USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 67 MET CE :methyl -158:sc= -0.473 (180deg=-0.881) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.42 K(o=-1.9,f=-8.7!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 169:sc= 1.43 (180deg=-0.625!) USER MOD Set 2.2: A 39 ASN : amide:sc= 1.49 K(o=2.9,f=-6.8!) USER MOD Set 3.1: A 18 THR OG1 : rot -46:sc= 1.48 USER MOD Set 3.2: A 21 THR OG1 : rot 176:sc= 3.27 USER MOD Set 4.1: A 0 GLY N :NH3+ 160:sc= 2.98 (180deg=-0.0864!) USER MOD Set 4.2: A 6 TYR OH : rot 28:sc= 2.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 21:sc= 1.23 USER MOD Single : A 17 THR OG1 : rot -140:sc= 0.152 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -178:sc= -0.568! USER MOD Single : A 28 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.087) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 43 THR OG1 : rot -65:sc= -0.52! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 158:sc= -0.238 USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= 1.91 (180deg=0.177!) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.998 (180deg=-0.553) USER MOD Single : A 60 MET CE :methyl -153:sc= -3.47 (180deg=-5!) USER MOD Single : A 68 ASN : amide:sc= 0.435 K(o=0.43,f=-7!) USER MOD Single : A 76 ASN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.361 K(o=0.36,f=-0.25) USER MOD Single : A 83 GLN : amide:sc= 1.28 K(o=1.3,f=-5.2!) USER MOD Single : A 84 SER OG : rot -168:sc= -0.0152 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 12.360 2.886 -8.504 1.00 0.00 N ATOM 2 CA GLY A 0 13.062 3.102 -9.768 1.00 0.00 C ATOM 3 C GLY A 0 14.550 3.373 -9.583 1.00 0.00 C ATOM 4 O GLY A 0 15.098 4.243 -10.254 1.00 0.00 O ATOM 0 H1 GLY A 0 11.341 3.043 -8.641 1.00 0.00 H new ATOM 0 H2 GLY A 0 12.519 1.910 -8.181 1.00 0.00 H new ATOM 0 H3 GLY A 0 12.719 3.551 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 0 12.934 2.225 -10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 0 12.607 3.943 -10.291 1.00 0.00 H new ATOM 10 N MET A 1 15.188 2.621 -8.679 1.00 0.00 N ATOM 11 CA MET A 1 16.626 2.713 -8.374 1.00 0.00 C ATOM 12 C MET A 1 16.978 4.042 -7.678 1.00 0.00 C ATOM 13 O MET A 1 17.700 4.887 -8.226 1.00 0.00 O ATOM 14 CB MET A 1 17.512 2.451 -9.626 1.00 0.00 C ATOM 15 CG MET A 1 19.017 2.413 -9.359 1.00 0.00 C ATOM 16 SD MET A 1 19.511 1.054 -8.282 1.00 0.00 S ATOM 17 CE MET A 1 21.268 1.359 -8.146 1.00 0.00 C ATOM 0 H MET A 1 14.709 1.912 -8.123 1.00 0.00 H new ATOM 0 HA MET A 1 16.851 1.915 -7.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.214 1.502 -10.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.309 3.227 -10.364 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.546 2.327 -10.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.324 3.356 -8.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.721 0.600 -7.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.722 1.319 -9.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.434 2.344 -7.710 1.00 0.00 H new ATOM 27 N ALA A 2 16.408 4.238 -6.500 1.00 0.00 N ATOM 28 CA ALA A 2 16.659 5.415 -5.680 1.00 0.00 C ATOM 29 C ALA A 2 16.108 5.190 -4.287 1.00 0.00 C ATOM 30 O ALA A 2 14.928 4.994 -4.127 1.00 0.00 O ATOM 31 CB ALA A 2 16.007 6.658 -6.293 1.00 0.00 C ATOM 0 H ALA A 2 15.752 3.579 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 2 17.736 5.578 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.209 7.523 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.417 6.831 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.930 6.506 -6.366 1.00 0.00 H new ATOM 37 N GLU A 3 16.952 5.229 -3.291 1.00 0.00 N ATOM 38 CA GLU A 3 16.499 5.036 -1.932 1.00 0.00 C ATOM 39 C GLU A 3 15.950 6.342 -1.402 1.00 0.00 C ATOM 40 O GLU A 3 16.702 7.295 -1.158 1.00 0.00 O ATOM 41 CB GLU A 3 17.621 4.513 -1.030 1.00 0.00 C ATOM 42 CG GLU A 3 18.212 3.182 -1.478 1.00 0.00 C ATOM 43 CD GLU A 3 17.155 2.115 -1.695 1.00 0.00 C ATOM 44 OE1 GLU A 3 16.412 1.797 -0.744 1.00 0.00 O ATOM 45 OE2 GLU A 3 17.071 1.591 -2.804 1.00 0.00 O1- ATOM 0 H GLU A 3 17.954 5.392 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 3 15.713 4.281 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.417 5.257 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.236 4.404 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.769 3.330 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.924 2.835 -0.729 1.00 0.00 H new ATOM 52 N VAL A 4 14.654 6.394 -1.293 1.00 0.00 N ATOM 53 CA VAL A 4 13.934 7.566 -0.852 1.00 0.00 C ATOM 54 C VAL A 4 12.521 7.117 -0.469 1.00 0.00 C ATOM 55 O VAL A 4 12.133 5.985 -0.801 1.00 0.00 O ATOM 56 CB VAL A 4 13.892 8.634 -2.010 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.059 8.168 -3.204 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.449 10.011 -1.519 1.00 0.00 C ATOM 0 H VAL A 4 14.047 5.604 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 4 14.423 8.029 0.005 1.00 0.00 H new ATOM 0 HB VAL A 4 14.919 8.737 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.062 8.940 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.485 7.250 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.035 7.981 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.437 10.709 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.449 9.940 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.144 10.367 -0.759 1.00 0.00 H new ATOM 68 N GLU A 5 11.801 7.945 0.265 1.00 0.00 N ATOM 69 CA GLU A 5 10.427 7.680 0.659 1.00 0.00 C ATOM 70 C GLU A 5 9.552 7.395 -0.572 1.00 0.00 C ATOM 71 O GLU A 5 9.241 8.300 -1.365 1.00 0.00 O ATOM 72 CB GLU A 5 9.813 8.864 1.444 1.00 0.00 C ATOM 73 CG GLU A 5 10.605 9.356 2.661 1.00 0.00 C ATOM 74 CD GLU A 5 11.749 10.290 2.292 1.00 0.00 C ATOM 75 OE1 GLU A 5 12.815 9.799 1.871 1.00 0.00 O ATOM 76 OE2 GLU A 5 11.572 11.512 2.411 1.00 0.00 O1- ATOM 0 H GLU A 5 12.159 8.835 0.610 1.00 0.00 H new ATOM 0 HA GLU A 5 10.451 6.805 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.686 9.701 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.817 8.573 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.929 9.872 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.005 8.496 3.198 1.00 0.00 H new ATOM 83 N TYR A 6 9.168 6.158 -0.740 1.00 0.00 N ATOM 84 CA TYR A 6 8.353 5.761 -1.865 1.00 0.00 C ATOM 85 C TYR A 6 6.917 5.626 -1.516 1.00 0.00 C ATOM 86 O TYR A 6 6.562 5.022 -0.497 1.00 0.00 O ATOM 87 CB TYR A 6 8.801 4.452 -2.477 1.00 0.00 C ATOM 88 CG TYR A 6 9.827 4.568 -3.553 1.00 0.00 C ATOM 89 CD1 TYR A 6 11.158 4.601 -3.258 1.00 0.00 C ATOM 90 CD2 TYR A 6 9.447 4.617 -4.889 1.00 0.00 C ATOM 91 CE1 TYR A 6 12.091 4.687 -4.241 1.00 0.00 C ATOM 92 CE2 TYR A 6 10.387 4.695 -5.888 1.00 0.00 C ATOM 93 CZ TYR A 6 11.712 4.730 -5.551 1.00 0.00 C ATOM 94 OH TYR A 6 12.672 4.796 -6.522 1.00 0.00 O ATOM 0 H TYR A 6 9.408 5.397 -0.105 1.00 0.00 H new ATOM 0 HA TYR A 6 8.480 6.568 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.199 3.818 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.928 3.943 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.475 4.558 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.398 4.593 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 6 13.139 4.722 -3.984 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.084 4.728 -6.924 1.00 0.00 H new ATOM 0 HH TYR A 6 13.494 4.372 -6.198 1.00 0.00 H new ATOM 104 N ARG A 7 6.089 6.169 -2.365 1.00 0.00 N ATOM 105 CA ARG A 7 4.685 5.979 -2.253 1.00 0.00 C ATOM 106 C ARG A 7 4.368 4.746 -3.113 1.00 0.00 C ATOM 107 O ARG A 7 4.835 4.646 -4.256 1.00 0.00 O ATOM 108 CB ARG A 7 3.924 7.210 -2.789 1.00 0.00 C ATOM 109 CG ARG A 7 2.495 7.333 -2.261 1.00 0.00 C ATOM 110 CD ARG A 7 2.507 7.761 -0.796 1.00 0.00 C ATOM 111 NE ARG A 7 1.189 7.669 -0.136 1.00 0.00 N ATOM 112 CZ ARG A 7 1.025 7.887 1.180 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.875 8.660 1.820 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 -0.025 7.411 1.836 1.00 0.00 N ATOM 0 H ARG A 7 6.376 6.753 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 7 4.381 5.843 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.478 8.111 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.896 7.162 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.942 8.061 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.979 6.379 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.219 7.141 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.864 8.789 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 7 0.373 7.431 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.652 9.089 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.757 8.830 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.731 6.866 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.126 7.590 2.835 1.00 0.00 H new ATOM 128 N CYS A 8 3.665 3.811 -2.567 1.00 0.00 N ATOM 129 CA CYS A 8 3.306 2.601 -3.269 1.00 0.00 C ATOM 130 C CYS A 8 1.799 2.583 -3.465 1.00 0.00 C ATOM 131 O CYS A 8 1.063 3.054 -2.597 1.00 0.00 O ATOM 132 CB CYS A 8 3.775 1.380 -2.456 1.00 0.00 C ATOM 133 SG CYS A 8 3.491 -0.222 -3.237 1.00 0.00 S ATOM 0 H CYS A 8 3.314 3.856 -1.610 1.00 0.00 H new ATOM 0 HA CYS A 8 3.790 2.564 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.842 1.485 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.268 1.390 -1.491 1.00 0.00 H new ATOM 0 HG CYS A 8 3.338 -0.059 -4.518 1.00 0.00 H new ATOM 139 N PHE A 9 1.353 2.075 -4.594 1.00 0.00 N ATOM 140 CA PHE A 9 -0.060 2.030 -4.926 1.00 0.00 C ATOM 141 C PHE A 9 -0.578 0.632 -4.696 1.00 0.00 C ATOM 142 O PHE A 9 -0.010 -0.337 -5.224 1.00 0.00 O ATOM 143 CB PHE A 9 -0.268 2.421 -6.411 1.00 0.00 C ATOM 144 CG PHE A 9 -1.710 2.384 -6.908 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.290 1.195 -7.340 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.468 3.535 -6.957 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.589 1.163 -7.802 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.767 3.509 -7.423 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.329 2.323 -7.846 1.00 0.00 C ATOM 0 H PHE A 9 1.960 1.679 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.602 2.734 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.123 3.427 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.328 1.751 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.713 0.282 -7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.039 4.470 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.025 0.230 -8.128 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.345 4.421 -7.456 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.346 2.304 -8.210 1.00 0.00 H new ATOM 159 N VAL A 10 -1.625 0.514 -3.914 1.00 0.00 N ATOM 160 CA VAL A 10 -2.259 -0.758 -3.704 1.00 0.00 C ATOM 161 C VAL A 10 -3.754 -0.599 -3.967 1.00 0.00 C ATOM 162 O VAL A 10 -4.449 0.108 -3.244 1.00 0.00 O ATOM 163 CB VAL A 10 -2.049 -1.303 -2.259 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.583 -2.722 -2.143 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.583 -1.252 -1.847 1.00 0.00 C ATOM 0 H VAL A 10 -2.055 1.291 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.806 -1.476 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.607 -0.659 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.428 -3.087 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.648 -2.730 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.056 -3.368 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.476 -1.640 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.009 -1.859 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.232 -0.221 -1.880 1.00 0.00 H new ATOM 175 N GLY A 11 -4.229 -1.239 -4.991 1.00 0.00 N ATOM 176 CA GLY A 11 -5.622 -1.174 -5.340 1.00 0.00 C ATOM 177 C GLY A 11 -6.252 -2.534 -5.319 1.00 0.00 C ATOM 178 O GLY A 11 -5.540 -3.535 -5.289 1.00 0.00 O ATOM 0 H GLY A 11 -3.666 -1.822 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.144 -0.518 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.731 -0.736 -6.332 1.00 0.00 H new ATOM 182 N GLY A 12 -7.568 -2.578 -5.332 1.00 0.00 N ATOM 183 CA GLY A 12 -8.264 -3.849 -5.301 1.00 0.00 C ATOM 184 C GLY A 12 -8.321 -4.366 -3.894 1.00 0.00 C ATOM 185 O GLY A 12 -8.064 -5.536 -3.636 1.00 0.00 O ATOM 0 H GLY A 12 -8.173 -1.757 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.273 -3.730 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.754 -4.568 -5.942 1.00 0.00 H new ATOM 189 N LEU A 13 -8.651 -3.478 -2.990 1.00 0.00 N ATOM 190 CA LEU A 13 -8.665 -3.788 -1.586 1.00 0.00 C ATOM 191 C LEU A 13 -9.934 -4.512 -1.174 1.00 0.00 C ATOM 192 O LEU A 13 -10.876 -4.672 -1.966 1.00 0.00 O ATOM 193 CB LEU A 13 -8.470 -2.523 -0.763 1.00 0.00 C ATOM 194 CG LEU A 13 -7.189 -1.738 -1.047 1.00 0.00 C ATOM 195 CD1 LEU A 13 -7.113 -0.518 -0.167 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.956 -2.606 -0.861 1.00 0.00 C ATOM 0 H LEU A 13 -8.918 -2.518 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.834 -4.466 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.322 -1.866 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.482 -2.793 0.293 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.217 -1.417 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.195 0.029 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.972 0.124 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.117 -0.823 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.062 -2.018 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.919 -2.970 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.001 -3.454 -1.545 1.00 0.00 H new ATOM 208 N ALA A 14 -9.964 -4.915 0.059 1.00 0.00 N ATOM 209 CA ALA A 14 -11.025 -5.701 0.586 1.00 0.00 C ATOM 210 C ALA A 14 -11.864 -4.908 1.578 1.00 0.00 C ATOM 211 O ALA A 14 -11.638 -3.710 1.772 1.00 0.00 O ATOM 212 CB ALA A 14 -10.423 -6.895 1.240 1.00 0.00 C ATOM 0 H ALA A 14 -9.234 -4.699 0.738 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.695 -6.005 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.214 -7.520 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.858 -7.467 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.756 -6.574 2.040 1.00 0.00 H new ATOM 218 N TRP A 15 -12.802 -5.582 2.233 1.00 0.00 N ATOM 219 CA TRP A 15 -13.702 -4.922 3.164 1.00 0.00 C ATOM 220 C TRP A 15 -12.999 -4.692 4.476 1.00 0.00 C ATOM 221 O TRP A 15 -13.164 -3.661 5.113 1.00 0.00 O ATOM 222 CB TRP A 15 -14.993 -5.726 3.409 1.00 0.00 C ATOM 223 CG TRP A 15 -15.815 -6.026 2.182 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.321 -7.244 1.830 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.220 -5.111 1.140 1.00 0.00 C ATOM 226 NE1 TRP A 15 -17.013 -7.151 0.643 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.970 -5.853 0.204 1.00 0.00 C ATOM 228 CE3 TRP A 15 -16.027 -3.744 0.911 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -17.522 -5.275 -0.937 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -16.576 -3.176 -0.221 1.00 0.00 C ATOM 231 CH2 TRP A 15 -17.315 -3.940 -1.130 1.00 0.00 C ATOM 0 H TRP A 15 -12.957 -6.585 2.135 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.988 -3.971 2.714 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -14.727 -6.669 3.886 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.614 -5.175 4.115 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.196 -8.152 2.401 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.481 -7.922 0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.459 -3.145 1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -18.092 -5.861 -1.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.432 -2.122 -0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -17.731 -3.463 -2.005 1.00 0.00 H new ATOM 242 N ALA A 16 -12.190 -5.657 4.866 1.00 0.00 N ATOM 243 CA ALA A 16 -11.458 -5.574 6.119 1.00 0.00 C ATOM 244 C ALA A 16 -10.146 -4.803 5.952 1.00 0.00 C ATOM 245 O ALA A 16 -9.303 -4.760 6.868 1.00 0.00 O ATOM 246 CB ALA A 16 -11.195 -6.966 6.674 1.00 0.00 C ATOM 0 H ALA A 16 -12.021 -6.510 4.334 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.075 -5.025 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.646 -6.886 7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.144 -7.472 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.606 -7.538 5.957 1.00 0.00 H new ATOM 252 N THR A 17 -9.954 -4.204 4.797 1.00 0.00 N ATOM 253 CA THR A 17 -8.767 -3.448 4.564 1.00 0.00 C ATOM 254 C THR A 17 -8.882 -2.046 5.177 1.00 0.00 C ATOM 255 O THR A 17 -9.736 -1.249 4.807 1.00 0.00 O ATOM 256 CB THR A 17 -8.446 -3.354 3.070 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.453 -4.678 2.521 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.065 -2.756 2.872 1.00 0.00 C ATOM 0 H THR A 17 -10.608 -4.232 4.015 1.00 0.00 H new ATOM 0 HA THR A 17 -7.945 -3.973 5.051 1.00 0.00 H new ATOM 0 HB THR A 17 -9.187 -2.724 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.719 -4.769 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.845 -2.693 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.035 -1.758 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.322 -3.387 3.359 1.00 0.00 H new ATOM 266 N THR A 18 -8.015 -1.786 6.103 1.00 0.00 N ATOM 267 CA THR A 18 -7.909 -0.533 6.780 1.00 0.00 C ATOM 268 C THR A 18 -6.517 -0.134 6.675 1.00 0.00 C ATOM 269 O THR A 18 -5.676 -0.915 6.207 1.00 0.00 O ATOM 270 CB THR A 18 -8.300 -0.654 8.276 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.457 -1.635 8.914 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.762 -1.054 8.440 1.00 0.00 C ATOM 0 H THR A 18 -7.331 -2.472 6.422 1.00 0.00 H new ATOM 0 HA THR A 18 -8.586 0.195 6.333 1.00 0.00 H new ATOM 0 HB THR A 18 -8.162 0.321 8.744 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.401 -2.435 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.002 -1.130 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.399 -0.301 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.932 -2.018 7.960 1.00 0.00 H new ATOM 280 N ASP A 19 -6.259 1.042 7.096 1.00 0.00 N ATOM 281 CA ASP A 19 -4.962 1.600 7.051 1.00 0.00 C ATOM 282 C ASP A 19 -4.006 0.748 7.872 1.00 0.00 C ATOM 283 O ASP A 19 -2.866 0.503 7.472 1.00 0.00 O ATOM 284 CB ASP A 19 -5.010 2.995 7.597 1.00 0.00 C ATOM 285 CG ASP A 19 -6.064 3.859 6.955 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.890 4.284 5.810 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -7.089 4.135 7.582 1.00 0.00 O ATOM 0 H ASP A 19 -6.963 1.664 7.494 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.608 1.627 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.194 2.950 8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.035 3.463 7.460 1.00 0.00 H new ATOM 292 N GLN A 20 -4.518 0.241 8.988 1.00 0.00 N ATOM 293 CA GLN A 20 -3.765 -0.610 9.874 1.00 0.00 C ATOM 294 C GLN A 20 -3.544 -1.986 9.250 1.00 0.00 C ATOM 295 O GLN A 20 -2.420 -2.430 9.132 1.00 0.00 O ATOM 296 CB GLN A 20 -4.482 -0.746 11.218 1.00 0.00 C ATOM 297 CG GLN A 20 -3.775 -1.653 12.214 1.00 0.00 C ATOM 298 CD GLN A 20 -4.527 -1.770 13.515 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.374 -2.629 13.678 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.218 -0.914 14.451 1.00 0.00 N ATOM 0 H GLN A 20 -5.474 0.416 9.297 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.791 -0.150 10.041 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.592 0.244 11.660 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.487 -1.130 11.044 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.653 -2.644 11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.775 -1.266 12.409 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.503 -0.207 14.280 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.692 -0.952 15.354 1.00 0.00 H new ATOM 309 N THR A 21 -4.617 -2.637 8.805 1.00 0.00 N ATOM 310 CA THR A 21 -4.493 -3.982 8.257 1.00 0.00 C ATOM 311 C THR A 21 -3.695 -4.018 6.948 1.00 0.00 C ATOM 312 O THR A 21 -3.056 -5.020 6.634 1.00 0.00 O ATOM 313 CB THR A 21 -5.862 -4.700 8.118 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.815 -3.860 7.441 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.409 -5.085 9.486 1.00 0.00 C ATOM 0 H THR A 21 -5.565 -2.262 8.813 1.00 0.00 H new ATOM 0 HA THR A 21 -3.916 -4.546 8.990 1.00 0.00 H new ATOM 0 HB THR A 21 -5.704 -5.603 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.649 -4.356 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.369 -5.587 9.366 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.708 -5.756 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.542 -4.188 10.090 1.00 0.00 H new ATOM 323 N LEU A 22 -3.720 -2.922 6.198 1.00 0.00 N ATOM 324 CA LEU A 22 -2.931 -2.831 4.988 1.00 0.00 C ATOM 325 C LEU A 22 -1.478 -2.572 5.367 1.00 0.00 C ATOM 326 O LEU A 22 -0.567 -3.170 4.805 1.00 0.00 O ATOM 327 CB LEU A 22 -3.438 -1.703 4.080 1.00 0.00 C ATOM 328 CG LEU A 22 -2.791 -1.620 2.693 1.00 0.00 C ATOM 329 CD1 LEU A 22 -3.155 -2.836 1.858 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.187 -0.340 1.982 1.00 0.00 C ATOM 0 H LEU A 22 -4.275 -2.093 6.409 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.018 -3.769 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.514 -1.822 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.281 -0.753 4.591 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.709 -1.608 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.686 -2.758 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.803 -3.739 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.237 -2.885 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.714 -0.308 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.270 -0.310 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.862 0.518 2.570 1.00 0.00 H new ATOM 342 N GLY A 23 -1.287 -1.701 6.354 1.00 0.00 N ATOM 343 CA GLY A 23 0.039 -1.357 6.817 1.00 0.00 C ATOM 344 C GLY A 23 0.771 -2.550 7.372 1.00 0.00 C ATOM 345 O GLY A 23 1.868 -2.857 6.928 1.00 0.00 O ATOM 0 H GLY A 23 -2.042 -1.223 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.612 -0.932 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.034 -0.587 7.585 1.00 0.00 H new ATOM 349 N GLU A 24 0.131 -3.254 8.287 1.00 0.00 N ATOM 350 CA GLU A 24 0.721 -4.418 8.935 1.00 0.00 C ATOM 351 C GLU A 24 0.980 -5.571 7.978 1.00 0.00 C ATOM 352 O GLU A 24 1.848 -6.409 8.209 1.00 0.00 O ATOM 353 CB GLU A 24 -0.057 -4.853 10.171 1.00 0.00 C ATOM 354 CG GLU A 24 -0.103 -3.773 11.242 1.00 0.00 C ATOM 355 CD GLU A 24 1.254 -3.113 11.441 1.00 0.00 C ATOM 356 OE1 GLU A 24 2.239 -3.827 11.744 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 1.345 -1.888 11.228 1.00 0.00 O ATOM 0 H GLU A 24 -0.814 -3.037 8.605 1.00 0.00 H new ATOM 0 HA GLU A 24 1.703 -4.095 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.074 -5.116 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.399 -5.752 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.837 -3.017 10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.436 -4.209 12.184 1.00 0.00 H new ATOM 364 N ALA A 25 0.207 -5.641 6.919 1.00 0.00 N ATOM 365 CA ALA A 25 0.442 -6.635 5.896 1.00 0.00 C ATOM 366 C ALA A 25 1.817 -6.384 5.252 1.00 0.00 C ATOM 367 O ALA A 25 2.564 -7.314 4.950 1.00 0.00 O ATOM 368 CB ALA A 25 -0.657 -6.577 4.844 1.00 0.00 C ATOM 0 H ALA A 25 -0.587 -5.025 6.743 1.00 0.00 H new ATOM 0 HA ALA A 25 0.432 -7.628 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.469 -7.330 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.621 -6.770 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.669 -5.589 4.385 1.00 0.00 H new ATOM 374 N PHE A 26 2.135 -5.117 5.061 1.00 0.00 N ATOM 375 CA PHE A 26 3.385 -4.717 4.456 1.00 0.00 C ATOM 376 C PHE A 26 4.528 -4.505 5.457 1.00 0.00 C ATOM 377 O PHE A 26 5.692 -4.458 5.051 1.00 0.00 O ATOM 378 CB PHE A 26 3.213 -3.483 3.587 1.00 0.00 C ATOM 379 CG PHE A 26 2.379 -3.707 2.360 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.902 -4.378 1.278 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.081 -3.250 2.288 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.149 -4.590 0.143 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.321 -3.458 1.158 1.00 0.00 C ATOM 384 CZ PHE A 26 0.856 -4.128 0.083 1.00 0.00 C ATOM 0 H PHE A 26 1.531 -4.338 5.322 1.00 0.00 H new ATOM 0 HA PHE A 26 3.677 -5.561 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.757 -2.693 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.197 -3.126 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.917 -4.744 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.654 -2.722 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.574 -5.118 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.695 -3.095 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.263 -4.290 -0.805 1.00 0.00 H new ATOM 394 N SER A 27 4.220 -4.396 6.748 1.00 0.00 N ATOM 395 CA SER A 27 5.251 -4.102 7.764 1.00 0.00 C ATOM 396 C SER A 27 6.240 -5.258 7.930 1.00 0.00 C ATOM 397 O SER A 27 7.337 -5.092 8.460 1.00 0.00 O ATOM 398 CB SER A 27 4.614 -3.689 9.110 1.00 0.00 C ATOM 399 OG SER A 27 3.727 -4.675 9.581 1.00 0.00 O ATOM 0 H SER A 27 3.277 -4.504 7.121 1.00 0.00 H new ATOM 0 HA SER A 27 5.826 -3.250 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.398 -3.519 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.081 -2.746 8.988 1.00 0.00 H new ATOM 0 HG SER A 27 3.320 -4.375 10.420 1.00 0.00 H new ATOM 405 N GLN A 28 5.848 -6.415 7.426 1.00 0.00 N ATOM 406 CA GLN A 28 6.667 -7.606 7.441 1.00 0.00 C ATOM 407 C GLN A 28 7.793 -7.483 6.384 1.00 0.00 C ATOM 408 O GLN A 28 8.789 -8.196 6.428 1.00 0.00 O ATOM 409 CB GLN A 28 5.767 -8.807 7.118 1.00 0.00 C ATOM 410 CG GLN A 28 6.408 -10.170 7.309 1.00 0.00 C ATOM 411 CD GLN A 28 6.750 -10.456 8.760 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.834 -10.174 9.231 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.808 -11.008 9.483 1.00 0.00 N ATOM 0 H GLN A 28 4.937 -6.552 6.989 1.00 0.00 H new ATOM 0 HA GLN A 28 7.129 -7.737 8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.877 -8.752 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.434 -8.722 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.731 -10.941 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.315 -10.228 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.907 -11.234 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.975 -11.212 10.468 1.00 0.00 H new ATOM 422 N PHE A 29 7.611 -6.565 5.446 1.00 0.00 N ATOM 423 CA PHE A 29 8.565 -6.366 4.368 1.00 0.00 C ATOM 424 C PHE A 29 9.478 -5.193 4.677 1.00 0.00 C ATOM 425 O PHE A 29 10.681 -5.238 4.400 1.00 0.00 O ATOM 426 CB PHE A 29 7.836 -6.152 3.030 1.00 0.00 C ATOM 427 CG PHE A 29 7.004 -7.333 2.602 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.711 -7.495 3.069 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.518 -8.285 1.742 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.953 -8.578 2.692 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.765 -9.371 1.356 1.00 0.00 C ATOM 432 CZ PHE A 29 5.479 -9.521 1.831 1.00 0.00 C ATOM 0 H PHE A 29 6.804 -5.942 5.411 1.00 0.00 H new ATOM 0 HA PHE A 29 9.178 -7.263 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.193 -5.276 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.572 -5.936 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.292 -6.760 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.525 -8.175 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.947 -8.691 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.181 -10.105 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.886 -10.372 1.531 1.00 0.00 H new ATOM 442 N GLY A 30 8.908 -4.141 5.235 1.00 0.00 N ATOM 443 CA GLY A 30 9.693 -2.999 5.621 1.00 0.00 C ATOM 444 C GLY A 30 8.919 -2.105 6.531 1.00 0.00 C ATOM 445 O GLY A 30 7.689 -2.239 6.629 1.00 0.00 O ATOM 0 H GLY A 30 7.910 -4.060 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.604 -3.330 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.998 -2.445 4.733 1.00 0.00 H new ATOM 449 N GLU A 31 9.610 -1.211 7.205 1.00 0.00 N ATOM 450 CA GLU A 31 8.999 -0.294 8.116 1.00 0.00 C ATOM 451 C GLU A 31 8.130 0.686 7.346 1.00 0.00 C ATOM 452 O GLU A 31 8.607 1.416 6.456 1.00 0.00 O ATOM 453 CB GLU A 31 10.041 0.478 8.951 1.00 0.00 C ATOM 454 CG GLU A 31 11.204 -0.359 9.504 1.00 0.00 C ATOM 455 CD GLU A 31 12.378 -0.425 8.542 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.225 -0.936 7.413 1.00 0.00 O ATOM 457 OE2 GLU A 31 13.453 0.086 8.865 1.00 0.00 O1- ATOM 0 H GLU A 31 10.622 -1.107 7.128 1.00 0.00 H new ATOM 0 HA GLU A 31 8.389 -0.873 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.453 1.277 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.529 0.953 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.537 0.067 10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.853 -1.369 9.715 1.00 0.00 H new ATOM 464 N ILE A 32 6.874 0.679 7.669 1.00 0.00 N ATOM 465 CA ILE A 32 5.904 1.518 7.029 1.00 0.00 C ATOM 466 C ILE A 32 5.996 2.909 7.621 1.00 0.00 C ATOM 467 O ILE A 32 5.929 3.068 8.836 1.00 0.00 O ATOM 468 CB ILE A 32 4.473 0.951 7.253 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.388 -0.517 6.807 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.424 1.785 6.540 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.745 -0.752 5.354 1.00 0.00 C ATOM 0 H ILE A 32 6.485 0.080 8.397 1.00 0.00 H new ATOM 0 HA ILE A 32 6.103 1.552 5.958 1.00 0.00 H new ATOM 0 HB ILE A 32 4.268 1.000 8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.053 -1.113 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.375 -0.879 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.437 1.359 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.452 2.807 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.629 1.789 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.658 -1.814 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.065 -0.187 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.769 -0.424 5.173 1.00 0.00 H new ATOM 483 N LEU A 33 6.177 3.900 6.780 1.00 0.00 N ATOM 484 CA LEU A 33 6.252 5.269 7.256 1.00 0.00 C ATOM 485 C LEU A 33 4.847 5.801 7.456 1.00 0.00 C ATOM 486 O LEU A 33 4.561 6.476 8.437 1.00 0.00 O ATOM 487 CB LEU A 33 7.045 6.161 6.294 1.00 0.00 C ATOM 488 CG LEU A 33 8.493 5.729 5.995 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.176 6.749 5.100 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.292 5.527 7.283 1.00 0.00 C ATOM 0 H LEU A 33 6.275 3.790 5.771 1.00 0.00 H new ATOM 0 HA LEU A 33 6.785 5.281 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.502 6.213 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.068 7.171 6.704 1.00 0.00 H new ATOM 0 HG LEU A 33 8.456 4.773 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.198 6.429 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.630 6.832 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.191 7.718 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.309 5.223 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.319 6.461 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.818 4.753 7.887 1.00 0.00 H new ATOM 502 N ASP A 34 3.976 5.460 6.527 1.00 0.00 N ATOM 503 CA ASP A 34 2.571 5.798 6.611 1.00 0.00 C ATOM 504 C ASP A 34 1.831 4.908 5.658 1.00 0.00 C ATOM 505 O ASP A 34 2.442 4.315 4.765 1.00 0.00 O ATOM 506 CB ASP A 34 2.259 7.294 6.311 1.00 0.00 C ATOM 507 CG ASP A 34 2.060 7.665 4.852 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.908 7.584 4.347 1.00 0.00 O ATOM 509 OD2 ASP A 34 3.012 8.091 4.199 1.00 0.00 O1- ATOM 0 H ASP A 34 4.226 4.937 5.688 1.00 0.00 H new ATOM 0 HA ASP A 34 2.249 5.643 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.359 7.571 6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.074 7.899 6.709 1.00 0.00 H new ATOM 514 N SER A 35 0.566 4.771 5.859 1.00 0.00 N ATOM 515 CA SER A 35 -0.260 3.954 5.035 1.00 0.00 C ATOM 516 C SER A 35 -1.653 4.505 5.124 1.00 0.00 C ATOM 517 O SER A 35 -2.210 4.616 6.220 1.00 0.00 O ATOM 518 CB SER A 35 -0.208 2.487 5.512 1.00 0.00 C ATOM 519 OG SER A 35 -1.008 1.628 4.717 1.00 0.00 O ATOM 0 H SER A 35 0.065 5.234 6.617 1.00 0.00 H new ATOM 0 HA SER A 35 0.084 3.965 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.825 2.138 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.542 2.433 6.548 1.00 0.00 H new ATOM 0 HG SER A 35 -0.941 0.711 5.057 1.00 0.00 H new ATOM 525 N LYS A 36 -2.192 4.894 4.005 1.00 0.00 N ATOM 526 CA LYS A 36 -3.502 5.462 3.967 1.00 0.00 C ATOM 527 C LYS A 36 -4.330 4.946 2.832 1.00 0.00 C ATOM 528 O LYS A 36 -3.922 4.997 1.658 1.00 0.00 O ATOM 529 CB LYS A 36 -3.493 7.008 3.956 1.00 0.00 C ATOM 530 CG LYS A 36 -3.546 7.676 5.343 1.00 0.00 C ATOM 531 CD LYS A 36 -4.765 7.195 6.158 1.00 0.00 C ATOM 532 CE LYS A 36 -6.092 7.388 5.406 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.197 6.601 6.014 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.734 4.825 3.096 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.968 5.138 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.593 7.346 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.344 7.356 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.630 7.453 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.591 8.759 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.640 6.140 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.804 7.739 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.358 8.445 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.965 7.090 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.104 6.898 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.046 5.589 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.215 6.764 7.041 1.00 0.00 H new ATOM 547 N ILE A 37 -5.476 4.440 3.190 1.00 0.00 N ATOM 548 CA ILE A 37 -6.485 4.046 2.254 1.00 0.00 C ATOM 549 C ILE A 37 -7.084 5.336 1.735 1.00 0.00 C ATOM 550 O ILE A 37 -7.179 6.320 2.486 1.00 0.00 O ATOM 551 CB ILE A 37 -7.631 3.235 2.954 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.079 2.064 3.784 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.663 2.726 1.941 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.264 1.067 3.004 1.00 0.00 C ATOM 0 H ILE A 37 -5.739 4.287 4.164 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.052 3.418 1.475 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.130 3.926 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.463 2.466 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.914 1.543 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.441 2.169 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.110 3.573 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.173 2.074 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.917 0.278 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.879 0.631 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.405 1.568 2.558 1.00 0.00 H new ATOM 566 N ILE A 38 -7.440 5.382 0.489 1.00 0.00 N ATOM 567 CA ILE A 38 -8.076 6.556 -0.014 1.00 0.00 C ATOM 568 C ILE A 38 -9.536 6.474 0.361 1.00 0.00 C ATOM 569 O ILE A 38 -10.244 5.523 -0.017 1.00 0.00 O ATOM 570 CB ILE A 38 -7.864 6.740 -1.540 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.353 6.815 -1.852 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.570 8.005 -2.037 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.633 7.989 -1.193 1.00 0.00 C ATOM 0 H ILE A 38 -7.303 4.632 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.626 7.443 0.433 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.295 5.883 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.881 5.887 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.220 6.882 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.408 8.114 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.639 7.928 -1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.166 8.875 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.577 7.967 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.076 8.925 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.731 7.915 -0.110 1.00 0.00 H new ATOM 585 N ASN A 39 -9.962 7.414 1.152 1.00 0.00 N ATOM 586 CA ASN A 39 -11.285 7.394 1.707 1.00 0.00 C ATOM 587 C ASN A 39 -12.250 8.318 1.008 1.00 0.00 C ATOM 588 O ASN A 39 -11.879 9.150 0.175 1.00 0.00 O ATOM 589 CB ASN A 39 -11.288 7.692 3.224 1.00 0.00 C ATOM 590 CG ASN A 39 -10.602 6.625 4.062 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.419 6.733 4.398 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.324 5.590 4.393 1.00 0.00 N ATOM 0 H ASN A 39 -9.401 8.219 1.432 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.634 6.374 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.796 8.649 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.319 7.798 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.914 4.838 4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.299 5.533 4.098 1.00 0.00 H new ATOM 599 N ASP A 40 -13.488 8.110 1.338 1.00 0.00 N ATOM 600 CA ASP A 40 -14.615 8.908 0.911 1.00 0.00 C ATOM 601 C ASP A 40 -14.665 10.090 1.858 1.00 0.00 C ATOM 602 O ASP A 40 -14.940 9.915 3.034 1.00 0.00 O ATOM 603 CB ASP A 40 -15.861 8.033 1.088 1.00 0.00 C ATOM 604 CG ASP A 40 -17.182 8.658 0.773 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.643 9.437 1.574 1.00 0.00 O ATOM 606 OD2 ASP A 40 -17.846 8.233 -0.220 1.00 0.00 O1- ATOM 0 H ASP A 40 -13.762 7.338 1.946 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.549 9.250 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.746 7.150 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.888 7.688 2.122 1.00 0.00 H new ATOM 611 N ARG A 41 -14.327 11.259 1.378 1.00 0.00 N ATOM 612 CA ARG A 41 -14.223 12.427 2.249 1.00 0.00 C ATOM 613 C ARG A 41 -15.556 12.985 2.750 1.00 0.00 C ATOM 614 O ARG A 41 -15.575 13.861 3.606 1.00 0.00 O ATOM 615 CB ARG A 41 -13.259 13.521 1.697 1.00 0.00 C ATOM 616 CG ARG A 41 -13.487 14.018 0.257 1.00 0.00 C ATOM 617 CD ARG A 41 -14.816 14.735 0.066 1.00 0.00 C ATOM 618 NE ARG A 41 -14.913 15.376 -1.268 1.00 0.00 N ATOM 619 CZ ARG A 41 -15.784 15.014 -2.228 1.00 0.00 C ATOM 620 NH1 ARG A 41 -16.477 13.910 -2.101 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -15.910 15.747 -3.338 1.00 0.00 N ATOM 0 H ARG A 41 -14.118 11.439 0.396 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.752 12.040 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.315 14.383 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.242 13.134 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.676 14.692 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.440 13.168 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.633 14.023 0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.935 15.492 0.842 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.275 16.145 -1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.357 13.325 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.137 13.636 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.344 16.587 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.572 15.467 -4.062 1.00 0.00 H new ATOM 635 N GLU A 42 -16.640 12.512 2.198 1.00 0.00 N ATOM 636 CA GLU A 42 -17.939 12.952 2.605 1.00 0.00 C ATOM 637 C GLU A 42 -18.542 12.119 3.739 1.00 0.00 C ATOM 638 O GLU A 42 -19.166 12.663 4.648 1.00 0.00 O ATOM 639 CB GLU A 42 -18.910 13.078 1.426 1.00 0.00 C ATOM 640 CG GLU A 42 -19.008 11.886 0.496 1.00 0.00 C ATOM 641 CD GLU A 42 -17.971 11.870 -0.631 1.00 0.00 C ATOM 642 OE1 GLU A 42 -16.728 11.823 -0.366 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -18.365 11.987 -1.806 1.00 0.00 O ATOM 0 H GLU A 42 -16.644 11.813 1.456 1.00 0.00 H new ATOM 0 HA GLU A 42 -17.784 13.951 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.904 13.282 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -18.618 13.947 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.901 10.974 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.005 11.867 0.055 1.00 0.00 H new ATOM 650 N THR A 43 -18.372 10.816 3.690 1.00 0.00 N ATOM 651 CA THR A 43 -18.971 9.948 4.697 1.00 0.00 C ATOM 652 C THR A 43 -17.936 9.135 5.480 1.00 0.00 C ATOM 653 O THR A 43 -18.221 8.649 6.574 1.00 0.00 O ATOM 654 CB THR A 43 -19.983 8.984 4.050 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.330 8.220 3.057 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.114 9.742 3.399 1.00 0.00 C ATOM 0 H THR A 43 -17.831 10.332 2.974 1.00 0.00 H new ATOM 0 HA THR A 43 -19.476 10.608 5.402 1.00 0.00 H new ATOM 0 HB THR A 43 -20.388 8.341 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.027 8.811 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.814 9.037 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 43 -21.632 10.339 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 43 -20.715 10.399 2.626 1.00 0.00 H new ATOM 664 N GLY A 44 -16.754 8.978 4.921 1.00 0.00 N ATOM 665 CA GLY A 44 -15.728 8.196 5.598 1.00 0.00 C ATOM 666 C GLY A 44 -15.584 6.777 5.053 1.00 0.00 C ATOM 667 O GLY A 44 -14.891 5.951 5.641 1.00 0.00 O ATOM 0 H GLY A 44 -16.479 9.370 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.771 8.710 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.963 8.146 6.661 1.00 0.00 H new ATOM 671 N ARG A 45 -16.240 6.493 3.930 1.00 0.00 N ATOM 672 CA ARG A 45 -16.143 5.165 3.267 1.00 0.00 C ATOM 673 C ARG A 45 -14.729 4.987 2.645 1.00 0.00 C ATOM 674 O ARG A 45 -13.842 5.821 2.824 1.00 0.00 O ATOM 675 CB ARG A 45 -17.158 5.064 2.115 1.00 0.00 C ATOM 676 CG ARG A 45 -18.607 5.343 2.453 1.00 0.00 C ATOM 677 CD ARG A 45 -19.354 5.648 1.159 1.00 0.00 C ATOM 678 NE ARG A 45 -20.753 6.051 1.341 1.00 0.00 N ATOM 679 CZ ARG A 45 -21.298 7.163 0.772 1.00 0.00 C ATOM 680 NH1 ARG A 45 -20.513 8.080 0.162 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -22.615 7.386 0.870 1.00 0.00 N ATOM 0 H ARG A 45 -16.848 7.155 3.449 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.341 4.402 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.853 5.758 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.095 4.061 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -19.052 4.483 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.680 6.185 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.827 6.442 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.324 4.765 0.521 1.00 0.00 H new ATOM 0 HE ARG A 45 -21.351 5.467 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.503 7.943 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -20.931 8.909 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -23.209 6.724 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -23.024 8.218 0.445 1.00 0.00 H new ATOM 695 N SER A 46 -14.541 3.935 1.890 1.00 0.00 N ATOM 696 CA SER A 46 -13.280 3.697 1.220 1.00 0.00 C ATOM 697 C SER A 46 -13.463 3.832 -0.307 1.00 0.00 C ATOM 698 O SER A 46 -14.595 3.763 -0.813 1.00 0.00 O ATOM 699 CB SER A 46 -12.778 2.301 1.595 1.00 0.00 C ATOM 700 OG SER A 46 -12.732 2.166 3.007 1.00 0.00 O ATOM 0 H SER A 46 -15.250 3.221 1.720 1.00 0.00 H new ATOM 0 HA SER A 46 -12.541 4.434 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.435 1.543 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.787 2.136 1.173 1.00 0.00 H new ATOM 0 HG SER A 46 -12.411 1.270 3.240 1.00 0.00 H new ATOM 706 N ARG A 47 -12.379 4.096 -1.031 1.00 0.00 N ATOM 707 CA ARG A 47 -12.431 4.174 -2.500 1.00 0.00 C ATOM 708 C ARG A 47 -11.982 2.860 -3.139 1.00 0.00 C ATOM 709 O ARG A 47 -12.064 2.697 -4.340 1.00 0.00 O ATOM 710 CB ARG A 47 -11.585 5.340 -3.042 1.00 0.00 C ATOM 711 CG ARG A 47 -11.961 6.752 -2.545 1.00 0.00 C ATOM 712 CD ARG A 47 -13.318 7.277 -3.046 1.00 0.00 C ATOM 713 NE ARG A 47 -14.477 6.538 -2.527 1.00 0.00 N ATOM 714 CZ ARG A 47 -15.635 7.097 -2.170 1.00 0.00 C ATOM 715 NH1 ARG A 47 -15.828 8.416 -2.290 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -16.606 6.341 -1.695 1.00 0.00 N ATOM 0 H ARG A 47 -11.454 4.260 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.471 4.358 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.542 5.154 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.651 5.332 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.970 6.747 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.182 7.449 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.415 8.326 -2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.332 7.235 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.390 5.526 -2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.084 9.009 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.719 8.828 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.470 5.334 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.493 6.763 -1.421 1.00 0.00 H new ATOM 730 N GLY A 48 -11.487 1.944 -2.326 1.00 0.00 N ATOM 731 CA GLY A 48 -11.122 0.629 -2.838 1.00 0.00 C ATOM 732 C GLY A 48 -9.645 0.483 -3.134 1.00 0.00 C ATOM 733 O GLY A 48 -9.193 -0.584 -3.574 1.00 0.00 O ATOM 0 H GLY A 48 -11.329 2.078 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.415 -0.129 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.688 0.433 -3.749 1.00 0.00 H new ATOM 737 N PHE A 49 -8.889 1.535 -2.902 1.00 0.00 N ATOM 738 CA PHE A 49 -7.460 1.498 -3.105 1.00 0.00 C ATOM 739 C PHE A 49 -6.793 2.415 -2.090 1.00 0.00 C ATOM 740 O PHE A 49 -7.478 3.232 -1.444 1.00 0.00 O ATOM 741 CB PHE A 49 -7.078 1.874 -4.558 1.00 0.00 C ATOM 742 CG PHE A 49 -7.255 3.315 -4.927 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.506 3.844 -5.197 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.150 4.133 -5.014 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.648 5.173 -5.543 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.280 5.461 -5.360 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.532 5.984 -5.624 1.00 0.00 C ATOM 0 H PHE A 49 -9.245 2.431 -2.570 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.104 0.479 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.035 1.602 -4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.676 1.268 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.379 3.211 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.170 3.729 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.628 5.577 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.406 6.091 -5.425 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.638 7.025 -5.893 1.00 0.00 H new ATOM 757 N GLY A 50 -5.508 2.266 -1.920 1.00 0.00 N ATOM 758 CA GLY A 50 -4.788 3.052 -0.973 1.00 0.00 C ATOM 759 C GLY A 50 -3.333 3.154 -1.328 1.00 0.00 C ATOM 760 O GLY A 50 -2.875 2.535 -2.297 1.00 0.00 O ATOM 0 H GLY A 50 -4.937 1.596 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.222 4.051 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.891 2.611 0.019 1.00 0.00 H new ATOM 764 N PHE A 51 -2.610 3.924 -0.564 1.00 0.00 N ATOM 765 CA PHE A 51 -1.194 4.108 -0.776 1.00 0.00 C ATOM 766 C PHE A 51 -0.426 3.862 0.510 1.00 0.00 C ATOM 767 O PHE A 51 -0.823 4.337 1.580 1.00 0.00 O ATOM 768 CB PHE A 51 -0.875 5.519 -1.273 1.00 0.00 C ATOM 769 CG PHE A 51 -1.364 5.875 -2.649 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.564 5.655 -3.757 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.599 6.461 -2.831 1.00 0.00 C ATOM 772 CE1 PHE A 51 -0.991 6.009 -5.018 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.033 6.822 -4.089 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.229 6.595 -5.186 1.00 0.00 C ATOM 0 H PHE A 51 -2.984 4.446 0.228 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.891 3.388 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.298 6.233 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.207 5.651 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.407 5.200 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.235 6.640 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.358 5.828 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.002 7.282 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.567 6.875 -6.173 1.00 0.00 H new ATOM 784 N VAL A 52 0.667 3.150 0.391 1.00 0.00 N ATOM 785 CA VAL A 52 1.540 2.824 1.518 1.00 0.00 C ATOM 786 C VAL A 52 2.899 3.502 1.278 1.00 0.00 C ATOM 787 O VAL A 52 3.331 3.609 0.126 1.00 0.00 O ATOM 788 CB VAL A 52 1.755 1.279 1.615 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.570 0.902 2.842 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.426 0.539 1.616 1.00 0.00 C ATOM 0 H VAL A 52 0.990 2.770 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 52 1.085 3.172 2.445 1.00 0.00 H new ATOM 0 HB VAL A 52 2.318 0.978 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.698 -0.180 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.547 1.382 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.049 1.233 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.607 -0.534 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.169 0.862 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.113 0.758 0.694 1.00 0.00 H new ATOM 800 N THR A 53 3.534 3.983 2.318 1.00 0.00 N ATOM 801 CA THR A 53 4.822 4.627 2.200 1.00 0.00 C ATOM 802 C THR A 53 5.950 3.797 2.815 1.00 0.00 C ATOM 803 O THR A 53 5.892 3.397 3.991 1.00 0.00 O ATOM 804 CB THR A 53 4.785 6.034 2.825 1.00 0.00 C ATOM 805 OG1 THR A 53 3.842 6.793 2.113 1.00 0.00 O ATOM 806 CG2 THR A 53 6.137 6.729 2.742 1.00 0.00 C ATOM 0 H THR A 53 3.174 3.940 3.271 1.00 0.00 H new ATOM 0 HA THR A 53 5.035 4.716 1.135 1.00 0.00 H new ATOM 0 HB THR A 53 4.523 5.943 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.534 7.538 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.066 7.718 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.883 6.139 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.432 6.828 1.697 1.00 0.00 H new ATOM 814 N PHE A 54 6.963 3.554 2.010 1.00 0.00 N ATOM 815 CA PHE A 54 8.138 2.824 2.413 1.00 0.00 C ATOM 816 C PHE A 54 9.330 3.756 2.424 1.00 0.00 C ATOM 817 O PHE A 54 9.373 4.719 1.669 1.00 0.00 O ATOM 818 CB PHE A 54 8.419 1.664 1.463 1.00 0.00 C ATOM 819 CG PHE A 54 7.407 0.556 1.502 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.294 0.584 0.678 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.579 -0.523 2.355 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.374 -0.438 0.704 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.660 -1.550 2.386 1.00 0.00 C ATOM 824 CZ PHE A 54 5.555 -1.504 1.559 1.00 0.00 C ATOM 0 H PHE A 54 6.989 3.866 1.039 1.00 0.00 H new ATOM 0 HA PHE A 54 7.964 2.420 3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.473 2.052 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.399 1.250 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.147 1.418 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.443 -0.559 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.511 -0.405 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.803 -2.387 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.831 -2.305 1.582 1.00 0.00 H new ATOM 834 N LYS A 55 10.277 3.459 3.273 1.00 0.00 N ATOM 835 CA LYS A 55 11.494 4.260 3.422 1.00 0.00 C ATOM 836 C LYS A 55 12.564 3.908 2.405 1.00 0.00 C ATOM 837 O LYS A 55 13.275 4.770 1.923 1.00 0.00 O ATOM 838 CB LYS A 55 12.054 4.101 4.836 1.00 0.00 C ATOM 839 CG LYS A 55 11.838 2.712 5.444 1.00 0.00 C ATOM 840 CD LYS A 55 12.613 2.542 6.730 1.00 0.00 C ATOM 841 CE LYS A 55 14.012 1.995 6.475 1.00 0.00 C ATOM 842 NZ LYS A 55 13.970 0.570 6.032 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.239 2.650 3.893 1.00 0.00 H new ATOM 0 HA LYS A 55 11.212 5.297 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.123 4.315 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.591 4.845 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.776 2.559 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.146 1.949 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.685 3.502 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.073 1.867 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.507 2.599 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.607 2.077 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.756 0.047 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.067 0.143 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.058 0.526 4.997 1.00 0.00 H new ATOM 856 N ASP A 56 12.685 2.654 2.125 1.00 0.00 N ATOM 857 CA ASP A 56 13.698 2.154 1.210 1.00 0.00 C ATOM 858 C ASP A 56 13.035 1.514 0.017 1.00 0.00 C ATOM 859 O ASP A 56 11.850 1.116 0.091 1.00 0.00 O ATOM 860 CB ASP A 56 14.611 1.146 1.925 1.00 0.00 C ATOM 861 CG ASP A 56 13.861 -0.012 2.514 1.00 0.00 C ATOM 862 OD1 ASP A 56 13.207 0.179 3.574 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 13.905 -1.105 1.948 1.00 0.00 O ATOM 0 H ASP A 56 12.087 1.928 2.519 1.00 0.00 H new ATOM 0 HA ASP A 56 14.311 2.987 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.351 0.770 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.158 1.658 2.717 1.00 0.00 H new ATOM 868 N GLU A 57 13.762 1.399 -1.074 1.00 0.00 N ATOM 869 CA GLU A 57 13.203 0.849 -2.279 1.00 0.00 C ATOM 870 C GLU A 57 13.212 -0.668 -2.209 1.00 0.00 C ATOM 871 O GLU A 57 12.358 -1.337 -2.818 1.00 0.00 O ATOM 872 CB GLU A 57 13.901 1.372 -3.545 1.00 0.00 C ATOM 873 CG GLU A 57 13.198 0.938 -4.823 1.00 0.00 C ATOM 874 CD GLU A 57 13.727 1.576 -6.074 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.162 2.725 -6.042 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 13.632 0.964 -7.161 1.00 0.00 O ATOM 0 H GLU A 57 14.740 1.680 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 57 12.169 1.185 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.942 2.461 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.931 1.014 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.283 -0.144 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.136 1.168 -4.734 1.00 0.00 H new ATOM 883 N LYS A 58 14.145 -1.208 -1.430 1.00 0.00 N ATOM 884 CA LYS A 58 14.232 -2.644 -1.182 1.00 0.00 C ATOM 885 C LYS A 58 12.896 -3.182 -0.682 1.00 0.00 C ATOM 886 O LYS A 58 12.312 -4.056 -1.309 1.00 0.00 O ATOM 887 CB LYS A 58 15.370 -2.963 -0.173 1.00 0.00 C ATOM 888 CG LYS A 58 15.300 -4.354 0.501 1.00 0.00 C ATOM 889 CD LYS A 58 15.365 -5.521 -0.484 1.00 0.00 C ATOM 890 CE LYS A 58 15.190 -6.862 0.242 1.00 0.00 C ATOM 891 NZ LYS A 58 13.840 -7.011 0.861 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.862 -0.662 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 58 14.469 -3.140 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.325 -2.879 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.363 -2.201 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.121 -4.445 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.375 -4.424 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.587 -5.408 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.322 -5.508 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.353 -7.676 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.952 -6.953 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.942 -7.156 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.281 -6.151 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.355 -7.830 0.442 1.00 0.00 H new ATOM 905 N ALA A 59 12.426 -2.648 0.422 1.00 0.00 N ATOM 906 CA ALA A 59 11.172 -3.053 1.027 1.00 0.00 C ATOM 907 C ALA A 59 9.995 -2.722 0.135 1.00 0.00 C ATOM 908 O ALA A 59 9.022 -3.460 0.082 1.00 0.00 O ATOM 909 CB ALA A 59 11.006 -2.371 2.364 1.00 0.00 C ATOM 0 H ALA A 59 12.909 -1.910 0.934 1.00 0.00 H new ATOM 0 HA ALA A 59 11.198 -4.134 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.062 -2.678 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.830 -2.651 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.006 -1.290 2.224 1.00 0.00 H new ATOM 915 N MET A 60 10.104 -1.627 -0.584 1.00 0.00 N ATOM 916 CA MET A 60 9.033 -1.176 -1.443 1.00 0.00 C ATOM 917 C MET A 60 8.836 -2.143 -2.618 1.00 0.00 C ATOM 918 O MET A 60 7.722 -2.581 -2.872 1.00 0.00 O ATOM 919 CB MET A 60 9.294 0.273 -1.883 1.00 0.00 C ATOM 920 CG MET A 60 8.152 0.971 -2.623 1.00 0.00 C ATOM 921 SD MET A 60 7.997 0.528 -4.355 1.00 0.00 S ATOM 922 CE MET A 60 9.610 0.998 -4.959 1.00 0.00 C ATOM 0 H MET A 60 10.930 -1.029 -0.590 1.00 0.00 H new ATOM 0 HA MET A 60 8.092 -1.177 -0.893 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.538 0.861 -0.998 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.175 0.282 -2.525 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.215 0.739 -2.118 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.295 2.049 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.544 1.247 -6.018 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.968 1.865 -4.404 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.305 0.169 -4.824 1.00 0.00 H new ATOM 932 N ARG A 61 9.925 -2.522 -3.291 1.00 0.00 N ATOM 933 CA ARG A 61 9.826 -3.484 -4.398 1.00 0.00 C ATOM 934 C ARG A 61 9.468 -4.853 -3.881 1.00 0.00 C ATOM 935 O ARG A 61 8.682 -5.564 -4.482 1.00 0.00 O ATOM 936 CB ARG A 61 11.116 -3.588 -5.223 1.00 0.00 C ATOM 937 CG ARG A 61 11.483 -2.356 -6.026 1.00 0.00 C ATOM 938 CD ARG A 61 10.325 -1.862 -6.888 1.00 0.00 C ATOM 939 NE ARG A 61 9.692 -2.907 -7.717 1.00 0.00 N ATOM 940 CZ ARG A 61 8.966 -2.663 -8.809 1.00 0.00 C ATOM 941 NH1 ARG A 61 8.875 -1.415 -9.303 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 8.305 -3.653 -9.393 1.00 0.00 N ATOM 0 H ARG A 61 10.869 -2.187 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 61 9.041 -3.107 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.940 -3.818 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.021 -4.431 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.793 -1.561 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.338 -2.582 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.568 -1.422 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.687 -1.068 -7.541 1.00 0.00 H new ATOM 0 HE ARG A 61 9.818 -3.879 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.363 -0.647 -8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.318 -1.237 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.353 -4.596 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.748 -3.472 -10.228 1.00 0.00 H new ATOM 956 N ASP A 62 10.014 -5.182 -2.727 1.00 0.00 N ATOM 957 CA ASP A 62 9.809 -6.482 -2.071 1.00 0.00 C ATOM 958 C ASP A 62 8.318 -6.682 -1.821 1.00 0.00 C ATOM 959 O ASP A 62 7.769 -7.767 -1.997 1.00 0.00 O ATOM 960 CB ASP A 62 10.552 -6.466 -0.741 1.00 0.00 C ATOM 961 CG ASP A 62 10.988 -7.816 -0.255 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.130 -8.221 -0.612 1.00 0.00 O ATOM 963 OD2 ASP A 62 10.306 -8.410 0.549 1.00 0.00 O1- ATOM 0 H ASP A 62 10.622 -4.554 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 62 10.181 -7.292 -2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.430 -5.828 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.910 -6.012 0.014 1.00 0.00 H new ATOM 968 N ALA A 63 7.658 -5.582 -1.496 1.00 0.00 N ATOM 969 CA ALA A 63 6.247 -5.572 -1.229 1.00 0.00 C ATOM 970 C ALA A 63 5.449 -5.723 -2.518 1.00 0.00 C ATOM 971 O ALA A 63 4.388 -6.310 -2.524 1.00 0.00 O ATOM 972 CB ALA A 63 5.873 -4.286 -0.535 1.00 0.00 C ATOM 0 H ALA A 63 8.100 -4.667 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 63 6.009 -6.416 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.802 -4.280 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.420 -4.207 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.127 -3.440 -1.174 1.00 0.00 H new ATOM 978 N ILE A 64 5.967 -5.208 -3.600 1.00 0.00 N ATOM 979 CA ILE A 64 5.286 -5.292 -4.881 1.00 0.00 C ATOM 980 C ILE A 64 5.412 -6.699 -5.429 1.00 0.00 C ATOM 981 O ILE A 64 4.410 -7.392 -5.631 1.00 0.00 O ATOM 982 CB ILE A 64 5.881 -4.288 -5.890 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.762 -2.875 -5.335 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.175 -4.395 -7.245 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.496 -1.849 -6.134 1.00 0.00 C ATOM 0 H ILE A 64 6.863 -4.721 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 64 4.235 -5.045 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 64 6.934 -4.524 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.708 -2.600 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.139 -2.864 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.611 -3.678 -7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.297 -5.404 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.114 -4.180 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.364 -0.869 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.557 -2.098 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.104 -1.831 -7.151 1.00 0.00 H new ATOM 997 N GLU A 65 6.645 -7.139 -5.565 1.00 0.00 N ATOM 998 CA GLU A 65 6.967 -8.436 -6.108 1.00 0.00 C ATOM 999 C GLU A 65 6.428 -9.588 -5.241 1.00 0.00 C ATOM 1000 O GLU A 65 6.156 -10.673 -5.745 1.00 0.00 O ATOM 1001 CB GLU A 65 8.491 -8.569 -6.313 1.00 0.00 C ATOM 1002 CG GLU A 65 9.072 -7.930 -7.600 1.00 0.00 C ATOM 1003 CD GLU A 65 8.834 -6.433 -7.770 1.00 0.00 C ATOM 1004 OE1 GLU A 65 9.637 -5.616 -7.277 1.00 0.00 O ATOM 1005 OE2 GLU A 65 7.875 -6.053 -8.452 1.00 0.00 O1- ATOM 0 H GLU A 65 7.464 -6.594 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 65 6.471 -8.513 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.991 -8.122 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.744 -9.629 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.147 -8.111 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.647 -8.445 -8.461 1.00 0.00 H new ATOM 1012 N GLY A 66 6.272 -9.348 -3.948 1.00 0.00 N ATOM 1013 CA GLY A 66 5.795 -10.395 -3.070 1.00 0.00 C ATOM 1014 C GLY A 66 4.309 -10.314 -2.718 1.00 0.00 C ATOM 1015 O GLY A 66 3.721 -11.309 -2.307 1.00 0.00 O ATOM 0 H GLY A 66 6.465 -8.455 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.990 -11.359 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.374 -10.367 -2.147 1.00 0.00 H new ATOM 1019 N MET A 67 3.688 -9.153 -2.876 1.00 0.00 N ATOM 1020 CA MET A 67 2.285 -9.002 -2.446 1.00 0.00 C ATOM 1021 C MET A 67 1.321 -8.751 -3.590 1.00 0.00 C ATOM 1022 O MET A 67 0.108 -8.756 -3.384 1.00 0.00 O ATOM 1023 CB MET A 67 2.139 -7.890 -1.400 1.00 0.00 C ATOM 1024 CG MET A 67 2.832 -8.172 -0.078 1.00 0.00 C ATOM 1025 SD MET A 67 1.931 -9.328 0.980 1.00 0.00 S ATOM 1026 CE MET A 67 0.559 -8.293 1.494 1.00 0.00 C ATOM 0 H MET A 67 4.109 -8.319 -3.285 1.00 0.00 H new ATOM 0 HA MET A 67 2.017 -9.961 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.538 -6.964 -1.815 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.078 -7.723 -1.211 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.826 -8.573 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.969 -7.233 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.135 -8.684 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.913 -7.275 1.658 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.206 -8.290 0.717 1.00 0.00 H new ATOM 1036 N ASN A 68 1.811 -8.515 -4.782 1.00 0.00 N ATOM 1037 CA ASN A 68 0.890 -8.267 -5.883 1.00 0.00 C ATOM 1038 C ASN A 68 0.201 -9.546 -6.316 1.00 0.00 C ATOM 1039 O ASN A 68 0.842 -10.475 -6.802 1.00 0.00 O ATOM 1040 CB ASN A 68 1.581 -7.598 -7.080 1.00 0.00 C ATOM 1041 CG ASN A 68 0.632 -7.385 -8.256 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.067 -6.381 -8.326 1.00 0.00 O ATOM 1043 ND2 ASN A 68 0.613 -8.313 -9.186 1.00 0.00 N ATOM 0 H ASN A 68 2.803 -8.488 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 68 0.136 -7.573 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.991 -6.637 -6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.421 -8.214 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.003 -8.210 -9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.208 -9.137 -9.097 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.101 -9.582 -6.148 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.866 -10.722 -6.567 1.00 0.00 C ATOM 1052 C GLY A 69 -2.241 -11.644 -5.429 1.00 0.00 C ATOM 1053 O GLY A 69 -2.992 -12.602 -5.635 1.00 0.00 O ATOM 0 H GLY A 69 -1.648 -8.833 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.775 -10.379 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.294 -11.283 -7.306 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.751 -11.369 -4.227 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.059 -12.236 -3.097 1.00 0.00 C ATOM 1059 C GLN A 70 -3.450 -11.945 -2.552 1.00 0.00 C ATOM 1060 O GLN A 70 -4.086 -10.966 -2.966 1.00 0.00 O ATOM 1061 CB GLN A 70 -0.945 -12.197 -2.001 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.694 -10.858 -1.282 1.00 0.00 C ATOM 1063 CD GLN A 70 -1.741 -10.505 -0.242 1.00 0.00 C ATOM 1064 OE1 GLN A 70 -2.708 -9.845 -0.518 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -1.540 -10.951 0.958 1.00 0.00 N ATOM 0 H GLN A 70 -1.152 -10.572 -4.011 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.072 -13.265 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.192 -12.942 -1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.009 -12.510 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.283 -10.895 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.653 -10.062 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.711 -11.508 1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.211 -10.745 1.698 1.00 0.00 H new ATOM 1074 N ASP A 71 -3.919 -12.785 -1.650 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.246 -12.616 -1.081 1.00 0.00 C ATOM 1076 C ASP A 71 -5.170 -11.873 0.220 1.00 0.00 C ATOM 1077 O ASP A 71 -4.369 -12.218 1.111 1.00 0.00 O ATOM 1078 CB ASP A 71 -5.954 -13.957 -0.834 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.395 -13.773 -0.327 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.609 -13.532 0.899 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.314 -13.857 -1.142 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.404 -13.590 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.823 -12.049 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.968 -14.534 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.386 -14.536 -0.106 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.948 -10.851 0.318 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.103 -10.140 1.531 1.00 0.00 C ATOM 1088 C LEU A 72 -7.606 -9.942 1.681 1.00 0.00 C ATOM 1089 O LEU A 72 -8.204 -9.161 0.940 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.351 -8.781 1.434 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.914 -8.082 2.751 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -4.109 -6.831 2.438 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -6.089 -7.718 3.646 1.00 0.00 C ATOM 0 H LEU A 72 -6.501 -10.483 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.690 -10.665 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.458 -8.938 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.989 -8.087 0.886 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.300 -8.799 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.808 -6.350 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.221 -7.103 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.719 -6.142 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.721 -7.233 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.754 -7.038 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.635 -8.622 3.916 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.200 -10.692 2.609 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.654 -10.655 2.892 1.00 0.00 C ATOM 1107 C ASP A 73 -10.489 -10.975 1.626 1.00 0.00 C ATOM 1108 O ASP A 73 -11.352 -10.193 1.191 1.00 0.00 O ATOM 1109 CB ASP A 73 -10.073 -9.320 3.602 1.00 0.00 C ATOM 1110 CG ASP A 73 -11.587 -9.159 3.862 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -12.173 -10.011 4.514 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -12.188 -8.129 3.387 1.00 0.00 O ATOM 0 H ASP A 73 -7.690 -11.352 3.196 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.879 -11.449 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.548 -9.254 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.734 -8.482 2.993 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.144 -12.089 0.977 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.907 -12.577 -0.169 1.00 0.00 C ATOM 1119 C GLY A 74 -10.767 -11.689 -1.386 1.00 0.00 C ATOM 1120 O GLY A 74 -11.674 -11.612 -2.225 1.00 0.00 O ATOM 0 H GLY A 74 -9.342 -12.668 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.574 -13.584 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.960 -12.648 0.104 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.669 -10.984 -1.460 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.403 -10.066 -2.541 1.00 0.00 C ATOM 1126 C ARG A 75 -7.978 -10.178 -2.962 1.00 0.00 C ATOM 1127 O ARG A 75 -7.118 -10.462 -2.148 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.655 -8.631 -2.115 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.785 -7.931 -2.843 1.00 0.00 C ATOM 1130 CD ARG A 75 -12.151 -8.526 -2.507 1.00 0.00 C ATOM 1131 NE ARG A 75 -12.369 -8.662 -1.050 1.00 0.00 N ATOM 1132 CZ ARG A 75 -13.427 -8.229 -0.362 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -14.352 -7.466 -0.946 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -13.529 -8.525 0.929 1.00 0.00 N ATOM 0 H ARG A 75 -8.924 -11.030 -0.764 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.070 -10.324 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.870 -8.618 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.739 -8.059 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.779 -6.872 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.617 -7.997 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.932 -7.895 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.243 -9.505 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.637 -9.134 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.255 -7.208 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.157 -7.141 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.803 -9.078 1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.333 -8.199 1.465 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.726 -9.901 -4.200 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.383 -9.933 -4.719 1.00 0.00 C ATOM 1150 C ASN A 76 -5.948 -8.528 -4.914 1.00 0.00 C ATOM 1151 O ASN A 76 -6.440 -7.828 -5.806 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.290 -10.700 -6.049 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.739 -12.148 -5.954 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -7.904 -12.457 -6.169 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.826 -13.043 -5.656 1.00 0.00 N ATOM 0 H ASN A 76 -8.438 -9.646 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.739 -10.456 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.898 -10.189 -6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.259 -10.671 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.079 -14.029 -5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.864 -12.752 -5.483 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.063 -8.102 -4.079 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.597 -6.751 -4.116 1.00 0.00 C ATOM 1164 C ILE A 77 -3.569 -6.547 -5.221 1.00 0.00 C ATOM 1165 O ILE A 77 -2.699 -7.398 -5.467 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.016 -6.295 -2.763 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -2.929 -7.261 -2.293 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.129 -6.196 -1.723 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.057 -6.708 -1.192 1.00 0.00 C ATOM 0 H ILE A 77 -4.640 -8.677 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.469 -6.132 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.566 -5.311 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.399 -8.180 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.300 -7.527 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.709 -5.873 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.874 -5.473 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.600 -7.171 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.310 -7.451 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.557 -5.805 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.673 -6.469 -0.325 1.00 0.00 H new ATOM 1181 N THR A 78 -3.690 -5.448 -5.891 1.00 0.00 N ATOM 1182 CA THR A 78 -2.795 -5.081 -6.939 1.00 0.00 C ATOM 1183 C THR A 78 -1.817 -4.054 -6.378 1.00 0.00 C ATOM 1184 O THR A 78 -2.218 -2.953 -5.987 1.00 0.00 O ATOM 1185 CB THR A 78 -3.589 -4.477 -8.107 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.648 -5.381 -8.451 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.695 -4.263 -9.325 1.00 0.00 C ATOM 0 H THR A 78 -4.429 -4.766 -5.722 1.00 0.00 H new ATOM 0 HA THR A 78 -2.253 -5.952 -7.307 1.00 0.00 H new ATOM 0 HB THR A 78 -3.988 -3.509 -7.803 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.167 -5.009 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.283 -3.835 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.884 -3.583 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.279 -5.219 -9.643 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.565 -4.417 -6.334 1.00 0.00 N ATOM 1196 CA VAL A 79 0.461 -3.603 -5.721 1.00 0.00 C ATOM 1197 C VAL A 79 1.448 -3.179 -6.795 1.00 0.00 C ATOM 1198 O VAL A 79 1.871 -4.000 -7.598 1.00 0.00 O ATOM 1199 CB VAL A 79 1.226 -4.410 -4.619 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.214 -3.531 -3.873 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.265 -5.073 -3.641 1.00 0.00 C ATOM 0 H VAL A 79 -0.220 -5.294 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.005 -2.734 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 79 1.784 -5.194 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.728 -4.123 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.944 -3.127 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.681 -2.711 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.832 -5.624 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.339 -4.310 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.386 -5.760 -4.181 1.00 0.00 H new ATOM 1211 N ASN A 80 1.778 -1.909 -6.841 1.00 0.00 N ATOM 1212 CA ASN A 80 2.753 -1.416 -7.806 1.00 0.00 C ATOM 1213 C ASN A 80 3.479 -0.198 -7.272 1.00 0.00 C ATOM 1214 O ASN A 80 3.112 0.355 -6.212 1.00 0.00 O ATOM 1215 CB ASN A 80 2.125 -1.106 -9.189 1.00 0.00 C ATOM 1216 CG ASN A 80 1.081 -0.003 -9.164 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.395 1.167 -9.287 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.165 -0.376 -9.041 1.00 0.00 N ATOM 0 H ASN A 80 1.390 -1.194 -6.226 1.00 0.00 H new ATOM 0 HA ASN A 80 3.473 -2.221 -7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.919 -0.825 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.668 -2.015 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.909 0.322 -9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.394 -1.365 -8.940 1.00 0.00 H new ATOM 1225 N GLU A 81 4.503 0.214 -7.985 1.00 0.00 N ATOM 1226 CA GLU A 81 5.305 1.340 -7.608 1.00 0.00 C ATOM 1227 C GLU A 81 4.617 2.589 -8.107 1.00 0.00 C ATOM 1228 O GLU A 81 4.515 2.804 -9.312 1.00 0.00 O ATOM 1229 CB GLU A 81 6.716 1.209 -8.243 1.00 0.00 C ATOM 1230 CG GLU A 81 7.743 2.250 -7.786 1.00 0.00 C ATOM 1231 CD GLU A 81 9.117 2.071 -8.444 1.00 0.00 C ATOM 1232 OE1 GLU A 81 9.667 0.961 -8.398 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.685 3.054 -8.974 1.00 0.00 O1- ATOM 0 H GLU A 81 4.800 -0.233 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 81 5.420 1.387 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.106 0.216 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.615 1.274 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.366 3.247 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.855 2.190 -6.703 1.00 0.00 H new ATOM 1240 N ALA A 82 4.111 3.389 -7.184 1.00 0.00 N ATOM 1241 CA ALA A 82 3.482 4.645 -7.546 1.00 0.00 C ATOM 1242 C ALA A 82 4.576 5.604 -7.952 1.00 0.00 C ATOM 1243 O ALA A 82 4.382 6.465 -8.809 1.00 0.00 O ATOM 1244 CB ALA A 82 2.665 5.192 -6.382 1.00 0.00 C ATOM 0 H ALA A 82 4.124 3.192 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 82 2.789 4.502 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.201 6.134 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.890 4.474 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.318 5.359 -5.526 1.00 0.00 H new ATOM 1250 N GLN A 83 5.736 5.392 -7.310 1.00 0.00 N ATOM 1251 CA GLN A 83 7.007 6.056 -7.578 1.00 0.00 C ATOM 1252 C GLN A 83 7.032 7.530 -7.165 1.00 0.00 C ATOM 1253 O GLN A 83 6.158 8.329 -7.514 1.00 0.00 O ATOM 1254 CB GLN A 83 7.441 5.858 -9.034 1.00 0.00 C ATOM 1255 CG GLN A 83 8.856 6.306 -9.342 1.00 0.00 C ATOM 1256 CD GLN A 83 9.238 6.018 -10.774 1.00 0.00 C ATOM 1257 OE1 GLN A 83 9.059 6.858 -11.666 1.00 0.00 O ATOM 1258 NE2 GLN A 83 9.699 4.824 -11.021 1.00 0.00 N ATOM 0 H GLN A 83 5.809 4.715 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 83 7.743 5.569 -6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.346 4.802 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.753 6.403 -9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.949 7.375 -9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.551 5.800 -8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.832 4.161 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.926 4.553 -11.978 1.00 0.00 H new ATOM 1267 N SER A 84 8.033 7.875 -6.420 1.00 0.00 N ATOM 1268 CA SER A 84 8.221 9.214 -5.976 1.00 0.00 C ATOM 1269 C SER A 84 9.213 9.909 -6.914 1.00 0.00 C ATOM 1270 O SER A 84 10.253 9.351 -7.244 1.00 0.00 O ATOM 1271 CB SER A 84 8.763 9.181 -4.554 1.00 0.00 C ATOM 1272 OG SER A 84 7.935 8.372 -3.718 1.00 0.00 O ATOM 0 H SER A 84 8.751 7.225 -6.100 1.00 0.00 H new ATOM 0 HA SER A 84 7.280 9.764 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.780 8.789 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.813 10.194 -4.155 1.00 0.00 H new ATOM 0 HG SER A 84 8.185 8.508 -2.780 1.00 0.00 H new ATOM 1278 N ARG A 85 8.865 11.089 -7.387 1.00 0.00 N ATOM 1279 CA ARG A 85 9.764 11.851 -8.248 1.00 0.00 C ATOM 1280 C ARG A 85 10.163 13.131 -7.546 1.00 0.00 C ATOM 1281 O ARG A 85 9.373 13.661 -6.763 1.00 0.00 O ATOM 1282 CB ARG A 85 9.141 12.190 -9.630 1.00 0.00 C ATOM 1283 CG ARG A 85 8.827 10.999 -10.545 1.00 0.00 C ATOM 1284 CD ARG A 85 7.580 10.237 -10.122 1.00 0.00 C ATOM 1285 NE ARG A 85 7.313 9.090 -10.999 1.00 0.00 N ATOM 1286 CZ ARG A 85 6.184 8.365 -11.000 1.00 0.00 C ATOM 1287 NH1 ARG A 85 5.186 8.682 -10.191 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 6.081 7.298 -11.791 1.00 0.00 N ATOM 0 H ARG A 85 7.973 11.544 -7.194 1.00 0.00 H new ATOM 0 HA ARG A 85 10.635 11.224 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.218 12.745 -9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.823 12.857 -10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.698 11.357 -11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.678 10.318 -10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.698 9.889 -9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.722 10.910 -10.134 1.00 0.00 H new ATOM 0 HE ARG A 85 8.043 8.823 -11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.273 9.481 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.330 8.128 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.860 7.033 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.224 6.746 -11.793 1.00 0.00 H new TER 1302 ARG A 85