USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 846 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 12 HIS : no HE2:sc= 0.00618 K(o=-1.2,f=-7.7!) USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 103 CYS SG : rot -179:sc= -1.25 USER MOD Set 2.1: A 13 SER OG : rot 59:sc= 0.592 USER MOD Set 2.2: A 100 CYS SG : rot 26:sc= 0.519 USER MOD Set 3.1: A 14 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 3.2: A 92 ASN : amide:sc= -0.971 X(o=-4.1,f=-4.3!) USER MOD Set 3.3: A 97 GLN : amide:sc= -0.657 K(o=-4.1,f=-3!) USER MOD Set 3.4: A 99 GLN : amide:sc= -2.49! K(o=-4.1!,f=-1.6) USER MOD Set 4.1: A 10 SER OG : rot -61:sc= -0.566 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -3.51 K(o=-0.39,f=-1.1!) USER MOD Set 4.3: A 53 MET CE :methyl 165:sc= -0.127 (180deg=-0.563) USER MOD Set 4.4: A 71 TYR OH : rot 44:sc= 1.18 USER MOD Set 4.5: A 85 THR OG1 : rot 39:sc= 2.2 USER MOD Set 4.6: A 105 ASN : amide:sc= 0.443 X(o=-0.39,f=0.092) USER MOD Set 5.1: A 56 SER OG : rot -154:sc= -0.184 USER MOD Set 5.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 16 MET CE :methyl 162:sc= -2.11! (180deg=-2.55!) USER MOD Set 6.2: A 57 HIS : no HD1:sc= -0.016 K(o=-2.1,f=-2.7) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0367) USER MOD Single : A 7 THR OG1 : rot -126:sc= 0.785 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0.401 (180deg=0.198) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -27:sc= -3.27! USER MOD Single : A 26 THR OG1 : rot -87:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 32 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-1.8) USER MOD Single : A 40 SER OG : rot 73:sc= 1.38 USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 SER OG : rot 79:sc= 0.361 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 54 THR OG1 : rot 66:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= 1.28 (180deg=-0.292) USER MOD Single : A 58 GLN : amide:sc= -0.03 K(o=-0.03,f=-0.55) USER MOD Single : A 59 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.62) USER MOD Single : A 61 CYS SG : rot -24:sc= 0.0943 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0903 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.926 K(o=-0.93,f=-1.5) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 73 MET CE :methyl -139:sc= -0.151 (180deg=-0.627) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0907) USER MOD Single : A 77 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.19) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0849 USER MOD Single : A 86 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 91 TYR OH : rot -9:sc= 0.327 USER MOD Single : A 95 ASN : amide:sc= -0.0634 K(o=-0.063,f=-2.1!) USER MOD Single : A 102 MET CE :methyl 157:sc= -0.191 (180deg=-0.963) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.353 6.124 -9.787 1.00 0.74 N ATOM 61 CA LYS A 6 -8.952 6.490 -8.433 1.00 0.49 C ATOM 62 C LYS A 6 -7.683 5.747 -8.029 1.00 0.39 C ATOM 63 O LYS A 6 -7.726 4.659 -7.458 1.00 0.48 O ATOM 64 CB LYS A 6 -10.078 6.230 -7.426 1.00 0.68 C ATOM 65 CG LYS A 6 -11.271 7.160 -7.593 1.00 0.95 C ATOM 66 CD LYS A 6 -12.376 6.831 -6.603 1.00 1.62 C ATOM 67 CE LYS A 6 -13.465 7.894 -6.601 1.00 2.01 C ATOM 68 NZ LYS A 6 -14.108 8.051 -7.935 1.00 2.61 N ATOM 0 HA LYS A 6 -8.743 7.560 -8.426 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -10.415 5.198 -7.529 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.683 6.337 -6.416 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -10.951 8.193 -7.453 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.656 7.081 -8.610 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -12.812 5.864 -6.853 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.953 6.741 -5.602 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -14.224 7.632 -5.864 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.037 8.848 -6.292 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.908 8.711 -7.859 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.414 8.425 -8.613 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -14.452 7.127 -8.266 1.00 2.61 H new ATOM 82 N THR A 7 -6.550 6.345 -8.349 1.00 0.30 N ATOM 83 CA THR A 7 -5.262 5.753 -8.061 1.00 0.27 C ATOM 84 C THR A 7 -4.386 6.757 -7.325 1.00 0.21 C ATOM 85 O THR A 7 -4.261 7.906 -7.747 1.00 0.22 O ATOM 86 CB THR A 7 -4.566 5.305 -9.361 1.00 0.33 C ATOM 87 OG1 THR A 7 -5.391 4.357 -10.053 1.00 0.43 O ATOM 88 CG2 THR A 7 -3.209 4.681 -9.076 1.00 0.34 C ATOM 0 H THR A 7 -6.499 7.251 -8.814 1.00 0.30 H new ATOM 0 HA THR A 7 -5.416 4.877 -7.431 1.00 0.27 H new ATOM 0 HB THR A 7 -4.414 6.188 -9.982 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.872 3.547 -10.239 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.745 4.376 -10.014 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.571 5.410 -8.576 1.00 0.34 H new ATOM 0 HG23 THR A 7 -3.337 3.809 -8.434 1.00 0.34 H new ATOM 96 N PHE A 8 -3.787 6.336 -6.222 1.00 0.19 N ATOM 97 CA PHE A 8 -2.981 7.246 -5.429 1.00 0.18 C ATOM 98 C PHE A 8 -1.616 6.629 -5.115 1.00 0.19 C ATOM 99 O PHE A 8 -1.503 5.424 -4.865 1.00 0.22 O ATOM 100 CB PHE A 8 -3.730 7.658 -4.148 1.00 0.21 C ATOM 101 CG PHE A 8 -3.591 6.713 -2.987 1.00 0.23 C ATOM 102 CD1 PHE A 8 -4.286 5.518 -2.978 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.756 7.005 -1.919 1.00 0.27 C ATOM 104 CE1 PHE A 8 -4.161 4.634 -1.930 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.624 6.120 -0.865 1.00 0.36 C ATOM 106 CZ PHE A 8 -3.336 5.003 -0.814 1.00 0.40 C ATOM 0 H PHE A 8 -3.843 5.384 -5.861 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.803 8.150 -6.011 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.374 8.641 -3.839 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.789 7.763 -4.384 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.936 5.274 -3.805 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.203 7.933 -1.910 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.673 3.683 -1.947 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.929 6.343 -0.069 1.00 0.36 H new ATOM 0 HZ PHE A 8 -3.296 4.373 0.063 1.00 0.40 H new ATOM 116 N LEU A 9 -0.583 7.461 -5.166 1.00 0.18 N ATOM 117 CA LEU A 9 0.788 7.027 -4.919 1.00 0.20 C ATOM 118 C LEU A 9 1.029 6.864 -3.418 1.00 0.20 C ATOM 119 O LEU A 9 0.411 7.543 -2.602 1.00 0.33 O ATOM 120 CB LEU A 9 1.755 8.059 -5.534 1.00 0.22 C ATOM 121 CG LEU A 9 3.224 7.628 -5.709 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.013 7.791 -4.420 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.307 6.192 -6.206 1.00 0.37 C ATOM 0 H LEU A 9 -0.671 8.455 -5.379 1.00 0.18 H new ATOM 0 HA LEU A 9 0.963 6.057 -5.385 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.368 8.345 -6.512 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.737 8.953 -4.911 1.00 0.22 H new ATOM 0 HG LEU A 9 3.671 8.283 -6.457 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.044 7.477 -4.582 1.00 0.30 H new ATOM 0 HD12 LEU A 9 3.996 8.837 -4.113 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.565 7.176 -3.639 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.353 5.907 -6.323 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.829 5.529 -5.485 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.799 6.110 -7.167 1.00 0.37 H new ATOM 135 N SER A 10 1.900 5.942 -3.055 1.00 0.32 N ATOM 136 CA SER A 10 2.234 5.714 -1.662 1.00 0.32 C ATOM 137 C SER A 10 3.687 5.297 -1.518 1.00 0.28 C ATOM 138 O SER A 10 4.323 4.882 -2.488 1.00 0.29 O ATOM 139 CB SER A 10 1.340 4.628 -1.077 1.00 0.41 C ATOM 140 OG SER A 10 -0.021 4.985 -1.181 1.00 1.10 O ATOM 0 H SER A 10 2.392 5.335 -3.710 1.00 0.32 H new ATOM 0 HA SER A 10 2.077 6.647 -1.121 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.514 3.688 -1.600 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.598 4.464 -0.031 1.00 0.41 H new ATOM 0 HG SER A 10 -0.183 5.809 -0.676 1.00 1.10 H new ATOM 146 N ARG A 11 4.194 5.386 -0.299 1.00 0.28 N ATOM 147 CA ARG A 11 5.549 4.956 -0.013 1.00 0.30 C ATOM 148 C ARG A 11 5.631 4.323 1.356 1.00 0.21 C ATOM 149 O ARG A 11 4.902 4.687 2.274 1.00 0.21 O ATOM 150 CB ARG A 11 6.568 6.094 -0.088 1.00 0.51 C ATOM 151 CG ARG A 11 6.606 6.813 -1.421 1.00 0.99 C ATOM 152 CD ARG A 11 7.865 7.648 -1.552 1.00 1.00 C ATOM 153 NE ARG A 11 7.925 8.723 -0.561 1.00 1.28 N ATOM 154 CZ ARG A 11 7.775 10.019 -0.853 1.00 1.70 C ATOM 155 NH1 ARG A 11 7.568 10.401 -2.106 1.00 1.99 N ATOM 156 NH2 ARG A 11 7.848 10.930 0.108 1.00 2.46 N ATOM 0 H ARG A 11 3.686 5.752 0.506 1.00 0.28 H new ATOM 0 HA ARG A 11 5.799 4.229 -0.785 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.344 6.818 0.695 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.559 5.692 0.123 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.561 6.086 -2.232 1.00 0.99 H new ATOM 0 HG3 ARG A 11 5.729 7.453 -1.518 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.738 7.005 -1.440 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.911 8.077 -2.553 1.00 1.00 H new ATOM 0 HE ARG A 11 8.092 8.468 0.412 1.00 1.28 H new ATOM 0 HH11 ARG A 11 7.523 9.705 -2.850 1.00 1.99 H new ATOM 0 HH12 ARG A 11 7.454 11.391 -2.325 1.00 1.99 H new ATOM 0 HH21 ARG A 11 8.019 10.642 1.072 1.00 2.46 H new ATOM 0 HH22 ARG A 11 7.733 11.918 -0.116 1.00 2.46 H new ATOM 170 N HIS A 12 6.495 3.343 1.457 1.00 0.25 N ATOM 171 CA HIS A 12 6.833 2.724 2.721 1.00 0.32 C ATOM 172 C HIS A 12 8.335 2.858 2.911 1.00 0.32 C ATOM 173 O HIS A 12 9.015 3.374 2.033 1.00 0.36 O ATOM 174 CB HIS A 12 6.450 1.239 2.731 1.00 0.36 C ATOM 175 CG HIS A 12 5.042 0.932 2.300 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.120 0.327 3.119 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.430 1.074 1.099 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.013 0.105 2.445 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.168 0.549 1.214 1.00 0.51 N ATOM 0 H HIS A 12 6.990 2.947 0.658 1.00 0.25 H new ATOM 0 HA HIS A 12 6.285 3.215 3.526 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.137 0.700 2.079 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.596 0.851 3.739 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.271 0.087 4.099 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.858 1.519 0.213 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.123 -0.364 2.836 1.00 0.86 H new ATOM 188 N SER A 13 8.852 2.420 4.037 1.00 0.32 N ATOM 189 CA SER A 13 10.296 2.365 4.218 1.00 0.35 C ATOM 190 C SER A 13 10.675 1.105 4.972 1.00 0.43 C ATOM 191 O SER A 13 10.016 0.764 5.951 1.00 0.91 O ATOM 192 CB SER A 13 10.799 3.601 4.967 1.00 0.68 C ATOM 193 OG SER A 13 12.217 3.644 5.000 1.00 1.70 O ATOM 0 H SER A 13 8.306 2.099 4.837 1.00 0.32 H new ATOM 0 HA SER A 13 10.767 2.348 3.235 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.417 4.501 4.485 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.410 3.595 5.985 1.00 0.68 H new ATOM 0 HG SER A 13 12.565 3.651 4.084 1.00 1.70 H new ATOM 199 N MET A 14 11.723 0.425 4.484 1.00 0.27 N ATOM 200 CA MET A 14 12.258 -0.813 5.079 1.00 0.36 C ATOM 201 C MET A 14 11.165 -1.784 5.530 1.00 0.33 C ATOM 202 O MET A 14 10.730 -2.661 4.780 1.00 0.40 O ATOM 203 CB MET A 14 13.155 -0.476 6.275 1.00 0.56 C ATOM 204 CG MET A 14 14.288 0.486 5.958 1.00 1.35 C ATOM 205 SD MET A 14 15.266 0.897 7.418 1.00 1.76 S ATOM 206 CE MET A 14 16.442 2.053 6.717 1.00 2.75 C ATOM 0 H MET A 14 12.232 0.723 3.652 1.00 0.27 H new ATOM 0 HA MET A 14 12.832 -1.309 4.296 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.540 -0.046 7.065 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.579 -1.400 6.668 1.00 0.56 H new ATOM 0 HG2 MET A 14 14.936 0.044 5.202 1.00 1.35 H new ATOM 0 HG3 MET A 14 13.877 1.400 5.530 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.368 2.022 7.291 1.00 2.75 H new ATOM 0 HE2 MET A 14 16.647 1.781 5.682 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.027 3.060 6.752 1.00 2.75 H new ATOM 216 N ASP A 15 10.728 -1.585 6.766 1.00 0.36 N ATOM 217 CA ASP A 15 9.735 -2.420 7.428 1.00 0.41 C ATOM 218 C ASP A 15 8.350 -2.312 6.789 1.00 0.34 C ATOM 219 O ASP A 15 7.431 -3.017 7.205 1.00 0.41 O ATOM 220 CB ASP A 15 9.649 -2.033 8.906 1.00 0.56 C ATOM 221 CG ASP A 15 9.524 -0.535 9.099 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.401 -0.001 9.003 1.00 1.49 O ATOM 223 OD2 ASP A 15 10.562 0.124 9.339 1.00 2.07 O ATOM 0 H ASP A 15 11.063 -0.819 7.351 1.00 0.36 H new ATOM 0 HA ASP A 15 10.058 -3.455 7.320 1.00 0.41 H new ATOM 0 HB2 ASP A 15 8.791 -2.529 9.360 1.00 0.56 H new ATOM 0 HB3 ASP A 15 10.537 -2.392 9.426 1.00 0.56 H new ATOM 228 N MET A 16 8.194 -1.406 5.815 1.00 0.29 N ATOM 229 CA MET A 16 6.976 -1.338 5.005 1.00 0.35 C ATOM 230 C MET A 16 5.798 -0.729 5.790 1.00 0.37 C ATOM 231 O MET A 16 4.638 -0.931 5.434 1.00 0.69 O ATOM 232 CB MET A 16 6.626 -2.756 4.486 1.00 0.49 C ATOM 233 CG MET A 16 5.400 -2.839 3.585 1.00 0.67 C ATOM 234 SD MET A 16 5.708 -2.280 1.899 1.00 0.73 S ATOM 235 CE MET A 16 6.760 -3.593 1.291 1.00 0.48 C ATOM 0 H MET A 16 8.899 -0.710 5.570 1.00 0.29 H new ATOM 0 HA MET A 16 7.161 -0.678 4.157 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.484 -3.146 3.939 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.470 -3.410 5.344 1.00 0.49 H new ATOM 0 HG2 MET A 16 5.047 -3.870 3.559 1.00 0.67 H new ATOM 0 HG3 MET A 16 4.599 -2.239 4.018 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.776 -3.571 0.201 1.00 0.48 H new ATOM 0 HE2 MET A 16 7.772 -3.454 1.672 1.00 0.48 H new ATOM 0 HE3 MET A 16 6.374 -4.555 1.629 1.00 0.48 H new ATOM 245 N LYS A 17 6.068 0.062 6.827 1.00 0.31 N ATOM 246 CA LYS A 17 4.961 0.589 7.626 1.00 0.31 C ATOM 247 C LYS A 17 4.105 1.605 6.840 1.00 0.27 C ATOM 248 O LYS A 17 2.924 1.377 6.679 1.00 0.29 O ATOM 249 CB LYS A 17 5.448 1.190 8.956 1.00 0.42 C ATOM 250 CG LYS A 17 6.377 2.383 8.825 1.00 0.59 C ATOM 251 CD LYS A 17 6.522 3.135 10.142 1.00 0.70 C ATOM 252 CE LYS A 17 7.193 2.291 11.218 1.00 0.98 C ATOM 253 NZ LYS A 17 8.588 1.931 10.856 1.00 1.40 N ATOM 0 H LYS A 17 7.002 0.344 7.126 1.00 0.31 H new ATOM 0 HA LYS A 17 4.321 -0.261 7.862 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.578 1.490 9.541 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.960 0.412 9.522 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.358 2.045 8.490 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.994 3.059 8.061 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.105 4.041 9.978 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.537 3.448 10.490 1.00 0.70 H new ATOM 0 HE2 LYS A 17 7.193 2.839 12.160 1.00 0.98 H new ATOM 0 HE3 LYS A 17 6.614 1.381 11.378 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 8.978 1.288 11.574 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.596 1.460 9.929 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 9.168 2.793 10.811 1.00 1.40 H new ATOM 267 N PHE A 18 4.720 2.684 6.347 1.00 0.29 N ATOM 268 CA PHE A 18 4.078 3.723 5.502 1.00 0.30 C ATOM 269 C PHE A 18 4.755 5.055 5.794 1.00 0.38 C ATOM 270 O PHE A 18 4.693 5.551 6.912 1.00 0.68 O ATOM 271 CB PHE A 18 2.558 3.889 5.734 1.00 0.27 C ATOM 272 CG PHE A 18 1.686 3.403 4.589 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.525 4.167 3.437 1.00 0.40 C ATOM 274 CD2 PHE A 18 1.012 2.185 4.669 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.722 3.725 2.402 1.00 0.46 C ATOM 276 CE2 PHE A 18 0.211 1.744 3.632 1.00 0.38 C ATOM 277 CZ PHE A 18 0.066 2.515 2.501 1.00 0.44 C ATOM 0 H PHE A 18 5.706 2.874 6.524 1.00 0.29 H new ATOM 0 HA PHE A 18 4.198 3.402 4.467 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.281 3.348 6.639 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.344 4.943 5.914 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.033 5.116 3.351 1.00 0.40 H new ATOM 0 HD2 PHE A 18 1.117 1.576 5.555 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.608 4.328 1.514 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.300 0.796 3.709 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.561 2.173 1.691 1.00 0.44 H new ATOM 287 N THR A 19 5.439 5.598 4.806 1.00 0.21 N ATOM 288 CA THR A 19 6.161 6.853 4.966 1.00 0.23 C ATOM 289 C THR A 19 5.585 7.961 4.088 1.00 0.22 C ATOM 290 O THR A 19 5.936 9.130 4.245 1.00 0.26 O ATOM 291 CB THR A 19 7.655 6.674 4.655 1.00 0.30 C ATOM 292 OG1 THR A 19 7.811 5.963 3.420 1.00 0.63 O ATOM 293 CG2 THR A 19 8.355 5.922 5.777 1.00 0.43 C ATOM 0 H THR A 19 5.512 5.188 3.875 1.00 0.21 H new ATOM 0 HA THR A 19 6.044 7.149 6.008 1.00 0.23 H new ATOM 0 HB THR A 19 8.110 7.660 4.566 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.765 5.852 3.225 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.411 5.807 5.534 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.255 6.481 6.707 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.901 4.938 5.894 1.00 0.43 H new ATOM 301 N TYR A 20 4.717 7.597 3.153 1.00 0.21 N ATOM 302 CA TYR A 20 4.041 8.594 2.327 1.00 0.23 C ATOM 303 C TYR A 20 2.722 8.067 1.791 1.00 0.21 C ATOM 304 O TYR A 20 2.597 6.886 1.457 1.00 0.22 O ATOM 305 CB TYR A 20 4.932 9.035 1.162 1.00 0.31 C ATOM 306 CG TYR A 20 4.249 9.953 0.171 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.217 11.325 0.384 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.639 9.452 -0.970 1.00 0.46 C ATOM 309 CE1 TYR A 20 3.601 12.173 -0.511 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.020 10.296 -1.872 1.00 0.57 C ATOM 311 CZ TYR A 20 2.988 11.621 -1.657 1.00 0.64 C ATOM 312 OH TYR A 20 2.391 12.499 -2.532 1.00 0.77 O ATOM 0 H TYR A 20 4.465 6.630 2.947 1.00 0.21 H new ATOM 0 HA TYR A 20 3.837 9.455 2.963 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.811 9.541 1.563 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.287 8.149 0.635 1.00 0.31 H new ATOM 0 HD1 TYR A 20 4.684 11.735 1.267 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.648 8.388 -1.156 1.00 0.46 H new ATOM 0 HE1 TYR A 20 3.587 13.239 -0.339 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.558 9.886 -2.758 1.00 0.57 H new ATOM 0 HH TYR A 20 2.005 12.001 -3.282 1.00 0.77 H new ATOM 322 N CYS A 21 1.752 8.964 1.706 1.00 0.19 N ATOM 323 CA CYS A 21 0.466 8.672 1.111 1.00 0.19 C ATOM 324 C CYS A 21 0.023 9.850 0.265 1.00 0.18 C ATOM 325 O CYS A 21 0.185 11.003 0.661 1.00 0.21 O ATOM 326 CB CYS A 21 -0.577 8.395 2.188 1.00 0.20 C ATOM 327 SG CYS A 21 -0.277 6.895 3.136 1.00 0.34 S ATOM 0 H CYS A 21 1.840 9.920 2.051 1.00 0.19 H new ATOM 0 HA CYS A 21 0.563 7.784 0.487 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.611 9.243 2.872 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.558 8.325 1.718 1.00 0.20 H new ATOM 0 HG CYS A 21 0.391 6.049 2.410 1.00 0.34 H new ATOM 333 N ASP A 22 -0.487 9.557 -0.912 1.00 0.17 N ATOM 334 CA ASP A 22 -1.045 10.588 -1.786 1.00 0.18 C ATOM 335 C ASP A 22 -2.311 11.173 -1.165 1.00 0.18 C ATOM 336 O ASP A 22 -2.994 10.506 -0.385 1.00 0.20 O ATOM 337 CB ASP A 22 -1.344 9.999 -3.167 1.00 0.20 C ATOM 338 CG ASP A 22 -1.729 11.039 -4.202 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.906 11.443 -4.237 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.855 11.437 -5.002 1.00 0.67 O ATOM 0 H ASP A 22 -0.531 8.612 -1.294 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.316 11.390 -1.902 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.467 9.456 -3.519 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.152 9.273 -3.076 1.00 0.20 H new ATOM 345 N ASP A 23 -2.630 12.410 -1.527 1.00 0.20 N ATOM 346 CA ASP A 23 -3.742 13.139 -0.910 1.00 0.23 C ATOM 347 C ASP A 23 -5.065 12.423 -1.151 1.00 0.21 C ATOM 348 O ASP A 23 -5.969 12.454 -0.314 1.00 0.23 O ATOM 349 CB ASP A 23 -3.816 14.562 -1.470 1.00 0.31 C ATOM 350 CG ASP A 23 -4.897 15.392 -0.807 1.00 1.33 C ATOM 351 OD1 ASP A 23 -6.051 15.380 -1.288 1.00 2.12 O ATOM 352 OD2 ASP A 23 -4.594 16.073 0.197 1.00 1.97 O ATOM 0 H ASP A 23 -2.134 12.935 -2.248 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.562 13.182 0.164 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -2.852 15.052 -1.335 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.004 14.517 -2.543 1.00 0.31 H new ATOM 357 N ARG A 24 -5.140 11.753 -2.291 1.00 0.20 N ATOM 358 CA ARG A 24 -6.337 11.047 -2.731 1.00 0.21 C ATOM 359 C ARG A 24 -6.812 9.999 -1.725 1.00 0.19 C ATOM 360 O ARG A 24 -7.980 9.602 -1.739 1.00 0.21 O ATOM 361 CB ARG A 24 -6.068 10.396 -4.080 1.00 0.24 C ATOM 362 CG ARG A 24 -5.923 11.398 -5.211 1.00 0.66 C ATOM 363 CD ARG A 24 -5.266 10.773 -6.426 1.00 1.23 C ATOM 364 NE ARG A 24 -5.104 11.729 -7.517 1.00 1.64 N ATOM 365 CZ ARG A 24 -3.983 12.411 -7.744 1.00 2.49 C ATOM 366 NH1 ARG A 24 -2.986 12.367 -6.869 1.00 3.22 N ATOM 367 NH2 ARG A 24 -3.876 13.173 -8.823 1.00 2.98 N ATOM 0 H ARG A 24 -4.362 11.683 -2.946 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.138 11.781 -2.817 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.158 9.800 -4.013 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.882 9.710 -4.314 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -6.905 11.784 -5.485 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.330 12.248 -4.872 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.291 10.375 -6.146 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -5.867 9.931 -6.769 1.00 1.23 H new ATOM 0 HE ARG A 24 -5.895 11.884 -8.142 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -3.077 11.810 -6.020 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -2.129 12.891 -7.046 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -4.653 13.238 -9.481 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -3.017 13.695 -8.996 1.00 2.98 H new ATOM 381 N ILE A 25 -5.916 9.543 -0.856 1.00 0.17 N ATOM 382 CA ILE A 25 -6.255 8.490 0.094 1.00 0.18 C ATOM 383 C ILE A 25 -7.392 8.930 1.023 1.00 0.19 C ATOM 384 O ILE A 25 -8.162 8.099 1.500 1.00 0.21 O ATOM 385 CB ILE A 25 -5.038 8.041 0.932 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.389 6.779 1.717 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.579 9.148 1.874 1.00 0.19 C ATOM 388 CD1 ILE A 25 -4.217 6.168 2.446 1.00 0.76 C ATOM 0 H ILE A 25 -4.957 9.883 -0.790 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.586 7.636 -0.497 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.213 7.822 0.254 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -6.170 7.017 2.439 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.804 6.040 1.032 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.721 8.803 2.451 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.296 10.026 1.293 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.391 9.408 2.553 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.545 5.276 2.980 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.443 5.897 1.728 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.815 6.889 3.157 1.00 0.76 H new ATOM 400 N THR A 26 -7.495 10.234 1.265 1.00 0.20 N ATOM 401 CA THR A 26 -8.600 10.790 2.046 1.00 0.22 C ATOM 402 C THR A 26 -9.947 10.358 1.473 1.00 0.25 C ATOM 403 O THR A 26 -10.906 10.112 2.205 1.00 0.31 O ATOM 404 CB THR A 26 -8.545 12.330 2.083 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.389 12.854 0.754 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.400 12.814 2.957 1.00 0.26 C ATOM 0 H THR A 26 -6.826 10.928 0.931 1.00 0.20 H new ATOM 0 HA THR A 26 -8.495 10.405 3.060 1.00 0.22 H new ATOM 0 HB THR A 26 -9.483 12.689 2.507 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.437 12.889 0.526 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.384 13.904 2.965 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.537 12.445 3.973 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.456 12.441 2.560 1.00 0.26 H new ATOM 414 N GLU A 27 -9.993 10.249 0.157 1.00 0.25 N ATOM 415 CA GLU A 27 -11.206 9.877 -0.544 1.00 0.30 C ATOM 416 C GLU A 27 -11.288 8.363 -0.727 1.00 0.33 C ATOM 417 O GLU A 27 -12.370 7.813 -0.925 1.00 0.43 O ATOM 418 CB GLU A 27 -11.224 10.558 -1.910 1.00 0.38 C ATOM 419 CG GLU A 27 -11.015 12.063 -1.845 1.00 0.55 C ATOM 420 CD GLU A 27 -10.773 12.670 -3.210 1.00 1.43 C ATOM 421 OE1 GLU A 27 -11.757 13.023 -3.892 1.00 1.63 O ATOM 422 OE2 GLU A 27 -9.598 12.781 -3.617 1.00 2.28 O ATOM 0 H GLU A 27 -9.193 10.416 -0.453 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.064 10.198 0.047 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.447 10.119 -2.535 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.178 10.353 -2.396 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -11.890 12.530 -1.393 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.166 12.282 -1.197 1.00 0.55 H new ATOM 429 N LEU A 28 -10.142 7.693 -0.653 1.00 0.27 N ATOM 430 CA LEU A 28 -10.069 6.272 -0.986 1.00 0.30 C ATOM 431 C LEU A 28 -10.127 5.367 0.250 1.00 0.31 C ATOM 432 O LEU A 28 -10.972 4.478 0.333 1.00 0.35 O ATOM 433 CB LEU A 28 -8.796 6.002 -1.788 1.00 0.30 C ATOM 434 CG LEU A 28 -8.663 6.842 -3.062 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.393 6.491 -3.814 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.882 6.653 -3.951 1.00 0.32 C ATOM 0 H LEU A 28 -9.255 8.107 -0.367 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.946 6.030 -1.586 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.932 6.191 -1.151 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.768 4.946 -2.058 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.603 7.891 -2.773 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.323 7.101 -4.714 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.529 6.682 -3.178 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.414 5.437 -4.091 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.772 7.256 -4.852 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.972 5.602 -4.227 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.777 6.965 -3.412 1.00 0.32 H new ATOM 448 N ILE A 29 -9.237 5.594 1.208 1.00 0.28 N ATOM 449 CA ILE A 29 -9.160 4.740 2.395 1.00 0.30 C ATOM 450 C ILE A 29 -9.709 5.487 3.615 1.00 0.29 C ATOM 451 O ILE A 29 -9.861 4.930 4.705 1.00 0.33 O ATOM 452 CB ILE A 29 -7.706 4.263 2.655 1.00 0.30 C ATOM 453 CG1 ILE A 29 -7.120 3.638 1.382 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.661 3.254 3.797 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.718 3.089 1.553 1.00 1.10 C ATOM 0 H ILE A 29 -8.560 6.357 1.190 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.770 3.854 2.217 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.108 5.130 2.937 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.776 2.833 1.050 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -7.111 4.389 0.592 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.632 2.935 3.960 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -8.046 3.716 4.706 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.273 2.389 3.542 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -5.376 2.665 0.609 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -5.047 3.893 1.854 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.722 2.313 2.319 1.00 1.10 H new ATOM 467 N GLY A 30 -10.041 6.751 3.403 1.00 0.27 N ATOM 468 CA GLY A 30 -10.653 7.559 4.439 1.00 0.29 C ATOM 469 C GLY A 30 -9.678 8.228 5.397 1.00 0.28 C ATOM 470 O GLY A 30 -10.037 9.218 6.030 1.00 0.32 O ATOM 0 H GLY A 30 -9.895 7.238 2.519 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.260 8.331 3.965 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.331 6.930 5.016 1.00 0.29 H new ATOM 474 N TYR A 31 -8.459 7.712 5.530 1.00 0.28 N ATOM 475 CA TYR A 31 -7.494 8.331 6.430 1.00 0.33 C ATOM 476 C TYR A 31 -6.840 9.532 5.774 1.00 0.34 C ATOM 477 O TYR A 31 -7.127 9.866 4.626 1.00 0.43 O ATOM 478 CB TYR A 31 -6.406 7.349 6.850 1.00 0.38 C ATOM 479 CG TYR A 31 -6.902 6.110 7.557 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.340 6.167 8.873 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.911 4.879 6.914 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.775 5.032 9.529 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.346 3.739 7.562 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.776 3.821 8.869 1.00 0.46 C ATOM 485 OH TYR A 31 -8.214 2.689 9.515 1.00 0.53 O ATOM 0 H TYR A 31 -8.122 6.885 5.037 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.046 8.648 7.315 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.850 7.045 5.963 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.704 7.866 7.504 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.341 7.114 9.392 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.572 4.812 5.891 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.112 5.093 10.553 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.349 2.789 7.048 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.151 1.921 8.909 1.00 0.53 H new ATOM 495 N HIS A 32 -5.940 10.168 6.500 1.00 0.31 N ATOM 496 CA HIS A 32 -5.168 11.269 5.958 1.00 0.34 C ATOM 497 C HIS A 32 -3.810 10.732 5.534 1.00 0.23 C ATOM 498 O HIS A 32 -3.321 9.780 6.132 1.00 0.23 O ATOM 499 CB HIS A 32 -4.985 12.359 7.024 1.00 0.52 C ATOM 500 CG HIS A 32 -5.137 13.755 6.506 1.00 0.68 C ATOM 501 ND1 HIS A 32 -4.106 14.671 6.457 1.00 1.52 N ATOM 502 CD2 HIS A 32 -6.224 14.392 6.021 1.00 1.52 C ATOM 503 CE1 HIS A 32 -4.559 15.808 5.958 1.00 1.90 C ATOM 504 NE2 HIS A 32 -5.841 15.665 5.687 1.00 1.89 N ATOM 0 H HIS A 32 -5.725 9.939 7.471 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.687 11.705 5.104 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.711 12.198 7.821 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -3.995 12.254 7.469 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -7.215 13.975 5.915 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -3.977 16.704 5.799 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.448 16.384 5.293 1.00 1.89 H new ATOM 513 N PRO A 33 -3.182 11.305 4.500 1.00 0.24 N ATOM 514 CA PRO A 33 -1.814 10.934 4.134 1.00 0.27 C ATOM 515 C PRO A 33 -0.901 11.005 5.347 1.00 0.25 C ATOM 516 O PRO A 33 -0.111 10.103 5.613 1.00 0.29 O ATOM 517 CB PRO A 33 -1.426 11.995 3.109 1.00 0.34 C ATOM 518 CG PRO A 33 -2.715 12.431 2.506 1.00 0.33 C ATOM 519 CD PRO A 33 -3.744 12.321 3.595 1.00 0.29 C ATOM 0 HA PRO A 33 -1.733 9.917 3.750 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.908 12.830 3.581 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.754 11.588 2.354 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.646 13.454 2.137 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.979 11.803 1.655 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.893 13.273 4.104 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.713 12.015 3.201 1.00 0.29 H new ATOM 527 N GLU A 34 -1.105 12.067 6.111 1.00 0.25 N ATOM 528 CA GLU A 34 -0.335 12.357 7.313 1.00 0.30 C ATOM 529 C GLU A 34 -0.689 11.371 8.418 1.00 0.28 C ATOM 530 O GLU A 34 0.050 11.213 9.388 1.00 0.32 O ATOM 531 CB GLU A 34 -0.654 13.773 7.780 1.00 0.37 C ATOM 532 CG GLU A 34 -0.749 14.773 6.644 1.00 1.01 C ATOM 533 CD GLU A 34 0.573 15.038 5.955 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.349 15.877 6.455 1.00 2.14 O ATOM 535 OE2 GLU A 34 0.825 14.425 4.900 1.00 2.13 O ATOM 0 H GLU A 34 -1.822 12.764 5.911 1.00 0.25 H new ATOM 0 HA GLU A 34 0.727 12.267 7.087 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.597 13.764 8.326 1.00 0.37 H new ATOM 0 HB3 GLU A 34 0.116 14.100 8.479 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.465 14.407 5.908 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.142 15.713 7.031 1.00 1.01 H new ATOM 542 N GLU A 35 -1.829 10.712 8.254 1.00 0.26 N ATOM 543 CA GLU A 35 -2.309 9.755 9.231 1.00 0.29 C ATOM 544 C GLU A 35 -1.614 8.423 9.044 1.00 0.29 C ATOM 545 O GLU A 35 -1.340 7.719 10.011 1.00 0.43 O ATOM 546 CB GLU A 35 -3.827 9.568 9.124 1.00 0.34 C ATOM 547 CG GLU A 35 -4.607 10.300 10.201 1.00 0.61 C ATOM 548 CD GLU A 35 -4.144 9.939 11.596 1.00 1.23 C ATOM 549 OE1 GLU A 35 -4.217 8.748 11.954 1.00 1.81 O ATOM 550 OE2 GLU A 35 -3.718 10.844 12.342 1.00 1.71 O ATOM 0 H GLU A 35 -2.440 10.827 7.445 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.080 10.145 10.223 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.160 9.916 8.146 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.058 8.504 9.179 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.503 11.375 10.054 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -5.667 10.065 10.101 1.00 0.61 H new ATOM 557 N LEU A 36 -1.324 8.076 7.798 1.00 0.27 N ATOM 558 CA LEU A 36 -0.672 6.811 7.526 1.00 0.29 C ATOM 559 C LEU A 36 0.834 6.948 7.623 1.00 0.32 C ATOM 560 O LEU A 36 1.504 6.094 8.200 1.00 0.46 O ATOM 561 CB LEU A 36 -1.037 6.235 6.166 1.00 0.29 C ATOM 562 CG LEU A 36 -2.422 5.615 6.076 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.451 6.669 5.733 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.438 4.487 5.056 1.00 0.29 C ATOM 0 H LEU A 36 -1.527 8.644 6.975 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.032 6.118 8.287 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.962 7.028 5.422 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.299 5.478 5.900 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.677 5.194 7.048 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.437 6.209 5.672 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.456 7.438 6.506 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.202 7.122 4.773 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.438 4.056 5.006 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.162 4.878 4.077 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.726 3.718 5.353 1.00 0.29 H new ATOM 576 N LEU A 37 1.367 8.020 7.033 1.00 0.41 N ATOM 577 CA LEU A 37 2.803 8.195 6.954 1.00 0.48 C ATOM 578 C LEU A 37 3.414 8.326 8.348 1.00 0.60 C ATOM 579 O LEU A 37 3.360 9.366 9.000 1.00 1.27 O ATOM 580 CB LEU A 37 3.183 9.348 5.992 1.00 0.76 C ATOM 581 CG LEU A 37 2.803 10.790 6.357 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.921 11.457 7.143 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.528 11.581 5.091 1.00 0.94 C ATOM 0 H LEU A 37 0.823 8.771 6.608 1.00 0.41 H new ATOM 0 HA LEU A 37 3.241 7.298 6.516 1.00 0.48 H new ATOM 0 HB2 LEU A 37 4.264 9.319 5.857 1.00 0.76 H new ATOM 0 HB3 LEU A 37 2.735 9.127 5.023 1.00 0.76 H new ATOM 0 HG LEU A 37 1.907 10.767 6.977 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.632 12.478 7.392 1.00 0.77 H new ATOM 0 HD12 LEU A 37 4.104 10.898 8.061 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.829 11.474 6.541 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.258 12.604 5.353 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.421 11.589 4.466 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.707 11.118 4.544 1.00 0.94 H new ATOM 595 N GLY A 38 3.914 7.203 8.829 1.00 0.31 N ATOM 596 CA GLY A 38 4.577 7.159 10.106 1.00 0.44 C ATOM 597 C GLY A 38 3.984 6.123 11.032 1.00 0.42 C ATOM 598 O GLY A 38 4.245 6.140 12.234 1.00 0.54 O ATOM 0 H GLY A 38 3.870 6.306 8.345 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.635 6.943 9.955 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.516 8.140 10.577 1.00 0.44 H new ATOM 602 N ARG A 39 3.187 5.210 10.485 1.00 0.34 N ATOM 603 CA ARG A 39 2.626 4.130 11.284 1.00 0.37 C ATOM 604 C ARG A 39 2.816 2.801 10.574 1.00 0.35 C ATOM 605 O ARG A 39 3.079 2.772 9.378 1.00 0.48 O ATOM 606 CB ARG A 39 1.139 4.356 11.515 1.00 0.48 C ATOM 607 CG ARG A 39 0.327 4.228 10.243 1.00 0.48 C ATOM 608 CD ARG A 39 -1.164 4.188 10.538 1.00 0.69 C ATOM 609 NE ARG A 39 -1.619 5.387 11.243 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.181 5.382 12.451 1.00 1.72 C ATOM 611 NH1 ARG A 39 -2.348 4.242 13.109 1.00 1.80 N ATOM 612 NH2 ARG A 39 -2.595 6.517 12.998 1.00 2.61 N ATOM 0 H ARG A 39 2.918 5.197 9.501 1.00 0.34 H new ATOM 0 HA ARG A 39 3.144 4.113 12.243 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.775 3.636 12.248 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.988 5.348 11.940 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.546 5.068 9.583 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.619 3.321 9.713 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.715 4.087 9.603 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.391 3.307 11.139 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.498 6.287 10.778 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.045 3.362 12.690 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -2.779 4.245 14.033 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.484 7.397 12.494 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.025 6.510 13.923 1.00 2.61 H new ATOM 626 N SER A 40 2.639 1.714 11.308 1.00 0.37 N ATOM 627 CA SER A 40 2.829 0.369 10.787 1.00 0.43 C ATOM 628 C SER A 40 1.623 -0.092 9.963 1.00 0.39 C ATOM 629 O SER A 40 0.525 -0.273 10.493 1.00 0.43 O ATOM 630 CB SER A 40 3.069 -0.576 11.963 1.00 0.57 C ATOM 631 OG SER A 40 2.693 0.050 13.185 1.00 1.23 O ATOM 0 H SER A 40 2.358 1.740 12.288 1.00 0.37 H new ATOM 0 HA SER A 40 3.690 0.363 10.119 1.00 0.43 H new ATOM 0 HB2 SER A 40 2.496 -1.493 11.825 1.00 0.57 H new ATOM 0 HB3 SER A 40 4.121 -0.861 12.001 1.00 0.57 H new ATOM 0 HG SER A 40 1.716 0.105 13.237 1.00 1.23 H new ATOM 637 N ALA A 41 1.847 -0.263 8.663 1.00 0.35 N ATOM 638 CA ALA A 41 0.812 -0.703 7.727 1.00 0.34 C ATOM 639 C ALA A 41 0.070 -1.925 8.225 1.00 0.33 C ATOM 640 O ALA A 41 -1.148 -1.945 8.227 1.00 0.33 O ATOM 641 CB ALA A 41 1.414 -1.019 6.367 1.00 0.35 C ATOM 0 H ALA A 41 2.754 -0.100 8.226 1.00 0.35 H new ATOM 0 HA ALA A 41 0.104 0.122 7.641 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.626 -1.344 5.687 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.894 -0.127 5.966 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.153 -1.813 6.472 1.00 0.35 H new ATOM 647 N TYR A 42 0.823 -2.927 8.665 1.00 0.37 N ATOM 648 CA TYR A 42 0.285 -4.253 8.983 1.00 0.42 C ATOM 649 C TYR A 42 -0.858 -4.234 10.010 1.00 0.47 C ATOM 650 O TYR A 42 -1.510 -5.254 10.221 1.00 0.55 O ATOM 651 CB TYR A 42 1.413 -5.167 9.460 1.00 0.47 C ATOM 652 CG TYR A 42 2.488 -5.385 8.416 1.00 0.54 C ATOM 653 CD1 TYR A 42 2.314 -6.314 7.398 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.671 -4.660 8.446 1.00 0.67 C ATOM 655 CE1 TYR A 42 3.290 -6.514 6.440 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.652 -4.854 7.491 1.00 0.84 C ATOM 657 CZ TYR A 42 4.455 -5.782 6.490 1.00 0.91 C ATOM 658 OH TYR A 42 5.432 -5.977 5.539 1.00 1.14 O ATOM 0 H TYR A 42 1.829 -2.846 8.813 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.151 -4.638 8.061 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.866 -4.738 10.354 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.994 -6.131 9.747 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.401 -6.889 7.354 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.828 -3.932 9.228 1.00 0.67 H new ATOM 0 HE1 TYR A 42 3.139 -7.241 5.656 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.567 -4.282 7.529 1.00 0.84 H new ATOM 0 HH TYR A 42 5.017 -6.255 4.696 1.00 1.14 H new ATOM 668 N GLU A 43 -1.096 -3.097 10.656 1.00 0.48 N ATOM 669 CA GLU A 43 -2.204 -2.976 11.600 1.00 0.56 C ATOM 670 C GLU A 43 -3.541 -2.784 10.864 1.00 0.57 C ATOM 671 O GLU A 43 -4.608 -2.751 11.481 1.00 1.01 O ATOM 672 CB GLU A 43 -1.945 -1.814 12.559 1.00 0.65 C ATOM 673 CG GLU A 43 -0.642 -1.956 13.327 1.00 0.95 C ATOM 674 CD GLU A 43 -0.397 -0.810 14.284 1.00 1.72 C ATOM 675 OE1 GLU A 43 0.054 0.262 13.831 1.00 2.57 O ATOM 676 OE2 GLU A 43 -0.654 -0.975 15.496 1.00 1.89 O ATOM 0 H GLU A 43 -0.540 -2.249 10.545 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.272 -3.901 12.173 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -1.928 -0.882 11.995 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -2.771 -1.743 13.266 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -0.655 -2.892 13.885 1.00 0.95 H new ATOM 0 HG3 GLU A 43 0.186 -2.017 12.621 1.00 0.95 H new ATOM 683 N PHE A 44 -3.464 -2.668 9.538 1.00 0.40 N ATOM 684 CA PHE A 44 -4.639 -2.469 8.685 1.00 0.38 C ATOM 685 C PHE A 44 -4.359 -2.955 7.266 1.00 0.30 C ATOM 686 O PHE A 44 -5.257 -3.014 6.424 1.00 0.40 O ATOM 687 CB PHE A 44 -5.040 -0.987 8.659 1.00 0.48 C ATOM 688 CG PHE A 44 -3.931 -0.053 8.249 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.071 0.483 9.196 1.00 0.50 C ATOM 690 CD2 PHE A 44 -3.750 0.291 6.919 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.054 1.340 8.821 1.00 0.56 C ATOM 692 CE2 PHE A 44 -2.736 1.146 6.540 1.00 0.77 C ATOM 693 CZ PHE A 44 -1.886 1.672 7.492 1.00 0.70 C ATOM 0 H PHE A 44 -2.584 -2.709 9.023 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.463 -3.050 9.100 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.878 -0.861 7.973 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.393 -0.701 9.650 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.198 0.228 10.238 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.412 -0.116 6.169 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.391 1.750 9.568 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.607 1.404 5.499 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.091 2.342 7.198 1.00 0.70 H new ATOM 703 N TYR A 45 -3.101 -3.276 7.008 1.00 0.29 N ATOM 704 CA TYR A 45 -2.639 -3.793 5.728 1.00 0.28 C ATOM 705 C TYR A 45 -3.219 -5.169 5.424 1.00 0.30 C ATOM 706 O TYR A 45 -2.496 -6.163 5.441 1.00 0.37 O ATOM 707 CB TYR A 45 -1.116 -3.896 5.774 1.00 0.34 C ATOM 708 CG TYR A 45 -0.420 -3.530 4.494 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.878 -2.487 3.707 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.715 -4.214 4.089 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.229 -2.133 2.543 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.377 -3.862 2.930 1.00 0.68 C ATOM 713 CZ TYR A 45 0.901 -2.823 2.158 1.00 0.68 C ATOM 714 OH TYR A 45 1.559 -2.468 1.003 1.00 0.85 O ATOM 0 H TYR A 45 -2.355 -3.182 7.698 1.00 0.29 H new ATOM 0 HA TYR A 45 -2.970 -3.113 4.943 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.746 -3.249 6.570 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.843 -4.917 6.040 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.759 -1.941 4.010 1.00 0.47 H new ATOM 0 HD2 TYR A 45 1.086 -5.033 4.688 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.603 -1.321 1.937 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.265 -4.398 2.629 1.00 0.68 H new ATOM 0 HH TYR A 45 2.335 -3.052 0.876 1.00 0.85 H new ATOM 724 N HIS A 46 -4.521 -5.201 5.158 1.00 0.28 N ATOM 725 CA HIS A 46 -5.234 -6.421 4.769 1.00 0.31 C ATOM 726 C HIS A 46 -5.382 -7.349 5.982 1.00 0.37 C ATOM 727 O HIS A 46 -4.415 -7.611 6.691 1.00 0.57 O ATOM 728 CB HIS A 46 -4.509 -7.161 3.624 1.00 0.37 C ATOM 729 CG HIS A 46 -3.820 -6.264 2.626 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.455 -6.064 2.622 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.309 -5.485 1.635 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.140 -5.199 1.679 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.244 -4.832 1.067 1.00 0.43 N ATOM 0 H HIS A 46 -5.119 -4.376 5.206 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.221 -6.132 4.408 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.769 -7.835 4.057 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.233 -7.780 3.095 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.345 -5.394 1.344 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.144 -4.851 1.448 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.300 -4.169 0.294 1.00 0.43 H new ATOM 742 N ALA A 47 -6.587 -7.837 6.240 1.00 0.39 N ATOM 743 CA ALA A 47 -6.789 -8.721 7.390 1.00 0.44 C ATOM 744 C ALA A 47 -6.441 -10.174 7.058 1.00 0.44 C ATOM 745 O ALA A 47 -5.509 -10.742 7.620 1.00 0.48 O ATOM 746 CB ALA A 47 -8.223 -8.625 7.886 1.00 0.57 C ATOM 0 H ALA A 47 -7.423 -7.645 5.688 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.114 -8.391 8.180 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.357 -9.288 8.741 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.437 -7.599 8.185 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.905 -8.919 7.088 1.00 0.57 H new ATOM 752 N LEU A 48 -7.185 -10.763 6.129 1.00 0.48 N ATOM 753 CA LEU A 48 -6.939 -12.139 5.697 1.00 0.53 C ATOM 754 C LEU A 48 -6.001 -12.176 4.497 1.00 0.48 C ATOM 755 O LEU A 48 -5.410 -13.206 4.182 1.00 0.52 O ATOM 756 CB LEU A 48 -8.259 -12.850 5.352 1.00 0.67 C ATOM 757 CG LEU A 48 -9.065 -12.253 4.187 1.00 0.76 C ATOM 758 CD1 LEU A 48 -10.062 -13.272 3.659 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.802 -10.990 4.616 1.00 0.99 C ATOM 0 H LEU A 48 -7.967 -10.309 5.657 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.464 -12.664 6.526 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -8.037 -13.891 5.117 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.890 -12.851 6.241 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.362 -11.990 3.396 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.626 -12.836 2.834 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.528 -14.155 3.307 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.748 -13.557 4.457 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.363 -10.591 3.771 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.489 -11.228 5.428 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.082 -10.246 4.957 1.00 0.99 H new ATOM 771 N ASP A 49 -5.863 -11.031 3.853 1.00 0.45 N ATOM 772 CA ASP A 49 -5.145 -10.919 2.586 1.00 0.45 C ATOM 773 C ASP A 49 -3.725 -10.380 2.811 1.00 0.41 C ATOM 774 O ASP A 49 -2.922 -10.246 1.885 1.00 0.49 O ATOM 775 CB ASP A 49 -5.969 -10.008 1.668 1.00 0.55 C ATOM 776 CG ASP A 49 -5.201 -9.451 0.497 1.00 0.91 C ATOM 777 OD1 ASP A 49 -5.041 -10.192 -0.492 1.00 1.07 O ATOM 778 OD2 ASP A 49 -4.732 -8.303 0.577 1.00 1.64 O ATOM 0 H ASP A 49 -6.245 -10.148 4.191 1.00 0.45 H new ATOM 0 HA ASP A 49 -5.028 -11.897 2.118 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -6.825 -10.568 1.293 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -6.363 -9.179 2.256 1.00 0.55 H new ATOM 783 N SER A 50 -3.411 -10.119 4.071 1.00 0.36 N ATOM 784 CA SER A 50 -2.102 -9.588 4.446 1.00 0.35 C ATOM 785 C SER A 50 -0.990 -10.540 4.008 1.00 0.35 C ATOM 786 O SER A 50 0.079 -10.100 3.590 1.00 0.41 O ATOM 787 CB SER A 50 -2.016 -9.353 5.951 1.00 0.37 C ATOM 788 OG SER A 50 -0.918 -8.524 6.286 1.00 1.25 O ATOM 0 H SER A 50 -4.045 -10.266 4.856 1.00 0.36 H new ATOM 0 HA SER A 50 -1.974 -8.633 3.937 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.940 -8.894 6.302 1.00 0.37 H new ATOM 0 HB3 SER A 50 -1.921 -10.310 6.465 1.00 0.37 H new ATOM 0 HG SER A 50 -1.146 -7.589 6.102 1.00 1.25 H new ATOM 794 N GLU A 51 -1.256 -11.842 4.096 1.00 0.38 N ATOM 795 CA GLU A 51 -0.289 -12.852 3.684 1.00 0.45 C ATOM 796 C GLU A 51 0.119 -12.650 2.231 1.00 0.43 C ATOM 797 O GLU A 51 1.301 -12.710 1.900 1.00 0.47 O ATOM 798 CB GLU A 51 -0.859 -14.261 3.856 1.00 0.55 C ATOM 799 CG GLU A 51 0.153 -15.355 3.553 1.00 1.32 C ATOM 800 CD GLU A 51 -0.473 -16.724 3.404 1.00 1.99 C ATOM 801 OE1 GLU A 51 -0.946 -17.281 4.415 1.00 2.68 O ATOM 802 OE2 GLU A 51 -0.478 -17.255 2.272 1.00 2.49 O ATOM 0 H GLU A 51 -2.135 -12.220 4.450 1.00 0.38 H new ATOM 0 HA GLU A 51 0.588 -12.743 4.322 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.218 -14.379 4.879 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -1.721 -14.380 3.200 1.00 0.55 H new ATOM 0 HG2 GLU A 51 0.685 -15.104 2.635 1.00 1.32 H new ATOM 0 HG3 GLU A 51 0.894 -15.387 4.352 1.00 1.32 H new ATOM 809 N ASN A 52 -0.860 -12.394 1.369 1.00 0.43 N ATOM 810 CA ASN A 52 -0.599 -12.196 -0.053 1.00 0.48 C ATOM 811 C ASN A 52 0.371 -11.041 -0.260 1.00 0.41 C ATOM 812 O ASN A 52 1.299 -11.130 -1.064 1.00 0.44 O ATOM 813 CB ASN A 52 -1.900 -11.933 -0.813 1.00 0.56 C ATOM 814 CG ASN A 52 -2.792 -13.157 -0.880 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.580 -13.419 0.029 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.686 -13.909 -1.967 1.00 1.31 N ATOM 0 H ASN A 52 -1.843 -12.319 1.631 1.00 0.43 H new ATOM 0 HA ASN A 52 -0.149 -13.108 -0.445 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -2.441 -11.119 -0.330 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.665 -11.603 -1.825 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -3.270 -14.739 -2.072 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -2.021 -13.658 -2.698 1.00 1.31 H new ATOM 823 N MET A 53 0.165 -9.964 0.485 1.00 0.35 N ATOM 824 CA MET A 53 1.073 -8.828 0.442 1.00 0.35 C ATOM 825 C MET A 53 2.386 -9.147 1.161 1.00 0.34 C ATOM 826 O MET A 53 3.434 -8.593 0.834 1.00 0.35 O ATOM 827 CB MET A 53 0.413 -7.602 1.064 1.00 0.42 C ATOM 828 CG MET A 53 1.284 -6.360 1.025 1.00 0.96 C ATOM 829 SD MET A 53 1.707 -5.841 -0.651 1.00 1.28 S ATOM 830 CE MET A 53 0.086 -5.543 -1.354 1.00 0.79 C ATOM 0 H MET A 53 -0.621 -9.854 1.125 1.00 0.35 H new ATOM 0 HA MET A 53 1.302 -8.615 -0.602 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.521 -7.397 0.541 1.00 0.42 H new ATOM 0 HB3 MET A 53 0.156 -7.824 2.100 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.766 -5.545 1.531 1.00 0.96 H new ATOM 0 HG3 MET A 53 2.201 -6.550 1.582 1.00 0.96 H new ATOM 0 HE1 MET A 53 0.189 -4.972 -2.277 1.00 0.79 H new ATOM 0 HE2 MET A 53 -0.398 -6.496 -1.569 1.00 0.79 H new ATOM 0 HE3 MET A 53 -0.520 -4.980 -0.645 1.00 0.79 H new ATOM 840 N THR A 54 2.330 -10.039 2.140 1.00 0.37 N ATOM 841 CA THR A 54 3.535 -10.502 2.811 1.00 0.45 C ATOM 842 C THR A 54 4.469 -11.164 1.798 1.00 0.45 C ATOM 843 O THR A 54 5.672 -10.902 1.789 1.00 0.48 O ATOM 844 CB THR A 54 3.204 -11.484 3.954 1.00 0.55 C ATOM 845 OG1 THR A 54 2.358 -10.838 4.916 1.00 0.57 O ATOM 846 CG2 THR A 54 4.469 -11.979 4.640 1.00 0.72 C ATOM 0 H THR A 54 1.465 -10.455 2.486 1.00 0.37 H new ATOM 0 HA THR A 54 4.032 -9.638 3.252 1.00 0.45 H new ATOM 0 HB THR A 54 2.689 -12.343 3.525 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.490 -10.640 4.507 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.203 -12.669 5.441 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.100 -12.492 3.914 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.012 -11.131 5.058 1.00 0.72 H new ATOM 854 N LYS A 55 3.895 -11.994 0.921 1.00 0.46 N ATOM 855 CA LYS A 55 4.647 -12.579 -0.191 1.00 0.52 C ATOM 856 C LYS A 55 5.261 -11.479 -1.045 1.00 0.41 C ATOM 857 O LYS A 55 6.375 -11.614 -1.540 1.00 0.42 O ATOM 858 CB LYS A 55 3.754 -13.466 -1.073 1.00 0.67 C ATOM 859 CG LYS A 55 3.575 -14.893 -0.573 1.00 0.95 C ATOM 860 CD LYS A 55 2.788 -14.946 0.721 1.00 1.14 C ATOM 861 CE LYS A 55 2.603 -16.374 1.211 1.00 1.37 C ATOM 862 NZ LYS A 55 1.521 -17.085 0.478 1.00 1.49 N ATOM 0 H LYS A 55 2.915 -12.274 0.960 1.00 0.46 H new ATOM 0 HA LYS A 55 5.434 -13.200 0.237 1.00 0.52 H new ATOM 0 HB2 LYS A 55 2.772 -13.000 -1.156 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.177 -13.499 -2.077 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.063 -15.482 -1.334 1.00 0.95 H new ATOM 0 HG3 LYS A 55 4.553 -15.350 -0.422 1.00 0.95 H new ATOM 0 HD2 LYS A 55 3.304 -14.364 1.484 1.00 1.14 H new ATOM 0 HD3 LYS A 55 1.812 -14.483 0.572 1.00 1.14 H new ATOM 0 HE2 LYS A 55 3.539 -16.921 1.093 1.00 1.37 H new ATOM 0 HE3 LYS A 55 2.372 -16.364 2.276 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 0.818 -17.441 1.157 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 1.061 -16.428 -0.184 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 1.927 -17.883 -0.051 1.00 1.49 H new ATOM 876 N SER A 56 4.530 -10.382 -1.196 1.00 0.36 N ATOM 877 CA SER A 56 4.995 -9.257 -1.993 1.00 0.34 C ATOM 878 C SER A 56 6.223 -8.618 -1.345 1.00 0.28 C ATOM 879 O SER A 56 7.179 -8.277 -2.032 1.00 0.28 O ATOM 880 CB SER A 56 3.873 -8.227 -2.166 1.00 0.39 C ATOM 881 OG SER A 56 4.217 -7.238 -3.120 1.00 1.26 O ATOM 0 H SER A 56 3.610 -10.248 -0.775 1.00 0.36 H new ATOM 0 HA SER A 56 5.280 -9.621 -2.980 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.959 -8.732 -2.478 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.663 -7.752 -1.208 1.00 0.39 H new ATOM 0 HG SER A 56 3.726 -6.412 -2.927 1.00 1.26 H new ATOM 887 N HIS A 57 6.210 -8.479 -0.020 1.00 0.29 N ATOM 888 CA HIS A 57 7.363 -7.929 0.694 1.00 0.30 C ATOM 889 C HIS A 57 8.557 -8.875 0.565 1.00 0.31 C ATOM 890 O HIS A 57 9.692 -8.431 0.409 1.00 0.34 O ATOM 891 CB HIS A 57 7.035 -7.681 2.176 1.00 0.35 C ATOM 892 CG HIS A 57 8.122 -6.961 2.936 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.509 -7.309 4.213 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.887 -5.887 2.600 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.457 -6.488 4.627 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.707 -5.617 3.670 1.00 0.39 N ATOM 0 H HIS A 57 5.423 -8.736 0.576 1.00 0.29 H new ATOM 0 HA HIS A 57 7.616 -6.969 0.243 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.115 -7.100 2.241 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.842 -8.639 2.659 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.856 -5.347 1.665 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.946 -6.524 5.589 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.396 -4.866 3.716 1.00 0.39 H new ATOM 905 N GLN A 58 8.286 -10.178 0.616 1.00 0.32 N ATOM 906 CA GLN A 58 9.330 -11.192 0.463 1.00 0.37 C ATOM 907 C GLN A 58 9.867 -11.198 -0.965 1.00 0.33 C ATOM 908 O GLN A 58 11.028 -11.527 -1.210 1.00 0.37 O ATOM 909 CB GLN A 58 8.787 -12.585 0.803 1.00 0.46 C ATOM 910 CG GLN A 58 8.160 -12.691 2.185 1.00 1.24 C ATOM 911 CD GLN A 58 9.130 -12.375 3.304 1.00 1.77 C ATOM 912 OE1 GLN A 58 10.337 -12.591 3.184 1.00 2.36 O ATOM 913 NE2 GLN A 58 8.607 -11.867 4.403 1.00 2.26 N ATOM 0 H GLN A 58 7.351 -10.558 0.762 1.00 0.32 H new ATOM 0 HA GLN A 58 10.138 -10.944 1.151 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.043 -12.865 0.057 1.00 0.46 H new ATOM 0 HB3 GLN A 58 9.600 -13.307 0.729 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.311 -12.010 2.245 1.00 1.24 H new ATOM 0 HG3 GLN A 58 7.770 -13.699 2.324 1.00 1.24 H new ATOM 0 HE21 GLN A 58 7.602 -11.704 4.461 1.00 2.26 H new ATOM 0 HE22 GLN A 58 9.208 -11.637 5.195 1.00 2.26 H new ATOM 922 N ASN A 59 9.014 -10.817 -1.903 1.00 0.28 N ATOM 923 CA ASN A 59 9.376 -10.805 -3.311 1.00 0.28 C ATOM 924 C ASN A 59 10.109 -9.518 -3.649 1.00 0.29 C ATOM 925 O ASN A 59 11.210 -9.534 -4.193 1.00 0.34 O ATOM 926 CB ASN A 59 8.123 -10.943 -4.184 1.00 0.30 C ATOM 927 CG ASN A 59 8.423 -10.845 -5.670 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.781 -11.834 -6.308 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.253 -9.656 -6.236 1.00 0.83 N ATOM 0 H ASN A 59 8.060 -10.510 -1.712 1.00 0.28 H new ATOM 0 HA ASN A 59 10.035 -11.650 -3.510 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.646 -11.901 -3.977 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.409 -10.166 -3.911 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.420 -9.538 -7.235 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.955 -8.860 -5.672 1.00 0.83 H new ATOM 936 N LEU A 60 9.507 -8.408 -3.257 1.00 0.27 N ATOM 937 CA LEU A 60 9.971 -7.083 -3.631 1.00 0.28 C ATOM 938 C LEU A 60 11.313 -6.757 -2.976 1.00 0.34 C ATOM 939 O LEU A 60 12.084 -5.953 -3.498 1.00 0.43 O ATOM 940 CB LEU A 60 8.906 -6.056 -3.228 1.00 0.25 C ATOM 941 CG LEU A 60 9.173 -4.615 -3.645 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.409 -4.528 -5.136 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.009 -3.724 -3.237 1.00 0.33 C ATOM 0 H LEU A 60 8.676 -8.401 -2.666 1.00 0.27 H new ATOM 0 HA LEU A 60 10.125 -7.050 -4.709 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.952 -6.366 -3.655 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.795 -6.085 -2.144 1.00 0.25 H new ATOM 0 HG LEU A 60 10.072 -4.268 -3.136 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.598 -3.491 -5.415 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.271 -5.139 -5.404 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.528 -4.891 -5.666 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.213 -2.697 -3.541 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.097 -4.072 -3.722 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.882 -3.764 -2.155 1.00 0.33 H new ATOM 955 N CYS A 61 11.588 -7.410 -1.849 1.00 0.36 N ATOM 956 CA CYS A 61 12.795 -7.151 -1.067 1.00 0.48 C ATOM 957 C CYS A 61 14.070 -7.397 -1.874 1.00 0.58 C ATOM 958 O CYS A 61 15.115 -6.816 -1.576 1.00 0.92 O ATOM 959 CB CYS A 61 12.804 -8.024 0.192 1.00 0.54 C ATOM 960 SG CYS A 61 14.217 -7.742 1.288 1.00 1.20 S ATOM 0 H CYS A 61 10.984 -8.130 -1.453 1.00 0.36 H new ATOM 0 HA CYS A 61 12.779 -6.098 -0.787 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.885 -7.844 0.750 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.795 -9.072 -0.107 1.00 0.54 H new ATOM 0 HG CYS A 61 15.204 -7.243 0.604 1.00 1.20 H new ATOM 966 N THR A 62 13.982 -8.225 -2.912 1.00 0.54 N ATOM 967 CA THR A 62 15.161 -8.596 -3.682 1.00 0.76 C ATOM 968 C THR A 62 14.788 -8.828 -5.141 1.00 0.60 C ATOM 969 O THR A 62 15.399 -9.629 -5.850 1.00 0.82 O ATOM 970 CB THR A 62 15.833 -9.864 -3.099 1.00 1.11 C ATOM 971 OG1 THR A 62 15.782 -9.836 -1.664 1.00 1.27 O ATOM 972 CG2 THR A 62 17.287 -9.965 -3.542 1.00 1.45 C ATOM 0 H THR A 62 13.112 -8.648 -3.236 1.00 0.54 H new ATOM 0 HA THR A 62 15.874 -7.774 -3.622 1.00 0.76 H new ATOM 0 HB THR A 62 15.288 -10.731 -3.472 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.208 -10.643 -1.306 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.735 -10.864 -3.119 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.333 -10.014 -4.630 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.835 -9.089 -3.195 1.00 1.45 H new ATOM 980 N LYS A 63 13.786 -8.095 -5.588 1.00 0.50 N ATOM 981 CA LYS A 63 13.399 -8.097 -6.988 1.00 0.43 C ATOM 982 C LYS A 63 13.483 -6.685 -7.557 1.00 0.39 C ATOM 983 O LYS A 63 13.695 -6.498 -8.755 1.00 0.39 O ATOM 984 CB LYS A 63 11.983 -8.634 -7.154 1.00 0.45 C ATOM 985 CG LYS A 63 11.858 -10.146 -7.012 1.00 0.54 C ATOM 986 CD LYS A 63 12.146 -10.867 -8.317 1.00 0.68 C ATOM 987 CE LYS A 63 11.931 -12.366 -8.175 1.00 0.85 C ATOM 988 NZ LYS A 63 11.948 -13.059 -9.491 1.00 1.76 N ATOM 0 H LYS A 63 13.221 -7.485 -4.997 1.00 0.50 H new ATOM 0 HA LYS A 63 14.085 -8.746 -7.532 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.339 -8.158 -6.415 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.611 -8.342 -8.136 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.548 -10.496 -6.245 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.852 -10.396 -6.674 1.00 0.54 H new ATOM 0 HD2 LYS A 63 11.498 -10.477 -9.102 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.173 -10.672 -8.625 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.708 -12.785 -7.535 1.00 0.85 H new ATOM 0 HE3 LYS A 63 10.977 -12.550 -7.681 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 11.798 -14.078 -9.349 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 11.191 -12.678 -10.094 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 12.867 -12.906 -9.952 1.00 1.76 H new ATOM 1002 N GLY A 64 13.321 -5.690 -6.686 1.00 0.40 N ATOM 1003 CA GLY A 64 13.349 -4.305 -7.119 1.00 0.42 C ATOM 1004 C GLY A 64 12.059 -3.869 -7.787 1.00 0.37 C ATOM 1005 O GLY A 64 11.883 -2.693 -8.096 1.00 0.41 O ATOM 0 H GLY A 64 13.171 -5.821 -5.686 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.541 -3.664 -6.258 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.177 -4.163 -7.813 1.00 0.42 H new ATOM 1009 N GLN A 65 11.150 -4.812 -7.992 1.00 0.34 N ATOM 1010 CA GLN A 65 9.903 -4.538 -8.694 1.00 0.33 C ATOM 1011 C GLN A 65 8.912 -5.668 -8.417 1.00 0.34 C ATOM 1012 O GLN A 65 9.311 -6.826 -8.277 1.00 0.43 O ATOM 1013 CB GLN A 65 10.179 -4.400 -10.201 1.00 0.41 C ATOM 1014 CG GLN A 65 9.122 -3.618 -10.974 1.00 0.49 C ATOM 1015 CD GLN A 65 7.880 -4.425 -11.287 1.00 0.81 C ATOM 1016 OE1 GLN A 65 7.940 -5.645 -11.449 1.00 1.37 O ATOM 1017 NE2 GLN A 65 6.749 -3.750 -11.386 1.00 1.32 N ATOM 0 H GLN A 65 11.253 -5.778 -7.681 1.00 0.34 H new ATOM 0 HA GLN A 65 9.471 -3.602 -8.340 1.00 0.33 H new ATOM 0 HB2 GLN A 65 11.144 -3.912 -10.336 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.263 -5.397 -10.634 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.838 -2.739 -10.396 1.00 0.49 H new ATOM 0 HG3 GLN A 65 9.557 -3.260 -11.907 1.00 0.49 H new ATOM 0 HE21 GLN A 65 6.744 -2.740 -11.244 1.00 1.32 H new ATOM 0 HE22 GLN A 65 5.881 -4.239 -11.604 1.00 1.32 H new ATOM 1026 N VAL A 66 7.635 -5.329 -8.301 1.00 0.32 N ATOM 1027 CA VAL A 66 6.601 -6.319 -8.025 1.00 0.35 C ATOM 1028 C VAL A 66 5.249 -5.859 -8.572 1.00 0.33 C ATOM 1029 O VAL A 66 4.947 -4.665 -8.573 1.00 0.32 O ATOM 1030 CB VAL A 66 6.484 -6.593 -6.503 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.101 -5.336 -5.747 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.474 -7.683 -6.213 1.00 0.44 C ATOM 0 H VAL A 66 7.289 -4.374 -8.394 1.00 0.32 H new ATOM 0 HA VAL A 66 6.889 -7.244 -8.525 1.00 0.35 H new ATOM 0 HB VAL A 66 7.465 -6.925 -6.165 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.027 -5.560 -4.683 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.861 -4.571 -5.905 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.139 -4.972 -6.109 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.417 -7.850 -5.137 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.495 -7.381 -6.586 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.781 -8.605 -6.707 1.00 0.44 H new ATOM 1042 N VAL A 67 4.446 -6.797 -9.056 1.00 0.39 N ATOM 1043 CA VAL A 67 3.099 -6.476 -9.508 1.00 0.45 C ATOM 1044 C VAL A 67 2.072 -7.357 -8.800 1.00 0.49 C ATOM 1045 O VAL A 67 1.793 -8.482 -9.222 1.00 0.92 O ATOM 1046 CB VAL A 67 2.946 -6.630 -11.040 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.532 -6.274 -11.484 1.00 0.91 C ATOM 1048 CG2 VAL A 67 3.964 -5.768 -11.771 1.00 1.16 C ATOM 0 H VAL A 67 4.702 -7.780 -9.145 1.00 0.39 H new ATOM 0 HA VAL A 67 2.920 -5.431 -9.256 1.00 0.45 H new ATOM 0 HB VAL A 67 3.131 -7.674 -11.293 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.450 -6.390 -12.565 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.819 -6.936 -10.993 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.315 -5.241 -11.213 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.839 -5.891 -12.847 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.812 -4.722 -11.505 1.00 1.16 H new ATOM 0 HG23 VAL A 67 4.971 -6.073 -11.485 1.00 1.16 H new ATOM 1058 N SER A 68 1.555 -6.855 -7.689 1.00 0.52 N ATOM 1059 CA SER A 68 0.489 -7.527 -6.963 1.00 0.54 C ATOM 1060 C SER A 68 -0.862 -7.219 -7.598 1.00 0.53 C ATOM 1061 O SER A 68 -1.010 -6.204 -8.283 1.00 0.94 O ATOM 1062 CB SER A 68 0.514 -7.105 -5.495 1.00 0.58 C ATOM 1063 OG SER A 68 1.761 -7.435 -4.899 1.00 1.39 O ATOM 0 H SER A 68 1.860 -5.977 -7.268 1.00 0.52 H new ATOM 0 HA SER A 68 0.646 -8.604 -7.015 1.00 0.54 H new ATOM 0 HB2 SER A 68 0.341 -6.032 -5.417 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.294 -7.599 -4.956 1.00 0.58 H new ATOM 0 HG SER A 68 1.759 -7.156 -3.960 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.840 -8.087 -7.375 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.148 -7.878 -7.938 1.00 0.43 C ATOM 1071 C GLY A 69 -4.107 -7.331 -6.912 1.00 0.38 C ATOM 1072 O GLY A 69 -3.683 -6.857 -5.862 1.00 0.42 O ATOM 0 H GLY A 69 -1.745 -8.932 -6.812 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.078 -7.187 -8.778 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.531 -8.820 -8.331 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.390 -7.375 -7.235 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.447 -6.978 -6.329 1.00 0.43 C ATOM 1078 C GLN A 70 -6.310 -7.658 -4.962 1.00 0.35 C ATOM 1079 O GLN A 70 -6.455 -8.874 -4.840 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.782 -7.357 -6.949 1.00 0.62 C ATOM 1081 CG GLN A 70 -7.936 -6.912 -8.386 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.309 -7.217 -8.939 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.294 -7.254 -8.203 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.386 -7.435 -10.237 1.00 1.31 N ATOM 0 H GLN A 70 -5.726 -7.691 -8.144 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.382 -5.902 -6.171 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -7.901 -8.439 -6.899 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.585 -6.920 -6.355 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.750 -5.840 -8.454 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.182 -7.406 -8.999 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -8.544 -7.395 -10.812 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.287 -7.644 -10.666 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.007 -6.856 -3.955 1.00 0.35 N ATOM 1094 CA TYR A 71 -5.930 -7.309 -2.573 1.00 0.36 C ATOM 1095 C TYR A 71 -7.027 -6.639 -1.758 1.00 0.32 C ATOM 1096 O TYR A 71 -7.692 -5.727 -2.250 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.554 -6.972 -1.981 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.076 -5.578 -2.317 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -4.580 -4.452 -1.671 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.139 -5.392 -3.316 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.153 -3.181 -2.017 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.719 -4.133 -3.672 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.224 -3.030 -3.024 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.811 -1.771 -3.409 1.00 0.68 O ATOM 0 H TYR A 71 -5.805 -5.863 -4.073 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.066 -8.390 -2.542 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -4.597 -7.081 -0.897 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -3.824 -7.695 -2.345 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -5.315 -4.572 -0.889 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.730 -6.252 -3.826 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -4.544 -2.316 -1.502 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.992 -4.010 -4.461 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.644 -1.224 -2.613 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.205 -7.063 -0.516 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.246 -6.489 0.331 1.00 0.33 C ATOM 1116 C ARG A 72 -7.640 -5.495 1.315 1.00 0.27 C ATOM 1117 O ARG A 72 -7.057 -5.908 2.317 1.00 0.28 O ATOM 1118 CB ARG A 72 -8.970 -7.579 1.131 1.00 0.43 C ATOM 1119 CG ARG A 72 -9.656 -8.647 0.296 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.456 -9.592 1.185 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.107 -10.661 0.428 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.406 -10.676 0.127 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -13.204 -9.714 0.568 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.906 -11.669 -0.601 1.00 1.52 N ATOM 0 H ARG A 72 -6.650 -7.795 -0.073 1.00 0.36 H new ATOM 0 HA ARG A 72 -8.958 -5.985 -0.323 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.249 -8.063 1.790 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -9.716 -7.104 1.769 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.317 -8.178 -0.433 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -8.911 -9.211 -0.266 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -9.793 -10.032 1.931 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.212 -9.023 1.726 1.00 1.06 H new ATOM 0 HE ARG A 72 -10.533 -11.442 0.111 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -12.825 -8.959 1.140 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -14.197 -9.729 0.336 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -12.296 -12.418 -0.929 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -13.899 -11.682 -0.832 1.00 1.52 H new ATOM 1138 N MET A 73 -7.794 -4.194 1.076 1.00 0.26 N ATOM 1139 CA MET A 73 -7.207 -3.224 2.002 1.00 0.26 C ATOM 1140 C MET A 73 -8.266 -2.695 2.958 1.00 0.23 C ATOM 1141 O MET A 73 -9.402 -2.439 2.557 1.00 0.24 O ATOM 1142 CB MET A 73 -6.554 -2.049 1.286 1.00 0.30 C ATOM 1143 CG MET A 73 -5.763 -1.154 2.233 1.00 0.35 C ATOM 1144 SD MET A 73 -3.995 -1.505 2.211 1.00 0.77 S ATOM 1145 CE MET A 73 -3.382 -0.106 3.147 1.00 0.60 C ATOM 0 H MET A 73 -8.298 -3.797 0.283 1.00 0.26 H new ATOM 0 HA MET A 73 -6.431 -3.754 2.553 1.00 0.26 H new ATOM 0 HB2 MET A 73 -5.890 -2.426 0.508 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.323 -1.457 0.790 1.00 0.30 H new ATOM 0 HG2 MET A 73 -5.925 -0.111 1.961 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.142 -1.281 3.247 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.469 0.270 2.684 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.135 0.682 3.158 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.169 -0.418 4.169 1.00 0.60 H new ATOM 1155 N LEU A 74 -7.890 -2.565 4.224 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.778 -2.036 5.249 1.00 0.25 C ATOM 1157 C LEU A 74 -8.967 -0.533 5.099 1.00 0.33 C ATOM 1158 O LEU A 74 -7.998 0.223 5.060 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.219 -2.334 6.635 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.170 -2.087 7.803 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.749 -3.404 8.279 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.453 -1.379 8.940 1.00 0.42 C ATOM 0 H LEU A 74 -6.965 -2.822 4.567 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.746 -2.522 5.128 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.904 -3.377 6.662 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.326 -1.727 6.784 1.00 0.24 H new ATOM 0 HG LEU A 74 -9.982 -1.444 7.464 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.427 -3.223 9.113 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.295 -3.877 7.463 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -8.942 -4.060 8.604 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.149 -1.213 9.762 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.623 -1.995 9.286 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.071 -0.420 8.589 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.215 -0.121 5.004 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.564 1.287 5.021 1.00 0.26 C ATOM 1176 C ALA A 75 -10.759 1.764 6.448 1.00 0.31 C ATOM 1177 O ALA A 75 -10.882 0.959 7.372 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.816 1.541 4.193 1.00 0.29 C ATOM 0 H ALA A 75 -11.014 -0.749 4.913 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.744 1.852 4.577 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.060 2.603 4.219 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.639 1.235 3.162 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.647 0.967 4.604 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.792 3.078 6.592 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.898 3.762 7.878 1.00 0.30 C ATOM 1186 C LYS A 76 -11.890 3.109 8.846 1.00 0.33 C ATOM 1187 O LYS A 76 -11.605 2.956 10.030 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.332 5.199 7.607 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.150 6.124 8.783 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.536 7.552 8.427 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.030 7.681 8.139 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.855 7.471 9.357 1.00 1.23 N ATOM 0 H LYS A 76 -10.745 3.719 5.800 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.923 3.708 8.362 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.764 5.586 6.761 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.382 5.202 7.314 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.759 5.778 9.618 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.111 6.097 9.113 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.265 8.217 9.247 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.968 7.875 7.554 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.235 8.670 7.729 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.316 6.955 7.378 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.842 7.732 9.157 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.812 6.470 9.637 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.490 8.063 10.130 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.035 2.712 8.333 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.128 2.214 9.168 1.00 0.62 C ATOM 1208 C HIS A 77 -14.171 0.690 9.184 1.00 0.69 C ATOM 1209 O HIS A 77 -15.237 0.085 9.310 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.470 2.805 8.713 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.521 3.204 7.267 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.122 2.451 6.284 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.034 4.301 6.645 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.001 3.072 5.124 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.346 4.193 5.321 1.00 0.69 N ATOM 0 H HIS A 77 -13.242 2.722 7.334 1.00 0.44 H new ATOM 0 HA HIS A 77 -13.943 2.541 10.191 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.256 2.074 8.902 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.693 3.679 9.325 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.497 5.114 7.111 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.377 2.718 4.175 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.108 4.874 4.600 1.00 0.69 H new ATOM 1224 N GLY A 78 -12.999 0.080 9.068 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.907 -1.368 9.034 1.00 0.72 C ATOM 1226 C GLY A 78 -13.419 -1.930 7.728 1.00 0.76 C ATOM 1227 O GLY A 78 -13.780 -3.103 7.638 1.00 1.31 O ATOM 0 H GLY A 78 -12.105 0.565 8.996 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.870 -1.670 9.179 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.480 -1.789 9.861 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.462 -1.070 6.724 1.00 0.37 N ATOM 1232 CA GLY A 79 -13.955 -1.458 5.420 1.00 0.37 C ATOM 1233 C GLY A 79 -12.931 -2.250 4.648 1.00 0.28 C ATOM 1234 O GLY A 79 -11.785 -2.364 5.071 1.00 0.29 O ATOM 0 H GLY A 79 -13.160 -0.098 6.791 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.862 -2.052 5.536 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.227 -0.567 4.854 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.335 -2.798 3.520 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.426 -3.560 2.685 1.00 0.21 C ATOM 1240 C TYR A 80 -12.625 -3.206 1.227 1.00 0.22 C ATOM 1241 O TYR A 80 -13.724 -3.319 0.696 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.615 -5.061 2.906 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.122 -5.514 4.256 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.762 -5.574 4.520 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.006 -5.858 5.269 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.293 -5.966 5.754 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.546 -6.249 6.510 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.189 -6.302 6.747 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.725 -6.684 7.984 1.00 0.38 O ATOM 0 H TYR A 80 -14.287 -2.730 3.159 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.405 -3.302 2.967 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.672 -5.309 2.807 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.085 -5.609 2.127 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.059 -5.309 3.745 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.069 -5.819 5.083 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.231 -6.010 5.943 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.245 -6.512 7.291 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.484 -6.886 8.570 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.564 -2.748 0.599 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.602 -2.387 -0.806 1.00 0.28 C ATOM 1261 C VAL A 81 -10.537 -3.160 -1.565 1.00 0.26 C ATOM 1262 O VAL A 81 -9.485 -3.476 -1.009 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.402 -0.865 -1.010 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.700 -0.118 -0.759 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.313 -0.337 -0.089 1.00 0.30 C ATOM 0 H VAL A 81 -10.655 -2.615 1.042 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.587 -2.646 -1.194 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.095 -0.701 -2.043 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.540 0.950 -0.907 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.463 -0.470 -1.454 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.031 -0.297 0.264 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.189 0.734 -0.249 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.594 -0.519 0.948 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.374 -0.847 -0.305 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.820 -3.498 -2.812 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.866 -4.234 -3.629 1.00 0.29 C ATOM 1277 C TRP A 82 -8.994 -3.290 -4.425 1.00 0.28 C ATOM 1278 O TRP A 82 -9.488 -2.471 -5.200 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.567 -5.187 -4.584 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.240 -6.334 -3.904 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.463 -6.326 -3.301 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.723 -7.660 -3.755 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.750 -7.574 -2.807 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.695 -8.410 -3.068 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.535 -8.292 -4.139 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.516 -9.752 -2.764 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.361 -9.625 -3.828 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.347 -10.342 -3.148 1.00 0.52 C ATOM 0 H TRP A 82 -11.699 -3.276 -3.280 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.245 -4.813 -2.946 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.308 -4.631 -5.158 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -9.838 -5.575 -5.295 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.110 -5.465 -3.224 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.609 -7.837 -2.324 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -8.768 -7.746 -4.669 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.277 -10.311 -2.240 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.446 -10.122 -4.116 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.181 -11.385 -2.921 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.695 -3.420 -4.240 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.746 -2.547 -4.900 1.00 0.28 C ATOM 1301 C LEU A 83 -5.610 -3.338 -5.508 1.00 0.29 C ATOM 1302 O LEU A 83 -5.413 -4.493 -5.172 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.180 -1.526 -3.909 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.172 -0.571 -3.258 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.621 -1.121 -1.923 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.544 0.803 -3.086 1.00 0.40 C ATOM 0 H LEU A 83 -7.272 -4.125 -3.636 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.276 -2.025 -5.697 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.665 -2.071 -3.118 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.428 -0.932 -4.428 1.00 0.28 H new ATOM 0 HG LEU A 83 -8.044 -0.472 -3.904 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.330 -0.431 -1.465 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.100 -2.089 -2.071 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.757 -1.240 -1.269 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.263 1.476 -2.620 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.660 0.722 -2.454 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.258 1.197 -4.061 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.866 -2.706 -6.399 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.727 -3.342 -7.032 1.00 0.34 C ATOM 1320 C GLU A 84 -2.466 -2.532 -6.758 1.00 0.35 C ATOM 1321 O GLU A 84 -2.485 -1.305 -6.841 1.00 0.39 O ATOM 1322 CB GLU A 84 -3.970 -3.460 -8.533 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.756 -4.860 -9.067 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.087 -4.976 -10.537 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.355 -4.390 -11.364 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.079 -5.655 -10.877 1.00 0.88 O ATOM 0 H GLU A 84 -5.033 -1.746 -6.701 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.596 -4.343 -6.620 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -4.990 -3.146 -8.754 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.305 -2.773 -9.057 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.718 -5.151 -8.908 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.373 -5.559 -8.503 1.00 0.59 H new ATOM 1333 N THR A 85 -1.378 -3.216 -6.434 1.00 0.36 N ATOM 1334 CA THR A 85 -0.129 -2.546 -6.111 1.00 0.37 C ATOM 1335 C THR A 85 0.898 -2.754 -7.194 1.00 0.32 C ATOM 1336 O THR A 85 1.381 -3.867 -7.424 1.00 0.43 O ATOM 1337 CB THR A 85 0.468 -3.020 -4.760 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.317 -2.542 -3.668 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.902 -2.539 -4.582 1.00 0.60 C ATOM 0 H THR A 85 -1.336 -4.234 -6.388 1.00 0.36 H new ATOM 0 HA THR A 85 -0.372 -1.487 -6.029 1.00 0.37 H new ATOM 0 HB THR A 85 0.460 -4.110 -4.773 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.267 -2.580 -3.907 1.00 0.68 H new ATOM 0 HG21 THR A 85 2.287 -2.890 -3.625 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.521 -2.933 -5.388 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.926 -1.450 -4.605 1.00 0.60 H new ATOM 1347 N GLN A 86 1.212 -1.674 -7.869 1.00 0.29 N ATOM 1348 CA GLN A 86 2.399 -1.634 -8.679 1.00 0.35 C ATOM 1349 C GLN A 86 3.559 -1.287 -7.760 1.00 0.28 C ATOM 1350 O GLN A 86 3.749 -0.125 -7.395 1.00 0.30 O ATOM 1351 CB GLN A 86 2.285 -0.605 -9.796 1.00 0.50 C ATOM 1352 CG GLN A 86 3.545 -0.529 -10.625 1.00 0.70 C ATOM 1353 CD GLN A 86 3.673 0.772 -11.383 1.00 1.06 C ATOM 1354 OE1 GLN A 86 3.211 0.900 -12.514 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.312 1.746 -10.762 1.00 1.15 N ATOM 0 H GLN A 86 0.662 -0.815 -7.872 1.00 0.29 H new ATOM 0 HA GLN A 86 2.551 -2.601 -9.159 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.443 -0.860 -10.439 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.074 0.374 -9.367 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.410 -0.651 -9.973 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.559 -1.358 -11.332 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.680 1.597 -9.822 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.438 2.648 -11.222 1.00 1.15 H new ATOM 1364 N GLY A 87 4.307 -2.299 -7.358 1.00 0.27 N ATOM 1365 CA GLY A 87 5.282 -2.115 -6.311 1.00 0.26 C ATOM 1366 C GLY A 87 6.694 -2.011 -6.826 1.00 0.24 C ATOM 1367 O GLY A 87 7.058 -2.628 -7.828 1.00 0.27 O ATOM 0 H GLY A 87 4.256 -3.244 -7.738 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.039 -1.212 -5.752 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.217 -2.949 -5.613 1.00 0.26 H new ATOM 1371 N THR A 88 7.478 -1.209 -6.144 1.00 0.23 N ATOM 1372 CA THR A 88 8.873 -0.997 -6.481 1.00 0.22 C ATOM 1373 C THR A 88 9.655 -0.598 -5.236 1.00 0.25 C ATOM 1374 O THR A 88 9.351 0.417 -4.618 1.00 0.36 O ATOM 1375 CB THR A 88 9.027 0.107 -7.553 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.285 -0.246 -8.730 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.490 0.314 -7.916 1.00 0.24 C ATOM 0 H THR A 88 7.166 -0.678 -5.331 1.00 0.23 H new ATOM 0 HA THR A 88 9.266 -1.931 -6.882 1.00 0.22 H new ATOM 0 HB THR A 88 8.637 1.038 -7.140 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.386 0.458 -9.404 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.570 1.095 -8.672 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.047 0.610 -7.027 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.902 -0.615 -8.310 1.00 0.24 H new ATOM 1385 N VAL A 89 10.642 -1.387 -4.844 1.00 0.28 N ATOM 1386 CA VAL A 89 11.496 -0.991 -3.738 1.00 0.31 C ATOM 1387 C VAL A 89 12.608 -0.101 -4.247 1.00 0.30 C ATOM 1388 O VAL A 89 13.455 -0.519 -5.035 1.00 0.34 O ATOM 1389 CB VAL A 89 12.088 -2.193 -2.956 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.367 -1.801 -2.227 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.082 -2.714 -1.948 1.00 0.56 C ATOM 0 H VAL A 89 10.869 -2.288 -5.266 1.00 0.28 H new ATOM 0 HA VAL A 89 10.868 -0.446 -3.033 1.00 0.31 H new ATOM 0 HB VAL A 89 12.321 -2.973 -3.680 1.00 0.42 H new ATOM 0 HG11 VAL A 89 13.758 -2.664 -1.688 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.107 -1.459 -2.950 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.152 -0.999 -1.520 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.512 -3.557 -1.407 1.00 0.56 H new ATOM 0 HG22 VAL A 89 10.829 -1.922 -1.243 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.180 -3.038 -2.468 1.00 0.56 H new ATOM 1401 N ILE A 90 12.563 1.139 -3.821 1.00 0.27 N ATOM 1402 CA ILE A 90 13.596 2.077 -4.147 1.00 0.30 C ATOM 1403 C ILE A 90 14.745 1.884 -3.168 1.00 0.34 C ATOM 1404 O ILE A 90 14.605 2.093 -1.963 1.00 0.41 O ATOM 1405 CB ILE A 90 13.057 3.529 -4.138 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.093 4.502 -4.688 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.626 3.958 -2.755 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.558 5.901 -4.883 1.00 0.78 C ATOM 0 H ILE A 90 11.813 1.518 -3.243 1.00 0.27 H new ATOM 0 HA ILE A 90 13.958 1.897 -5.159 1.00 0.30 H new ATOM 0 HB ILE A 90 12.181 3.547 -4.786 1.00 0.32 H new ATOM 0 HG12 ILE A 90 14.944 4.538 -4.008 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.463 4.126 -5.642 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.254 4.982 -2.791 1.00 0.73 H new ATOM 0 HG22 ILE A 90 11.836 3.297 -2.399 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.477 3.905 -2.076 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.348 6.541 -5.277 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.726 5.877 -5.586 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.214 6.296 -3.927 1.00 0.78 H new ATOM 1420 N TYR A 91 15.850 1.381 -3.667 1.00 0.36 N ATOM 1421 CA TYR A 91 16.994 1.130 -2.821 1.00 0.42 C ATOM 1422 C TYR A 91 17.836 2.383 -2.687 1.00 0.48 C ATOM 1423 O TYR A 91 17.810 3.254 -3.557 1.00 0.58 O ATOM 1424 CB TYR A 91 17.857 0.002 -3.366 1.00 0.51 C ATOM 1425 CG TYR A 91 17.149 -1.327 -3.523 1.00 0.43 C ATOM 1426 CD1 TYR A 91 17.120 -2.254 -2.486 1.00 0.55 C ATOM 1427 CD2 TYR A 91 16.492 -1.646 -4.706 1.00 0.45 C ATOM 1428 CE1 TYR A 91 16.457 -3.460 -2.627 1.00 0.76 C ATOM 1429 CE2 TYR A 91 15.830 -2.849 -4.853 1.00 0.61 C ATOM 1430 CZ TYR A 91 15.879 -3.788 -3.808 1.00 0.79 C ATOM 1431 OH TYR A 91 15.149 -4.954 -3.955 1.00 1.06 O ATOM 0 H TYR A 91 15.981 1.139 -4.649 1.00 0.36 H new ATOM 0 HA TYR A 91 16.615 0.834 -1.843 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.252 0.303 -4.336 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.711 -0.135 -2.703 1.00 0.51 H new ATOM 0 HD1 TYR A 91 17.623 -2.029 -1.557 1.00 0.55 H new ATOM 0 HD2 TYR A 91 16.499 -0.941 -5.524 1.00 0.45 H new ATOM 0 HE1 TYR A 91 16.400 -4.143 -1.792 1.00 0.76 H new ATOM 0 HE2 TYR A 91 15.282 -3.065 -5.758 1.00 0.61 H new ATOM 0 HH TYR A 91 15.259 -5.512 -3.157 1.00 1.06 H new ATOM 1441 N ASN A 92 18.561 2.478 -1.587 1.00 0.57 N ATOM 1442 CA ASN A 92 19.492 3.574 -1.390 1.00 0.71 C ATOM 1443 C ASN A 92 20.602 3.480 -2.416 1.00 0.69 C ATOM 1444 O ASN A 92 21.061 2.398 -2.725 1.00 0.63 O ATOM 1445 CB ASN A 92 20.104 3.528 0.007 1.00 0.83 C ATOM 1446 CG ASN A 92 19.712 4.709 0.869 1.00 1.09 C ATOM 1447 OD1 ASN A 92 18.746 4.646 1.620 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.463 5.793 0.764 1.00 1.50 N ATOM 0 H ASN A 92 18.523 1.810 -0.817 1.00 0.57 H new ATOM 0 HA ASN A 92 18.947 4.511 -1.503 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.795 2.607 0.502 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.190 3.495 -0.080 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.246 6.619 1.321 1.00 1.50 H new ATOM 0 HD22 ASN A 92 21.259 5.802 0.126 1.00 1.50 H new ATOM 1455 N PRO A 93 21.026 4.596 -2.977 1.00 0.84 N ATOM 1456 CA PRO A 93 22.145 4.610 -3.915 1.00 0.91 C ATOM 1457 C PRO A 93 23.447 4.110 -3.295 1.00 0.96 C ATOM 1458 O PRO A 93 24.095 3.212 -3.834 1.00 1.00 O ATOM 1459 CB PRO A 93 22.279 6.080 -4.302 1.00 1.13 C ATOM 1460 CG PRO A 93 20.978 6.711 -3.936 1.00 1.23 C ATOM 1461 CD PRO A 93 20.430 5.916 -2.782 1.00 1.00 C ATOM 0 HA PRO A 93 21.960 3.945 -4.759 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.106 6.551 -3.771 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.481 6.188 -5.368 1.00 1.13 H new ATOM 0 HG2 PRO A 93 21.118 7.755 -3.657 1.00 1.23 H new ATOM 0 HG3 PRO A 93 20.288 6.696 -4.780 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.714 6.349 -1.823 1.00 1.00 H new ATOM 0 HD3 PRO A 93 19.341 5.874 -2.802 1.00 1.00 H new ATOM 1469 N ARG A 94 23.821 4.679 -2.154 1.00 1.03 N ATOM 1470 CA ARG A 94 25.105 4.365 -1.541 1.00 1.13 C ATOM 1471 C ARG A 94 25.084 3.027 -0.811 1.00 1.04 C ATOM 1472 O ARG A 94 26.003 2.222 -0.952 1.00 1.16 O ATOM 1473 CB ARG A 94 25.524 5.460 -0.573 1.00 1.37 C ATOM 1474 CG ARG A 94 25.621 6.837 -1.196 1.00 1.93 C ATOM 1475 CD ARG A 94 26.139 7.852 -0.195 1.00 2.43 C ATOM 1476 NE ARG A 94 25.721 7.538 1.171 1.00 3.09 N ATOM 1477 CZ ARG A 94 24.958 8.331 1.921 1.00 3.87 C ATOM 1478 NH1 ARG A 94 24.518 9.491 1.444 1.00 4.14 N ATOM 1479 NH2 ARG A 94 24.626 7.961 3.150 1.00 4.77 N ATOM 0 H ARG A 94 23.257 5.355 -1.639 1.00 1.03 H new ATOM 0 HA ARG A 94 25.829 4.297 -2.353 1.00 1.13 H new ATOM 0 HB2 ARG A 94 24.809 5.495 0.249 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.491 5.199 -0.144 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.284 6.803 -2.061 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.640 7.146 -1.558 1.00 1.93 H new ATOM 0 HD2 ARG A 94 27.227 7.885 -0.242 1.00 2.43 H new ATOM 0 HD3 ARG A 94 25.778 8.844 -0.465 1.00 2.43 H new ATOM 0 HE ARG A 94 26.034 6.655 1.575 1.00 3.09 H new ATOM 0 HH11 ARG A 94 24.764 9.779 0.497 1.00 4.14 H new ATOM 0 HH12 ARG A 94 23.934 10.093 2.025 1.00 4.14 H new ATOM 0 HH21 ARG A 94 24.955 7.069 3.521 1.00 4.77 H new ATOM 0 HH22 ARG A 94 24.042 8.568 3.725 1.00 4.77 H new ATOM 1493 N ASN A 95 24.035 2.781 -0.041 1.00 0.99 N ATOM 1494 CA ASN A 95 23.981 1.586 0.801 1.00 1.00 C ATOM 1495 C ASN A 95 23.236 0.462 0.095 1.00 0.85 C ATOM 1496 O ASN A 95 23.350 -0.706 0.469 1.00 0.92 O ATOM 1497 CB ASN A 95 23.308 1.889 2.145 1.00 1.15 C ATOM 1498 CG ASN A 95 24.122 2.823 3.027 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.823 3.712 2.541 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.047 2.616 4.332 1.00 1.99 N ATOM 0 H ASN A 95 23.215 3.384 0.022 1.00 0.99 H new ATOM 0 HA ASN A 95 25.007 1.268 0.988 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.330 2.334 1.962 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.138 0.953 2.678 1.00 1.15 H new ATOM 0 HD21 ASN A 95 24.581 3.203 4.973 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.455 1.870 4.697 1.00 1.99 H new ATOM 1507 N LEU A 96 22.484 0.842 -0.934 1.00 0.72 N ATOM 1508 CA LEU A 96 21.669 -0.076 -1.739 1.00 0.63 C ATOM 1509 C LEU A 96 20.761 -0.995 -0.916 1.00 0.64 C ATOM 1510 O LEU A 96 20.252 -1.993 -1.424 1.00 0.67 O ATOM 1511 CB LEU A 96 22.563 -0.868 -2.688 1.00 0.74 C ATOM 1512 CG LEU A 96 23.133 -0.050 -3.849 1.00 0.86 C ATOM 1513 CD1 LEU A 96 24.211 -0.823 -4.583 1.00 1.22 C ATOM 1514 CD2 LEU A 96 22.027 0.352 -4.814 1.00 1.76 C ATOM 0 H LEU A 96 22.420 1.813 -1.241 1.00 0.72 H new ATOM 0 HA LEU A 96 20.983 0.542 -2.319 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.390 -1.294 -2.119 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.992 -1.703 -3.094 1.00 0.74 H new ATOM 0 HG LEU A 96 23.582 0.852 -3.433 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.598 -0.218 -5.403 1.00 1.22 H new ATOM 0 HD12 LEU A 96 25.021 -1.061 -3.894 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.790 -1.746 -4.981 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.452 0.933 -5.633 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.550 -0.543 -5.213 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.286 0.954 -4.288 1.00 1.76 H new ATOM 1526 N GLN A 97 20.549 -0.644 0.342 1.00 0.71 N ATOM 1527 CA GLN A 97 19.540 -1.295 1.160 1.00 0.76 C ATOM 1528 C GLN A 97 18.168 -0.738 0.782 1.00 0.64 C ATOM 1529 O GLN A 97 18.092 0.301 0.118 1.00 0.61 O ATOM 1530 CB GLN A 97 19.851 -1.073 2.648 1.00 0.94 C ATOM 1531 CG GLN A 97 19.815 0.383 3.088 1.00 1.21 C ATOM 1532 CD GLN A 97 18.439 0.824 3.552 1.00 2.02 C ATOM 1533 OE1 GLN A 97 17.671 0.031 4.096 1.00 2.29 O ATOM 1534 NE2 GLN A 97 18.114 2.085 3.327 1.00 2.81 N ATOM 0 H GLN A 97 21.066 0.093 0.821 1.00 0.71 H new ATOM 0 HA GLN A 97 19.541 -2.370 0.982 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.134 -1.638 3.244 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.838 -1.481 2.865 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.531 0.531 3.897 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.134 1.016 2.260 1.00 1.21 H new ATOM 0 HE21 GLN A 97 18.780 2.710 2.873 1.00 2.81 H new ATOM 0 HE22 GLN A 97 17.197 2.433 3.607 1.00 2.81 H new ATOM 1543 N PRO A 98 17.066 -1.406 1.169 1.00 0.62 N ATOM 1544 CA PRO A 98 15.718 -0.926 0.860 1.00 0.55 C ATOM 1545 C PRO A 98 15.453 0.452 1.463 1.00 0.55 C ATOM 1546 O PRO A 98 15.136 0.575 2.647 1.00 0.62 O ATOM 1547 CB PRO A 98 14.791 -1.979 1.477 1.00 0.60 C ATOM 1548 CG PRO A 98 15.631 -2.710 2.468 1.00 0.62 C ATOM 1549 CD PRO A 98 17.038 -2.666 1.933 1.00 0.72 C ATOM 0 HA PRO A 98 15.566 -0.806 -0.213 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.931 -1.513 1.958 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.402 -2.655 0.716 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.572 -2.241 3.450 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.290 -3.739 2.585 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.775 -2.667 2.736 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.256 -3.526 1.300 1.00 0.72 H new ATOM 1557 N GLN A 99 15.584 1.483 0.640 1.00 0.51 N ATOM 1558 CA GLN A 99 15.440 2.850 1.101 1.00 0.54 C ATOM 1559 C GLN A 99 13.979 3.137 1.374 1.00 0.50 C ATOM 1560 O GLN A 99 13.623 3.681 2.420 1.00 0.57 O ATOM 1561 CB GLN A 99 16.012 3.819 0.055 1.00 0.56 C ATOM 1562 CG GLN A 99 15.295 5.162 -0.042 1.00 0.72 C ATOM 1563 CD GLN A 99 15.654 6.151 1.059 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.634 7.363 0.840 1.00 1.73 O ATOM 1565 NE2 GLN A 99 15.969 5.658 2.246 1.00 1.32 N ATOM 0 H GLN A 99 15.791 1.394 -0.355 1.00 0.51 H new ATOM 0 HA GLN A 99 15.998 2.989 2.027 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.062 4.001 0.286 1.00 0.56 H new ATOM 0 HB3 GLN A 99 15.980 3.336 -0.922 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.525 5.613 -1.007 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.219 4.988 -0.020 1.00 0.72 H new ATOM 0 HE21 GLN A 99 15.976 4.649 2.394 1.00 1.32 H new ATOM 0 HE22 GLN A 99 16.205 6.287 3.013 1.00 1.32 H new ATOM 1574 N CYS A 100 13.136 2.720 0.449 1.00 0.43 N ATOM 1575 CA CYS A 100 11.711 2.973 0.539 1.00 0.41 C ATOM 1576 C CYS A 100 10.957 2.020 -0.381 1.00 0.35 C ATOM 1577 O CYS A 100 11.551 1.330 -1.207 1.00 0.39 O ATOM 1578 CB CYS A 100 11.385 4.428 0.162 1.00 0.45 C ATOM 1579 SG CYS A 100 11.832 5.660 1.408 1.00 0.64 S ATOM 0 H CYS A 100 13.418 2.199 -0.382 1.00 0.43 H new ATOM 0 HA CYS A 100 11.399 2.807 1.570 1.00 0.41 H new ATOM 0 HB2 CYS A 100 11.900 4.670 -0.768 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.316 4.505 -0.036 1.00 0.45 H new ATOM 0 HG CYS A 100 12.805 5.204 2.140 1.00 0.64 H new ATOM 1585 N ILE A 101 9.655 1.981 -0.215 1.00 0.29 N ATOM 1586 CA ILE A 101 8.783 1.208 -1.076 1.00 0.27 C ATOM 1587 C ILE A 101 7.859 2.164 -1.813 1.00 0.23 C ATOM 1588 O ILE A 101 7.254 3.030 -1.196 1.00 0.28 O ATOM 1589 CB ILE A 101 7.911 0.186 -0.295 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.749 -0.863 0.451 1.00 0.66 C ATOM 1591 CG2 ILE A 101 6.957 -0.521 -1.245 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.470 -0.351 1.680 1.00 0.73 C ATOM 0 H ILE A 101 9.166 2.486 0.524 1.00 0.29 H new ATOM 0 HA ILE A 101 9.417 0.644 -1.760 1.00 0.27 H new ATOM 0 HB ILE A 101 7.355 0.755 0.450 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.096 -1.684 0.747 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.486 -1.275 -0.239 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.351 -1.235 -0.687 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.307 0.213 -1.721 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.528 -1.049 -2.009 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.033 -1.165 2.137 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.154 0.448 1.394 1.00 0.73 H new ATOM 0 HD13 ILE A 101 8.742 0.033 2.395 1.00 0.73 H new ATOM 1604 N MET A 102 7.753 2.004 -3.113 1.00 0.22 N ATOM 1605 CA MET A 102 6.890 2.829 -3.928 1.00 0.23 C ATOM 1606 C MET A 102 5.685 2.006 -4.362 1.00 0.22 C ATOM 1607 O MET A 102 5.822 1.071 -5.151 1.00 0.24 O ATOM 1608 CB MET A 102 7.649 3.326 -5.161 1.00 0.30 C ATOM 1609 CG MET A 102 8.897 4.132 -4.837 1.00 0.69 C ATOM 1610 SD MET A 102 9.719 4.761 -6.314 1.00 1.47 S ATOM 1611 CE MET A 102 8.411 5.756 -7.028 1.00 1.81 C ATOM 0 H MET A 102 8.265 1.295 -3.637 1.00 0.22 H new ATOM 0 HA MET A 102 6.559 3.692 -3.350 1.00 0.23 H new ATOM 0 HB2 MET A 102 7.932 2.468 -5.771 1.00 0.30 H new ATOM 0 HB3 MET A 102 6.979 3.939 -5.764 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.628 4.968 -4.192 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.593 3.508 -4.276 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.845 6.512 -7.682 1.00 1.81 H new ATOM 0 HE2 MET A 102 7.742 5.118 -7.605 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.849 6.244 -6.232 1.00 1.81 H new ATOM 1621 N CYS A 103 4.520 2.319 -3.822 1.00 0.25 N ATOM 1622 CA CYS A 103 3.313 1.578 -4.153 1.00 0.26 C ATOM 1623 C CYS A 103 2.311 2.462 -4.872 1.00 0.27 C ATOM 1624 O CYS A 103 1.908 3.502 -4.358 1.00 0.32 O ATOM 1625 CB CYS A 103 2.664 1.013 -2.888 1.00 0.31 C ATOM 1626 SG CYS A 103 3.700 -0.152 -1.975 1.00 0.39 S ATOM 0 H CYS A 103 4.383 3.078 -3.155 1.00 0.25 H new ATOM 0 HA CYS A 103 3.602 0.759 -4.811 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.401 1.840 -2.229 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.734 0.516 -3.163 1.00 0.31 H new ATOM 0 HG CYS A 103 3.053 -0.585 -0.934 1.00 0.39 H new ATOM 1632 N VAL A 104 1.927 2.056 -6.067 1.00 0.27 N ATOM 1633 CA VAL A 104 0.837 2.707 -6.767 1.00 0.28 C ATOM 1634 C VAL A 104 -0.447 1.922 -6.509 1.00 0.29 C ATOM 1635 O VAL A 104 -0.550 0.760 -6.901 1.00 0.29 O ATOM 1636 CB VAL A 104 1.116 2.797 -8.283 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.016 3.564 -8.993 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.467 3.449 -8.536 1.00 0.34 C ATOM 0 H VAL A 104 2.353 1.279 -6.573 1.00 0.27 H new ATOM 0 HA VAL A 104 0.734 3.726 -6.395 1.00 0.28 H new ATOM 0 HB VAL A 104 1.136 1.784 -8.685 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.237 3.613 -10.059 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.937 3.057 -8.842 1.00 0.35 H new ATOM 0 HG13 VAL A 104 -0.043 4.574 -8.588 1.00 0.35 H new ATOM 0 HG21 VAL A 104 2.649 3.505 -9.609 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.471 4.454 -8.114 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.251 2.856 -8.066 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.409 2.550 -5.836 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.611 1.845 -5.384 1.00 0.30 C ATOM 1650 C ASN A 105 -3.793 2.088 -6.312 1.00 0.27 C ATOM 1651 O ASN A 105 -4.423 3.149 -6.280 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.987 2.247 -3.955 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.971 1.796 -2.923 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -2.056 0.692 -2.382 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -1.010 2.654 -2.633 1.00 0.63 N ATOM 0 H ASN A 105 -1.382 3.540 -5.592 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.374 0.781 -5.402 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -3.091 3.331 -3.904 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.960 1.822 -3.708 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.303 2.412 -1.939 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.975 3.558 -3.103 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.052 1.103 -7.157 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.203 1.129 -8.053 1.00 0.24 C ATOM 1664 C TYR A 106 -6.465 0.662 -7.339 1.00 0.25 C ATOM 1665 O TYR A 106 -6.631 -0.528 -7.075 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.950 0.250 -9.281 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.775 0.705 -10.111 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.932 1.662 -11.101 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.508 0.184 -9.894 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.858 2.089 -11.856 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.428 0.607 -10.640 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.608 1.561 -11.622 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.534 1.995 -12.363 1.00 0.48 O ATOM 0 H TYR A 106 -3.475 0.266 -7.243 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.347 2.160 -8.375 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.780 -0.776 -8.955 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.844 0.243 -9.904 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.910 2.081 -11.285 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.365 -0.565 -9.129 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -2.997 2.833 -12.626 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.447 0.194 -10.457 1.00 0.35 H new ATOM 0 HH TYR A 106 0.275 1.524 -12.073 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.335 1.609 -7.012 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.621 1.283 -6.405 1.00 0.28 C ATOM 1685 C VAL A 107 -9.537 0.664 -7.455 1.00 0.33 C ATOM 1686 O VAL A 107 -10.126 1.361 -8.284 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.311 2.515 -5.777 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.630 2.120 -5.128 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.399 3.181 -4.760 1.00 0.62 C ATOM 0 H VAL A 107 -7.175 2.606 -7.156 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.430 0.574 -5.599 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.519 3.230 -6.573 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.099 3.002 -4.692 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.292 1.691 -5.881 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.445 1.384 -4.346 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.904 4.046 -4.330 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.157 2.472 -3.969 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.481 3.504 -5.251 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.632 -0.651 -7.428 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.368 -1.382 -8.441 1.00 0.39 C ATOM 1701 C LEU A 108 -11.817 -1.582 -8.031 1.00 0.44 C ATOM 1702 O LEU A 108 -12.723 -0.990 -8.617 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.678 -2.720 -8.699 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.286 -2.596 -9.317 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.431 -3.787 -8.947 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.384 -2.472 -10.828 1.00 0.48 C ATOM 0 H LEU A 108 -9.206 -1.238 -6.711 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.374 -0.801 -9.363 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -9.598 -3.263 -7.757 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.305 -3.318 -9.360 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.817 -1.695 -8.922 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.444 -3.680 -9.397 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.332 -3.841 -7.863 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -7.900 -4.700 -9.314 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.383 -2.385 -11.252 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.874 -3.357 -11.235 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.965 -1.586 -11.083 1.00 0.48 H new ATOM 1718 N SER A 109 -12.041 -2.407 -7.023 1.00 0.44 N ATOM 1719 CA SER A 109 -13.385 -2.636 -6.530 1.00 0.54 C ATOM 1720 C SER A 109 -13.694 -1.695 -5.373 1.00 0.64 C ATOM 1721 O SER A 109 -12.788 -1.202 -4.698 1.00 0.93 O ATOM 1722 CB SER A 109 -13.549 -4.093 -6.102 1.00 0.64 C ATOM 1723 OG SER A 109 -13.264 -4.969 -7.183 1.00 1.46 O ATOM 0 H SER A 109 -11.313 -2.926 -6.533 1.00 0.44 H new ATOM 0 HA SER A 109 -14.093 -2.432 -7.333 1.00 0.54 H new ATOM 0 HB2 SER A 109 -12.883 -4.309 -5.267 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.567 -4.261 -5.750 1.00 0.64 H new ATOM 0 HG SER A 109 -13.373 -5.898 -6.889 1.00 1.46 H new ATOM 1729 N GLU A 110 -14.973 -1.456 -5.157 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.421 -0.527 -4.136 1.00 0.74 C ATOM 1731 C GLU A 110 -15.487 -1.215 -2.778 1.00 0.59 C ATOM 1732 O GLU A 110 -14.986 -2.329 -2.611 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.784 0.079 -4.512 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.884 -0.938 -4.797 1.00 1.46 C ATOM 1735 CD GLU A 110 -17.643 -1.745 -6.059 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -17.775 -1.186 -7.165 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -17.304 -2.943 -5.945 1.00 2.94 O ATOM 0 H GLU A 110 -15.728 -1.898 -5.681 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.698 0.286 -4.070 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.112 0.729 -3.701 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -16.655 0.708 -5.392 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.969 -1.618 -3.950 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.837 -0.417 -4.884 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.094 -0.545 -1.809 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.110 -1.031 -0.440 1.00 0.59 C ATOM 1746 C ILE A 111 -16.953 -2.291 -0.305 1.00 0.58 C ATOM 1747 O ILE A 111 -18.165 -2.278 -0.530 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.627 0.045 0.539 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -15.925 1.382 0.283 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.402 -0.403 1.978 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.463 2.524 1.119 1.00 0.89 C ATOM 0 H ILE A 111 -16.583 0.339 -1.948 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.078 -1.270 -0.182 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.696 0.179 0.376 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -14.860 1.267 0.484 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.024 1.638 -0.772 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.770 0.364 2.660 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -16.938 -1.335 2.157 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.337 -0.558 2.148 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -15.917 3.437 0.882 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.521 2.667 0.901 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.339 2.291 2.176 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.288 -3.373 0.052 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.940 -4.641 0.301 1.00 0.61 C ATOM 1765 C GLU A 112 -17.241 -4.752 1.790 1.00 0.64 C ATOM 1766 O GLU A 112 -16.486 -5.355 2.555 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.034 -5.787 -0.148 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.790 -7.038 -0.539 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.872 -8.205 -0.839 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.295 -8.238 -1.946 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -15.710 -9.089 0.027 1.00 1.56 O ATOM 0 H GLU A 112 -15.276 -3.396 0.178 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.871 -4.700 -0.263 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.435 -5.455 -0.996 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.341 -6.028 0.658 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -17.470 -7.314 0.267 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.403 -6.828 -1.416 1.00 1.14 H new