USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 798 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 73 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 CYS SG : rot -130:sc= -1.75! USER MOD Set 2.2: A 78 GLN : amide:sc= -6.75! C(o=-8.5!,f=-9.8!) USER MOD Set 3.1: A 32 CYS SG : rot -131:sc= -2.38! USER MOD Set 3.2: A 35 CYS SG : rot 102:sc= 0.72! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.465 X(o=-0.46,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.11 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 0.0439 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.00147 K(o=0.0015,f=-4!) USER MOD Single : A 44 SER OG : rot 101:sc= 0.914 USER MOD Single : A 46 SER OG : rot 176:sc= 1.11 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 51 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.6!) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 63 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 67 SER OG : rot 110:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00774 USER MOD Single : A 76 THR OG1 : rot 115:sc= 1.34 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= -1.99 (180deg=-2.27) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= -0.641 (180deg=-2.08) USER MOD Single : A 93 ASN : amide:sc= -8.22! K(o=-8.2!,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 82:sc= 0.477 USER MOD Single : A 102 ASN : amide:sc= -0.047 K(o=-0.047,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.664 0.316 9.327 1.00 1.01 N ATOM 21 CA VAL A 2 -2.635 -0.036 8.305 1.00 0.51 C ATOM 22 C VAL A 2 -1.621 -1.025 8.896 1.00 0.56 C ATOM 23 O VAL A 2 -1.244 -0.915 10.047 1.00 0.98 O ATOM 24 CB VAL A 2 -1.913 1.237 7.878 1.00 0.71 C ATOM 25 CG1 VAL A 2 -0.962 0.910 6.726 1.00 0.80 C ATOM 26 CG2 VAL A 2 -2.944 2.264 7.406 1.00 0.66 C ATOM 0 HA VAL A 2 -3.119 -0.500 7.446 1.00 0.51 H new ATOM 0 HB VAL A 2 -1.348 1.643 8.718 1.00 0.71 H new ATOM 0 HG11 VAL A 2 -0.442 1.816 6.415 1.00 0.80 H new ATOM 0 HG12 VAL A 2 -0.234 0.168 7.055 1.00 0.80 H new ATOM 0 HG13 VAL A 2 -1.531 0.512 5.886 1.00 0.80 H new ATOM 0 HG21 VAL A 2 -2.434 3.177 7.099 1.00 0.66 H new ATOM 0 HG22 VAL A 2 -3.501 1.858 6.562 1.00 0.66 H new ATOM 0 HG23 VAL A 2 -3.632 2.489 8.221 1.00 0.66 H new ATOM 36 N LYS A 3 -1.201 -1.971 8.091 1.00 0.18 N ATOM 37 CA LYS A 3 -0.212 -2.984 8.586 1.00 0.19 C ATOM 38 C LYS A 3 1.173 -2.725 7.977 1.00 0.17 C ATOM 39 O LYS A 3 1.285 -2.268 6.857 1.00 0.15 O ATOM 40 CB LYS A 3 -0.686 -4.379 8.183 1.00 0.19 C ATOM 41 CG LYS A 3 0.339 -5.414 8.654 1.00 0.63 C ATOM 42 CD LYS A 3 -0.359 -6.762 8.845 1.00 0.53 C ATOM 43 CE LYS A 3 -0.997 -7.187 7.520 1.00 2.17 C ATOM 44 NZ LYS A 3 -1.310 -8.644 7.536 1.00 2.43 N ATOM 0 H LYS A 3 -1.496 -2.087 7.121 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.138 -2.908 9.671 1.00 0.19 H new ATOM 0 HB2 LYS A 3 -1.660 -4.587 8.625 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -0.808 -4.436 7.101 1.00 0.19 H new ATOM 0 HG2 LYS A 3 1.142 -5.507 7.923 1.00 0.63 H new ATOM 0 HG3 LYS A 3 0.796 -5.092 9.590 1.00 0.63 H new ATOM 0 HD2 LYS A 3 0.358 -7.513 9.175 1.00 0.53 H new ATOM 0 HD3 LYS A 3 -1.120 -6.685 9.621 1.00 0.53 H new ATOM 0 HE2 LYS A 3 -1.909 -6.615 7.348 1.00 2.17 H new ATOM 0 HE3 LYS A 3 -0.320 -6.963 6.695 1.00 2.17 H new ATOM 0 HZ1 LYS A 3 -1.742 -8.916 6.630 1.00 2.43 H new ATOM 0 HZ2 LYS A 3 -0.434 -9.186 7.678 1.00 2.43 H new ATOM 0 HZ3 LYS A 3 -1.973 -8.848 8.311 1.00 2.43 H new ATOM 58 N GLN A 4 2.197 -3.026 8.736 1.00 0.24 N ATOM 59 CA GLN A 4 3.588 -2.809 8.225 1.00 0.23 C ATOM 60 C GLN A 4 4.216 -4.148 7.815 1.00 0.24 C ATOM 61 O GLN A 4 3.999 -5.157 8.455 1.00 0.28 O ATOM 62 CB GLN A 4 4.429 -2.171 9.332 1.00 0.29 C ATOM 63 CG GLN A 4 5.796 -1.779 8.761 1.00 0.22 C ATOM 64 CD GLN A 4 6.651 -1.165 9.872 1.00 0.72 C ATOM 65 OE1 GLN A 4 7.825 -1.452 9.997 1.00 1.79 O ATOM 66 NE2 GLN A 4 6.102 -0.318 10.700 1.00 0.89 N ATOM 0 H GLN A 4 2.133 -3.409 9.679 1.00 0.24 H new ATOM 0 HA GLN A 4 3.555 -2.154 7.354 1.00 0.23 H new ATOM 0 HB2 GLN A 4 3.922 -1.292 9.730 1.00 0.29 H new ATOM 0 HB3 GLN A 4 4.553 -2.869 10.159 1.00 0.29 H new ATOM 0 HG2 GLN A 4 6.294 -2.655 8.345 1.00 0.22 H new ATOM 0 HG3 GLN A 4 5.672 -1.066 7.946 1.00 0.22 H new ATOM 0 HE21 GLN A 4 5.117 -0.073 10.600 1.00 0.89 H new ATOM 0 HE22 GLN A 4 6.658 0.099 11.447 1.00 0.89 H new ATOM 75 N ILE A 5 4.982 -4.122 6.753 1.00 0.26 N ATOM 76 CA ILE A 5 5.638 -5.384 6.277 1.00 0.29 C ATOM 77 C ILE A 5 7.130 -5.370 6.645 1.00 0.43 C ATOM 78 O ILE A 5 7.631 -4.395 7.171 1.00 0.49 O ATOM 79 CB ILE A 5 5.486 -5.476 4.749 1.00 0.19 C ATOM 80 CG1 ILE A 5 4.008 -5.258 4.368 1.00 0.06 C ATOM 81 CG2 ILE A 5 5.965 -6.857 4.250 1.00 0.26 C ATOM 82 CD1 ILE A 5 3.110 -6.235 5.141 1.00 0.18 C ATOM 0 H ILE A 5 5.182 -3.290 6.197 1.00 0.26 H new ATOM 0 HA ILE A 5 5.165 -6.244 6.752 1.00 0.29 H new ATOM 0 HB ILE A 5 6.097 -4.706 4.279 1.00 0.19 H new ATOM 0 HG12 ILE A 5 3.716 -4.232 4.589 1.00 0.06 H new ATOM 0 HG13 ILE A 5 3.876 -5.403 3.296 1.00 0.06 H new ATOM 0 HG21 ILE A 5 5.853 -6.911 3.167 1.00 0.26 H new ATOM 0 HG22 ILE A 5 7.013 -6.996 4.514 1.00 0.26 H new ATOM 0 HG23 ILE A 5 5.367 -7.640 4.716 1.00 0.26 H new ATOM 0 HD11 ILE A 5 2.069 -6.070 4.863 1.00 0.18 H new ATOM 0 HD12 ILE A 5 3.393 -7.259 4.898 1.00 0.18 H new ATOM 0 HD13 ILE A 5 3.230 -6.070 6.212 1.00 0.18 H new ATOM 94 N GLU A 6 7.805 -6.454 6.362 1.00 0.48 N ATOM 95 CA GLU A 6 9.262 -6.522 6.688 1.00 0.63 C ATOM 96 C GLU A 6 10.012 -7.280 5.588 1.00 0.71 C ATOM 97 O GLU A 6 11.108 -6.913 5.213 1.00 0.93 O ATOM 98 CB GLU A 6 9.445 -7.249 8.021 1.00 0.72 C ATOM 99 CG GLU A 6 8.929 -8.685 7.885 1.00 1.50 C ATOM 100 CD GLU A 6 8.761 -9.300 9.277 1.00 1.64 C ATOM 101 OE1 GLU A 6 9.766 -9.766 9.788 1.00 2.03 O ATOM 102 OE2 GLU A 6 7.636 -9.269 9.749 1.00 1.97 O ATOM 0 H GLU A 6 7.415 -7.288 5.923 1.00 0.48 H new ATOM 0 HA GLU A 6 9.662 -5.511 6.759 1.00 0.63 H new ATOM 0 HB2 GLU A 6 10.497 -7.253 8.305 1.00 0.72 H new ATOM 0 HB3 GLU A 6 8.903 -6.728 8.811 1.00 0.72 H new ATOM 0 HG2 GLU A 6 7.977 -8.692 7.355 1.00 1.50 H new ATOM 0 HG3 GLU A 6 9.627 -9.279 7.295 1.00 1.50 H new ATOM 109 N SER A 7 9.403 -8.324 5.097 1.00 0.55 N ATOM 110 CA SER A 7 10.065 -9.121 4.023 1.00 0.65 C ATOM 111 C SER A 7 9.012 -9.719 3.085 1.00 0.50 C ATOM 112 O SER A 7 7.827 -9.565 3.303 1.00 0.32 O ATOM 113 CB SER A 7 10.873 -10.246 4.665 1.00 0.77 C ATOM 114 OG SER A 7 9.890 -11.095 5.240 1.00 0.80 O ATOM 0 H SER A 7 8.485 -8.658 5.389 1.00 0.55 H new ATOM 0 HA SER A 7 10.723 -8.472 3.446 1.00 0.65 H new ATOM 0 HB2 SER A 7 11.475 -10.776 3.927 1.00 0.77 H new ATOM 0 HB3 SER A 7 11.560 -9.863 5.420 1.00 0.77 H new ATOM 0 HG SER A 7 10.329 -11.854 5.677 1.00 0.80 H new ATOM 120 N LYS A 8 9.465 -10.389 2.061 1.00 0.66 N ATOM 121 CA LYS A 8 8.498 -11.000 1.103 1.00 0.60 C ATOM 122 C LYS A 8 7.769 -12.169 1.764 1.00 0.39 C ATOM 123 O LYS A 8 6.616 -12.432 1.475 1.00 0.47 O ATOM 124 CB LYS A 8 9.252 -11.491 -0.133 1.00 0.84 C ATOM 125 CG LYS A 8 8.249 -12.104 -1.123 1.00 0.85 C ATOM 126 CD LYS A 8 8.958 -12.438 -2.446 1.00 1.25 C ATOM 127 CE LYS A 8 9.566 -13.839 -2.355 1.00 0.33 C ATOM 128 NZ LYS A 8 10.732 -13.962 -3.276 1.00 1.26 N ATOM 0 H LYS A 8 10.451 -10.539 1.847 1.00 0.66 H new ATOM 0 HA LYS A 8 7.763 -10.251 0.808 1.00 0.60 H new ATOM 0 HB2 LYS A 8 9.785 -10.664 -0.602 1.00 0.84 H new ATOM 0 HB3 LYS A 8 10.000 -12.231 0.152 1.00 0.84 H new ATOM 0 HG2 LYS A 8 7.810 -13.006 -0.698 1.00 0.85 H new ATOM 0 HG3 LYS A 8 7.431 -11.407 -1.304 1.00 0.85 H new ATOM 0 HD2 LYS A 8 8.250 -12.389 -3.273 1.00 1.25 H new ATOM 0 HD3 LYS A 8 9.737 -11.704 -2.650 1.00 1.25 H new ATOM 0 HE2 LYS A 8 9.881 -14.040 -1.331 1.00 0.33 H new ATOM 0 HE3 LYS A 8 8.814 -14.586 -2.609 1.00 0.33 H new ATOM 0 HZ1 LYS A 8 11.133 -14.919 -3.202 1.00 1.26 H new ATOM 0 HZ2 LYS A 8 10.422 -13.791 -4.254 1.00 1.26 H new ATOM 0 HZ3 LYS A 8 11.456 -13.262 -3.015 1.00 1.26 H new ATOM 142 N THR A 9 8.453 -12.844 2.636 1.00 0.27 N ATOM 143 CA THR A 9 7.817 -13.996 3.330 1.00 0.18 C ATOM 144 C THR A 9 6.519 -13.545 3.993 1.00 0.13 C ATOM 145 O THR A 9 5.534 -14.256 4.000 1.00 0.22 O ATOM 146 CB THR A 9 8.774 -14.539 4.395 1.00 0.37 C ATOM 147 OG1 THR A 9 9.978 -14.827 3.690 1.00 0.59 O ATOM 148 CG2 THR A 9 8.298 -15.881 4.945 1.00 0.53 C ATOM 0 H THR A 9 9.420 -12.652 2.899 1.00 0.27 H new ATOM 0 HA THR A 9 7.596 -14.779 2.604 1.00 0.18 H new ATOM 0 HB THR A 9 8.864 -13.823 5.212 1.00 0.37 H new ATOM 0 HG1 THR A 9 10.646 -15.181 4.314 1.00 0.59 H new ATOM 0 HG21 THR A 9 9.002 -16.236 5.698 1.00 0.53 H new ATOM 0 HG22 THR A 9 7.313 -15.761 5.396 1.00 0.53 H new ATOM 0 HG23 THR A 9 8.239 -16.606 4.134 1.00 0.53 H new ATOM 156 N ALA A 10 6.554 -12.368 4.535 1.00 0.10 N ATOM 157 CA ALA A 10 5.345 -11.827 5.202 1.00 0.13 C ATOM 158 C ALA A 10 4.371 -11.282 4.156 1.00 0.17 C ATOM 159 O ALA A 10 3.193 -11.578 4.188 1.00 0.17 O ATOM 160 CB ALA A 10 5.756 -10.702 6.144 1.00 0.15 C ATOM 0 H ALA A 10 7.369 -11.755 4.546 1.00 0.10 H new ATOM 0 HA ALA A 10 4.856 -12.623 5.764 1.00 0.13 H new ATOM 0 HB1 ALA A 10 4.872 -10.300 6.638 1.00 0.15 H new ATOM 0 HB2 ALA A 10 6.446 -11.089 6.894 1.00 0.15 H new ATOM 0 HB3 ALA A 10 6.245 -9.911 5.575 1.00 0.15 H new ATOM 166 N PHE A 11 4.889 -10.492 3.253 1.00 0.20 N ATOM 167 CA PHE A 11 4.017 -9.919 2.190 1.00 0.23 C ATOM 168 C PHE A 11 3.082 -11.000 1.646 1.00 0.25 C ATOM 169 O PHE A 11 2.010 -10.710 1.153 1.00 0.25 O ATOM 170 CB PHE A 11 4.902 -9.391 1.061 1.00 0.29 C ATOM 171 CG PHE A 11 4.037 -8.685 0.015 1.00 0.28 C ATOM 172 CD1 PHE A 11 3.348 -7.528 0.337 1.00 0.25 C ATOM 173 CD2 PHE A 11 3.931 -9.194 -1.270 1.00 0.31 C ATOM 174 CE1 PHE A 11 2.570 -6.892 -0.609 1.00 0.25 C ATOM 175 CE2 PHE A 11 3.152 -8.555 -2.213 1.00 0.32 C ATOM 176 CZ PHE A 11 2.473 -7.406 -1.883 1.00 0.29 C ATOM 0 H PHE A 11 5.871 -10.221 3.206 1.00 0.20 H new ATOM 0 HA PHE A 11 3.416 -9.109 2.603 1.00 0.23 H new ATOM 0 HB2 PHE A 11 5.644 -8.699 1.460 1.00 0.29 H new ATOM 0 HB3 PHE A 11 5.449 -10.213 0.600 1.00 0.29 H new ATOM 0 HD1 PHE A 11 3.420 -7.121 1.335 1.00 0.25 H new ATOM 0 HD2 PHE A 11 4.462 -10.097 -1.535 1.00 0.31 H new ATOM 0 HE1 PHE A 11 2.036 -5.990 -0.350 1.00 0.25 H new ATOM 0 HE2 PHE A 11 3.076 -8.958 -3.212 1.00 0.32 H new ATOM 0 HZ PHE A 11 1.864 -6.907 -2.622 1.00 0.29 H new ATOM 186 N GLN A 12 3.512 -12.226 1.747 1.00 0.26 N ATOM 187 CA GLN A 12 2.663 -13.348 1.243 1.00 0.30 C ATOM 188 C GLN A 12 1.518 -13.631 2.217 1.00 0.27 C ATOM 189 O GLN A 12 0.360 -13.611 1.850 1.00 0.27 O ATOM 190 CB GLN A 12 3.526 -14.601 1.096 1.00 0.35 C ATOM 191 CG GLN A 12 4.291 -14.531 -0.227 1.00 0.12 C ATOM 192 CD GLN A 12 3.502 -15.272 -1.307 1.00 0.64 C ATOM 193 OE1 GLN A 12 4.061 -15.957 -2.140 1.00 1.49 O ATOM 194 NE2 GLN A 12 2.201 -15.162 -1.330 1.00 1.24 N ATOM 0 H GLN A 12 4.406 -12.502 2.153 1.00 0.26 H new ATOM 0 HA GLN A 12 2.241 -13.069 0.278 1.00 0.30 H new ATOM 0 HB2 GLN A 12 4.224 -14.677 1.930 1.00 0.35 H new ATOM 0 HB3 GLN A 12 2.900 -15.493 1.122 1.00 0.35 H new ATOM 0 HG2 GLN A 12 4.441 -13.492 -0.519 1.00 0.12 H new ATOM 0 HG3 GLN A 12 5.279 -14.976 -0.113 1.00 0.12 H new ATOM 0 HE21 GLN A 12 1.725 -14.588 -0.633 1.00 1.24 H new ATOM 0 HE22 GLN A 12 1.661 -15.650 -2.044 1.00 1.24 H new ATOM 203 N GLU A 13 1.877 -13.888 3.434 1.00 0.26 N ATOM 204 CA GLU A 13 0.841 -14.193 4.468 1.00 0.24 C ATOM 205 C GLU A 13 -0.264 -13.129 4.467 1.00 0.29 C ATOM 206 O GLU A 13 -1.435 -13.451 4.483 1.00 0.40 O ATOM 207 CB GLU A 13 1.508 -14.234 5.843 1.00 0.29 C ATOM 208 CG GLU A 13 2.543 -15.361 5.865 1.00 0.37 C ATOM 209 CD GLU A 13 2.150 -16.389 6.928 1.00 0.82 C ATOM 210 OE1 GLU A 13 1.256 -17.164 6.628 1.00 1.72 O ATOM 211 OE2 GLU A 13 2.765 -16.341 7.980 1.00 1.32 O ATOM 0 H GLU A 13 2.841 -13.902 3.767 1.00 0.26 H new ATOM 0 HA GLU A 13 0.388 -15.158 4.239 1.00 0.24 H new ATOM 0 HB2 GLU A 13 1.988 -13.279 6.057 1.00 0.29 H new ATOM 0 HB3 GLU A 13 0.760 -14.396 6.619 1.00 0.29 H new ATOM 0 HG2 GLU A 13 2.600 -15.837 4.886 1.00 0.37 H new ATOM 0 HG3 GLU A 13 3.532 -14.957 6.081 1.00 0.37 H new ATOM 218 N ALA A 14 0.128 -11.885 4.449 1.00 0.33 N ATOM 219 CA ALA A 14 -0.897 -10.799 4.456 1.00 0.41 C ATOM 220 C ALA A 14 -1.925 -11.043 3.350 1.00 0.47 C ATOM 221 O ALA A 14 -3.116 -11.057 3.596 1.00 0.67 O ATOM 222 CB ALA A 14 -0.208 -9.455 4.226 1.00 0.49 C ATOM 0 H ALA A 14 1.099 -11.574 4.430 1.00 0.33 H new ATOM 0 HA ALA A 14 -1.407 -10.791 5.419 1.00 0.41 H new ATOM 0 HB1 ALA A 14 -0.953 -8.659 4.230 1.00 0.49 H new ATOM 0 HB2 ALA A 14 0.518 -9.278 5.020 1.00 0.49 H new ATOM 0 HB3 ALA A 14 0.303 -9.468 3.263 1.00 0.49 H new ATOM 228 N LEU A 15 -1.444 -11.229 2.156 1.00 0.34 N ATOM 229 CA LEU A 15 -2.375 -11.478 1.022 1.00 0.41 C ATOM 230 C LEU A 15 -3.061 -12.834 1.203 1.00 0.44 C ATOM 231 O LEU A 15 -3.982 -13.171 0.483 1.00 0.61 O ATOM 232 CB LEU A 15 -1.581 -11.473 -0.280 1.00 0.35 C ATOM 233 CG LEU A 15 -0.773 -10.170 -0.371 1.00 0.33 C ATOM 234 CD1 LEU A 15 0.105 -10.211 -1.618 1.00 0.26 C ATOM 235 CD2 LEU A 15 -1.731 -8.977 -0.467 1.00 0.36 C ATOM 0 H LEU A 15 -0.453 -11.220 1.915 1.00 0.34 H new ATOM 0 HA LEU A 15 -3.136 -10.698 0.993 1.00 0.41 H new ATOM 0 HB2 LEU A 15 -0.913 -12.333 -0.316 1.00 0.35 H new ATOM 0 HB3 LEU A 15 -2.255 -11.557 -1.132 1.00 0.35 H new ATOM 0 HG LEU A 15 -0.150 -10.065 0.517 1.00 0.33 H new ATOM 0 HD11 LEU A 15 0.681 -9.288 -1.688 1.00 0.26 H new ATOM 0 HD12 LEU A 15 0.786 -11.060 -1.556 1.00 0.26 H new ATOM 0 HD13 LEU A 15 -0.524 -10.314 -2.502 1.00 0.26 H new ATOM 0 HD21 LEU A 15 -1.156 -8.053 -0.531 1.00 0.36 H new ATOM 0 HD22 LEU A 15 -2.353 -9.080 -1.356 1.00 0.36 H new ATOM 0 HD23 LEU A 15 -2.366 -8.948 0.418 1.00 0.36 H new ATOM 247 N ASP A 16 -2.595 -13.584 2.163 1.00 0.32 N ATOM 248 CA ASP A 16 -3.207 -14.920 2.417 1.00 0.40 C ATOM 249 C ASP A 16 -4.270 -14.806 3.509 1.00 0.44 C ATOM 250 O ASP A 16 -5.167 -15.621 3.597 1.00 0.53 O ATOM 251 CB ASP A 16 -2.118 -15.895 2.862 1.00 0.37 C ATOM 252 CG ASP A 16 -2.561 -17.328 2.556 1.00 0.56 C ATOM 253 OD1 ASP A 16 -3.270 -17.866 3.391 1.00 0.88 O ATOM 254 OD2 ASP A 16 -2.167 -17.802 1.504 1.00 1.23 O ATOM 0 H ASP A 16 -1.822 -13.333 2.779 1.00 0.32 H new ATOM 0 HA ASP A 16 -3.675 -15.284 1.502 1.00 0.40 H new ATOM 0 HB2 ASP A 16 -1.184 -15.674 2.346 1.00 0.37 H new ATOM 0 HB3 ASP A 16 -1.927 -15.782 3.929 1.00 0.37 H new ATOM 259 N ALA A 17 -4.140 -13.790 4.314 1.00 0.42 N ATOM 260 CA ALA A 17 -5.127 -13.583 5.416 1.00 0.52 C ATOM 261 C ALA A 17 -6.076 -12.436 5.056 1.00 0.57 C ATOM 262 O ALA A 17 -6.932 -12.066 5.835 1.00 0.55 O ATOM 263 CB ALA A 17 -4.375 -13.238 6.701 1.00 0.57 C ATOM 0 H ALA A 17 -3.396 -13.094 4.259 1.00 0.42 H new ATOM 0 HA ALA A 17 -5.708 -14.494 5.560 1.00 0.52 H new ATOM 0 HB1 ALA A 17 -5.089 -13.085 7.510 1.00 0.57 H new ATOM 0 HB2 ALA A 17 -3.702 -14.056 6.960 1.00 0.57 H new ATOM 0 HB3 ALA A 17 -3.797 -12.326 6.551 1.00 0.57 H new ATOM 269 N ALA A 18 -5.904 -11.899 3.878 1.00 0.64 N ATOM 270 CA ALA A 18 -6.784 -10.773 3.448 1.00 0.70 C ATOM 271 C ALA A 18 -8.102 -11.311 2.884 1.00 0.69 C ATOM 272 O ALA A 18 -9.107 -10.628 2.893 1.00 0.81 O ATOM 273 CB ALA A 18 -6.064 -9.962 2.371 1.00 0.87 C ATOM 0 H ALA A 18 -5.199 -12.188 3.200 1.00 0.64 H new ATOM 0 HA ALA A 18 -7.003 -10.142 4.309 1.00 0.70 H new ATOM 0 HB1 ALA A 18 -6.700 -9.137 2.051 1.00 0.87 H new ATOM 0 HB2 ALA A 18 -5.132 -9.566 2.775 1.00 0.87 H new ATOM 0 HB3 ALA A 18 -5.845 -10.604 1.518 1.00 0.87 H new ATOM 279 N GLY A 19 -8.072 -12.525 2.406 1.00 0.82 N ATOM 280 CA GLY A 19 -9.316 -13.114 1.836 1.00 0.79 C ATOM 281 C GLY A 19 -9.477 -12.696 0.380 1.00 0.76 C ATOM 282 O GLY A 19 -9.381 -13.506 -0.520 1.00 1.47 O ATOM 0 H GLY A 19 -7.250 -13.128 2.385 1.00 0.82 H new ATOM 0 HA2 GLY A 19 -9.278 -14.201 1.908 1.00 0.79 H new ATOM 0 HA3 GLY A 19 -10.180 -12.786 2.414 1.00 0.79 H new ATOM 286 N ASP A 20 -9.718 -11.439 0.182 1.00 0.34 N ATOM 287 CA ASP A 20 -9.887 -10.934 -1.214 1.00 0.30 C ATOM 288 C ASP A 20 -10.228 -9.439 -1.214 1.00 0.25 C ATOM 289 O ASP A 20 -10.012 -8.758 -2.196 1.00 0.41 O ATOM 290 CB ASP A 20 -11.007 -11.713 -1.899 1.00 0.36 C ATOM 291 CG ASP A 20 -11.658 -10.827 -2.964 1.00 2.22 C ATOM 292 OD1 ASP A 20 -11.168 -10.875 -4.080 1.00 3.23 O ATOM 293 OD2 ASP A 20 -12.606 -10.151 -2.601 1.00 2.87 O ATOM 0 H ASP A 20 -9.806 -10.736 0.916 1.00 0.34 H new ATOM 0 HA ASP A 20 -8.950 -11.075 -1.754 1.00 0.30 H new ATOM 0 HB2 ASP A 20 -10.609 -12.619 -2.356 1.00 0.36 H new ATOM 0 HB3 ASP A 20 -11.750 -12.026 -1.165 1.00 0.36 H new ATOM 298 N LYS A 21 -10.764 -8.960 -0.118 1.00 0.15 N ATOM 299 CA LYS A 21 -11.113 -7.508 -0.048 1.00 0.32 C ATOM 300 C LYS A 21 -9.975 -6.675 -0.640 1.00 0.35 C ATOM 301 O LYS A 21 -8.832 -7.070 -0.589 1.00 0.45 O ATOM 302 CB LYS A 21 -11.326 -7.111 1.412 1.00 0.42 C ATOM 303 CG LYS A 21 -12.557 -7.835 1.957 1.00 0.29 C ATOM 304 CD LYS A 21 -12.240 -8.376 3.353 1.00 0.44 C ATOM 305 CE LYS A 21 -13.497 -9.018 3.942 1.00 0.43 C ATOM 306 NZ LYS A 21 -13.203 -9.608 5.278 1.00 1.27 N ATOM 0 H LYS A 21 -10.972 -9.503 0.720 1.00 0.15 H new ATOM 0 HA LYS A 21 -12.025 -7.326 -0.616 1.00 0.32 H new ATOM 0 HB2 LYS A 21 -10.447 -7.368 2.003 1.00 0.42 H new ATOM 0 HB3 LYS A 21 -11.459 -6.032 1.492 1.00 0.42 H new ATOM 0 HG2 LYS A 21 -13.406 -7.153 2.002 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.839 -8.651 1.292 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.435 -9.109 3.298 1.00 0.44 H new ATOM 0 HD3 LYS A 21 -11.893 -7.569 3.998 1.00 0.44 H new ATOM 0 HE2 LYS A 21 -14.286 -8.271 4.033 1.00 0.43 H new ATOM 0 HE3 LYS A 21 -13.867 -9.792 3.269 1.00 0.43 H new ATOM 0 HZ1 LYS A 21 -14.067 -10.040 5.664 1.00 1.27 H new ATOM 0 HZ2 LYS A 21 -12.466 -10.335 5.182 1.00 1.27 H new ATOM 0 HZ3 LYS A 21 -12.871 -8.862 5.922 1.00 1.27 H new ATOM 320 N LEU A 22 -10.315 -5.544 -1.196 1.00 0.28 N ATOM 321 CA LEU A 22 -9.258 -4.676 -1.803 1.00 0.31 C ATOM 322 C LEU A 22 -8.034 -4.605 -0.885 1.00 0.26 C ATOM 323 O LEU A 22 -8.168 -4.438 0.312 1.00 0.27 O ATOM 324 CB LEU A 22 -9.817 -3.268 -1.996 1.00 0.40 C ATOM 325 CG LEU A 22 -10.136 -3.040 -3.473 1.00 0.39 C ATOM 326 CD1 LEU A 22 -10.900 -1.722 -3.612 1.00 1.62 C ATOM 327 CD2 LEU A 22 -8.829 -2.957 -4.274 1.00 0.89 C ATOM 0 H LEU A 22 -11.267 -5.184 -1.258 1.00 0.28 H new ATOM 0 HA LEU A 22 -8.960 -5.100 -2.762 1.00 0.31 H new ATOM 0 HB2 LEU A 22 -10.717 -3.138 -1.395 1.00 0.40 H new ATOM 0 HB3 LEU A 22 -9.094 -2.529 -1.652 1.00 0.40 H new ATOM 0 HG LEU A 22 -10.739 -3.864 -3.854 1.00 0.39 H new ATOM 0 HD11 LEU A 22 -11.134 -1.546 -4.662 1.00 1.62 H new ATOM 0 HD12 LEU A 22 -11.825 -1.775 -3.038 1.00 1.62 H new ATOM 0 HD13 LEU A 22 -10.286 -0.904 -3.236 1.00 1.62 H new ATOM 0 HD21 LEU A 22 -9.057 -2.794 -5.327 1.00 0.89 H new ATOM 0 HD22 LEU A 22 -8.226 -2.129 -3.901 1.00 0.89 H new ATOM 0 HD23 LEU A 22 -8.274 -3.889 -4.163 1.00 0.89 H new ATOM 339 N VAL A 23 -6.866 -4.734 -1.468 1.00 0.23 N ATOM 340 CA VAL A 23 -5.617 -4.665 -0.650 1.00 0.19 C ATOM 341 C VAL A 23 -4.673 -3.639 -1.288 1.00 0.18 C ATOM 342 O VAL A 23 -3.939 -3.954 -2.204 1.00 0.18 O ATOM 343 CB VAL A 23 -4.957 -6.064 -0.634 1.00 0.14 C ATOM 344 CG1 VAL A 23 -4.002 -6.210 0.571 1.00 0.13 C ATOM 345 CG2 VAL A 23 -6.047 -7.140 -0.544 1.00 0.14 C ATOM 0 H VAL A 23 -6.725 -4.883 -2.467 1.00 0.23 H new ATOM 0 HA VAL A 23 -5.839 -4.363 0.373 1.00 0.19 H new ATOM 0 HB VAL A 23 -4.382 -6.184 -1.552 1.00 0.14 H new ATOM 0 HG11 VAL A 23 -3.551 -7.202 0.560 1.00 0.13 H new ATOM 0 HG12 VAL A 23 -3.219 -5.454 0.508 1.00 0.13 H new ATOM 0 HG13 VAL A 23 -4.561 -6.077 1.497 1.00 0.13 H new ATOM 0 HG21 VAL A 23 -5.584 -8.127 -0.533 1.00 0.14 H new ATOM 0 HG22 VAL A 23 -6.623 -6.999 0.371 1.00 0.14 H new ATOM 0 HG23 VAL A 23 -6.709 -7.060 -1.406 1.00 0.14 H new ATOM 355 N VAL A 24 -4.712 -2.431 -0.784 1.00 0.18 N ATOM 356 CA VAL A 24 -3.848 -1.360 -1.375 1.00 0.18 C ATOM 357 C VAL A 24 -2.583 -1.143 -0.539 1.00 0.24 C ATOM 358 O VAL A 24 -2.657 -0.901 0.648 1.00 0.41 O ATOM 359 CB VAL A 24 -4.646 -0.060 -1.430 1.00 0.16 C ATOM 360 CG1 VAL A 24 -3.769 1.038 -2.025 1.00 0.17 C ATOM 361 CG2 VAL A 24 -5.875 -0.260 -2.318 1.00 0.10 C ATOM 0 H VAL A 24 -5.296 -2.141 0.000 1.00 0.18 H new ATOM 0 HA VAL A 24 -3.545 -1.668 -2.376 1.00 0.18 H new ATOM 0 HB VAL A 24 -4.962 0.223 -0.426 1.00 0.16 H new ATOM 0 HG11 VAL A 24 -4.332 1.970 -2.068 1.00 0.17 H new ATOM 0 HG12 VAL A 24 -2.886 1.176 -1.402 1.00 0.17 H new ATOM 0 HG13 VAL A 24 -3.462 0.753 -3.031 1.00 0.17 H new ATOM 0 HG21 VAL A 24 -6.448 0.666 -2.360 1.00 0.10 H new ATOM 0 HG22 VAL A 24 -5.557 -0.536 -3.323 1.00 0.10 H new ATOM 0 HG23 VAL A 24 -6.498 -1.053 -1.904 1.00 0.10 H new ATOM 371 N VAL A 25 -1.446 -1.213 -1.188 1.00 0.14 N ATOM 372 CA VAL A 25 -0.158 -1.018 -0.448 1.00 0.17 C ATOM 373 C VAL A 25 0.377 0.395 -0.659 1.00 0.18 C ATOM 374 O VAL A 25 0.033 1.059 -1.616 1.00 0.34 O ATOM 375 CB VAL A 25 0.878 -2.020 -0.961 1.00 0.20 C ATOM 376 CG1 VAL A 25 2.189 -1.823 -0.195 1.00 0.27 C ATOM 377 CG2 VAL A 25 0.374 -3.443 -0.732 1.00 0.30 C ATOM 0 H VAL A 25 -1.353 -1.395 -2.187 1.00 0.14 H new ATOM 0 HA VAL A 25 -0.343 -1.173 0.615 1.00 0.17 H new ATOM 0 HB VAL A 25 1.041 -1.860 -2.027 1.00 0.20 H new ATOM 0 HG11 VAL A 25 2.932 -2.534 -0.556 1.00 0.27 H new ATOM 0 HG12 VAL A 25 2.553 -0.808 -0.352 1.00 0.27 H new ATOM 0 HG13 VAL A 25 2.017 -1.987 0.869 1.00 0.27 H new ATOM 0 HG21 VAL A 25 1.114 -4.154 -1.098 1.00 0.30 H new ATOM 0 HG22 VAL A 25 0.212 -3.604 0.334 1.00 0.30 H new ATOM 0 HG23 VAL A 25 -0.564 -3.587 -1.268 1.00 0.30 H new ATOM 387 N ASP A 26 1.212 0.817 0.254 1.00 0.11 N ATOM 388 CA ASP A 26 1.814 2.178 0.147 1.00 0.10 C ATOM 389 C ASP A 26 3.336 2.067 0.214 1.00 0.11 C ATOM 390 O ASP A 26 3.927 2.181 1.270 1.00 0.17 O ATOM 391 CB ASP A 26 1.317 3.039 1.301 1.00 0.10 C ATOM 392 CG ASP A 26 2.045 4.384 1.279 1.00 0.14 C ATOM 393 OD1 ASP A 26 1.992 5.012 0.234 1.00 0.87 O ATOM 394 OD2 ASP A 26 2.615 4.709 2.308 1.00 1.14 O ATOM 0 H ASP A 26 1.503 0.278 1.069 1.00 0.11 H new ATOM 0 HA ASP A 26 1.525 2.633 -0.800 1.00 0.10 H new ATOM 0 HB2 ASP A 26 0.241 3.193 1.217 1.00 0.10 H new ATOM 0 HB3 ASP A 26 1.494 2.533 2.250 1.00 0.10 H new ATOM 399 N PHE A 27 3.935 1.833 -0.915 1.00 0.07 N ATOM 400 CA PHE A 27 5.416 1.707 -0.949 1.00 0.07 C ATOM 401 C PHE A 27 6.065 3.078 -0.771 1.00 0.07 C ATOM 402 O PHE A 27 6.294 3.792 -1.727 1.00 0.14 O ATOM 403 CB PHE A 27 5.819 1.102 -2.284 1.00 0.06 C ATOM 404 CG PHE A 27 5.476 -0.387 -2.263 1.00 0.07 C ATOM 405 CD1 PHE A 27 6.371 -1.303 -1.743 1.00 0.07 C ATOM 406 CD2 PHE A 27 4.265 -0.840 -2.762 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.068 -2.648 -1.724 1.00 0.07 C ATOM 408 CE2 PHE A 27 3.966 -2.190 -2.738 1.00 0.14 C ATOM 409 CZ PHE A 27 4.867 -3.089 -2.221 1.00 0.10 C ATOM 0 H PHE A 27 3.466 1.724 -1.814 1.00 0.07 H new ATOM 0 HA PHE A 27 5.753 1.064 -0.136 1.00 0.07 H new ATOM 0 HB2 PHE A 27 5.295 1.600 -3.100 1.00 0.06 H new ATOM 0 HB3 PHE A 27 6.886 1.243 -2.457 1.00 0.06 H new ATOM 0 HD1 PHE A 27 7.317 -0.962 -1.348 1.00 0.07 H new ATOM 0 HD2 PHE A 27 3.554 -0.137 -3.170 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.776 -3.355 -1.318 1.00 0.07 H new ATOM 0 HE2 PHE A 27 3.021 -2.539 -3.127 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.630 -4.143 -2.206 1.00 0.10 H new ATOM 419 N SER A 28 6.344 3.415 0.460 1.00 0.11 N ATOM 420 CA SER A 28 6.971 4.737 0.736 1.00 0.13 C ATOM 421 C SER A 28 8.001 4.606 1.860 1.00 0.18 C ATOM 422 O SER A 28 8.285 3.517 2.320 1.00 0.18 O ATOM 423 CB SER A 28 5.883 5.724 1.155 1.00 0.12 C ATOM 424 OG SER A 28 6.482 6.998 0.978 1.00 1.39 O ATOM 0 H SER A 28 6.166 2.835 1.280 1.00 0.11 H new ATOM 0 HA SER A 28 7.473 5.094 -0.163 1.00 0.13 H new ATOM 0 HB2 SER A 28 4.989 5.616 0.541 1.00 0.12 H new ATOM 0 HB3 SER A 28 5.580 5.567 2.190 1.00 0.12 H new ATOM 0 HG SER A 28 5.842 7.698 1.226 1.00 1.39 H new ATOM 430 N ALA A 29 8.536 5.726 2.276 1.00 0.24 N ATOM 431 CA ALA A 29 9.553 5.701 3.372 1.00 0.30 C ATOM 432 C ALA A 29 8.956 6.285 4.658 1.00 0.34 C ATOM 433 O ALA A 29 8.404 7.367 4.654 1.00 0.31 O ATOM 434 CB ALA A 29 10.757 6.537 2.944 1.00 0.25 C ATOM 0 H ALA A 29 8.315 6.651 1.907 1.00 0.24 H new ATOM 0 HA ALA A 29 9.859 4.672 3.562 1.00 0.30 H new ATOM 0 HB1 ALA A 29 11.507 6.527 3.735 1.00 0.25 H new ATOM 0 HB2 ALA A 29 11.185 6.119 2.033 1.00 0.25 H new ATOM 0 HB3 ALA A 29 10.440 7.563 2.758 1.00 0.25 H new ATOM 440 N THR A 30 9.082 5.555 5.734 1.00 0.47 N ATOM 441 CA THR A 30 8.526 6.054 7.026 1.00 0.54 C ATOM 442 C THR A 30 9.560 6.922 7.747 1.00 0.49 C ATOM 443 O THR A 30 9.236 7.959 8.292 1.00 0.53 O ATOM 444 CB THR A 30 8.155 4.858 7.908 1.00 0.71 C ATOM 445 OG1 THR A 30 7.401 5.418 8.979 1.00 0.79 O ATOM 446 CG2 THR A 30 9.387 4.240 8.564 1.00 0.78 C ATOM 0 H THR A 30 9.540 4.645 5.775 1.00 0.47 H new ATOM 0 HA THR A 30 7.640 6.657 6.827 1.00 0.54 H new ATOM 0 HB THR A 30 7.644 4.102 7.312 1.00 0.71 H new ATOM 0 HG1 THR A 30 7.124 4.705 9.592 1.00 0.79 H new ATOM 0 HG21 THR A 30 9.085 3.395 9.182 1.00 0.78 H new ATOM 0 HG22 THR A 30 10.077 3.897 7.793 1.00 0.78 H new ATOM 0 HG23 THR A 30 9.881 4.986 9.187 1.00 0.78 H new ATOM 454 N TRP A 31 10.784 6.477 7.737 1.00 0.61 N ATOM 455 CA TRP A 31 11.858 7.260 8.411 1.00 0.66 C ATOM 456 C TRP A 31 11.911 8.678 7.835 1.00 0.61 C ATOM 457 O TRP A 31 11.919 9.650 8.565 1.00 0.64 O ATOM 458 CB TRP A 31 13.191 6.563 8.169 1.00 0.74 C ATOM 459 CG TRP A 31 13.388 6.409 6.661 1.00 0.68 C ATOM 460 CD1 TRP A 31 12.878 5.411 5.947 1.00 0.63 C ATOM 461 CD2 TRP A 31 14.045 7.258 5.883 1.00 0.70 C ATOM 462 NE1 TRP A 31 13.253 5.691 4.694 1.00 0.59 N ATOM 463 CE2 TRP A 31 13.992 6.842 4.565 1.00 0.65 C ATOM 464 CE3 TRP A 31 14.719 8.433 6.196 1.00 0.79 C ATOM 465 CZ2 TRP A 31 14.598 7.582 3.576 1.00 0.70 C ATOM 466 CZ3 TRP A 31 15.328 9.169 5.200 1.00 0.86 C ATOM 467 CH2 TRP A 31 15.267 8.743 3.892 1.00 0.82 C ATOM 0 H TRP A 31 11.088 5.610 7.294 1.00 0.61 H new ATOM 0 HA TRP A 31 11.654 7.322 9.480 1.00 0.66 H new ATOM 0 HB2 TRP A 31 14.006 7.143 8.601 1.00 0.74 H new ATOM 0 HB3 TRP A 31 13.202 5.587 8.655 1.00 0.74 H new ATOM 0 HD1 TRP A 31 12.297 4.571 6.297 1.00 0.63 H new ATOM 0 HE1 TRP A 31 13.010 5.099 3.900 1.00 0.59 H new ATOM 0 HE3 TRP A 31 14.766 8.771 7.221 1.00 0.79 H new ATOM 0 HZ2 TRP A 31 14.549 7.251 2.549 1.00 0.70 H new ATOM 0 HZ3 TRP A 31 15.853 10.080 5.447 1.00 0.86 H new ATOM 0 HH2 TRP A 31 15.744 9.320 3.114 1.00 0.82 H new ATOM 478 N CYS A 32 11.942 8.765 6.530 1.00 0.56 N ATOM 479 CA CYS A 32 11.997 10.109 5.884 1.00 0.56 C ATOM 480 C CYS A 32 10.855 10.991 6.404 1.00 0.46 C ATOM 481 O CYS A 32 9.836 10.497 6.845 1.00 0.32 O ATOM 482 CB CYS A 32 11.869 9.945 4.372 1.00 0.54 C ATOM 483 SG CYS A 32 11.262 11.366 3.428 1.00 0.64 S ATOM 0 H CYS A 32 11.932 7.971 5.890 1.00 0.56 H new ATOM 0 HA CYS A 32 12.948 10.585 6.124 1.00 0.56 H new ATOM 0 HB2 CYS A 32 12.848 9.673 3.979 1.00 0.54 H new ATOM 0 HB3 CYS A 32 11.203 9.104 4.180 1.00 0.54 H new ATOM 0 HG CYS A 32 10.309 10.983 2.631 1.00 0.64 H new ATOM 489 N GLY A 33 11.052 12.277 6.341 1.00 0.68 N ATOM 490 CA GLY A 33 9.995 13.209 6.831 1.00 0.60 C ATOM 491 C GLY A 33 8.968 13.522 5.726 1.00 0.53 C ATOM 492 O GLY A 33 7.815 13.153 5.826 1.00 0.43 O ATOM 0 H GLY A 33 11.893 12.723 5.974 1.00 0.68 H new ATOM 0 HA2 GLY A 33 9.487 12.767 7.688 1.00 0.60 H new ATOM 0 HA3 GLY A 33 10.455 14.135 7.176 1.00 0.60 H new ATOM 496 N PRO A 34 9.417 14.202 4.688 1.00 0.62 N ATOM 497 CA PRO A 34 8.539 14.582 3.568 1.00 0.64 C ATOM 498 C PRO A 34 7.752 13.375 3.031 1.00 0.57 C ATOM 499 O PRO A 34 6.645 13.524 2.552 1.00 0.57 O ATOM 500 CB PRO A 34 9.479 15.143 2.495 1.00 0.80 C ATOM 501 CG PRO A 34 10.889 15.281 3.146 1.00 0.87 C ATOM 502 CD PRO A 34 10.820 14.631 4.541 1.00 0.76 C ATOM 0 HA PRO A 34 7.789 15.310 3.879 1.00 0.64 H new ATOM 0 HB2 PRO A 34 9.517 14.479 1.631 1.00 0.80 H new ATOM 0 HB3 PRO A 34 9.123 16.110 2.139 1.00 0.80 H new ATOM 0 HG2 PRO A 34 11.645 14.791 2.532 1.00 0.87 H new ATOM 0 HG3 PRO A 34 11.174 16.330 3.225 1.00 0.87 H new ATOM 0 HD2 PRO A 34 11.502 13.785 4.617 1.00 0.76 H new ATOM 0 HD3 PRO A 34 11.101 15.338 5.321 1.00 0.76 H new ATOM 510 N CYS A 35 8.332 12.211 3.121 1.00 0.53 N ATOM 511 CA CYS A 35 7.610 11.003 2.619 1.00 0.46 C ATOM 512 C CYS A 35 6.445 10.661 3.549 1.00 0.34 C ATOM 513 O CYS A 35 5.383 10.278 3.100 1.00 0.37 O ATOM 514 CB CYS A 35 8.574 9.825 2.562 1.00 0.45 C ATOM 515 SG CYS A 35 9.816 9.830 1.245 1.00 0.28 S ATOM 0 H CYS A 35 9.258 12.042 3.513 1.00 0.53 H new ATOM 0 HA CYS A 35 7.220 11.210 1.622 1.00 0.46 H new ATOM 0 HB2 CYS A 35 9.096 9.770 3.517 1.00 0.45 H new ATOM 0 HB3 CYS A 35 7.986 8.912 2.467 1.00 0.45 H new ATOM 0 HG CYS A 35 10.965 10.194 1.733 1.00 0.28 H new ATOM 521 N LYS A 36 6.665 10.807 4.829 1.00 0.26 N ATOM 522 CA LYS A 36 5.576 10.492 5.788 1.00 0.17 C ATOM 523 C LYS A 36 4.627 11.689 5.931 1.00 0.18 C ATOM 524 O LYS A 36 3.542 11.560 6.444 1.00 0.38 O ATOM 525 CB LYS A 36 6.180 10.146 7.152 1.00 0.24 C ATOM 526 CG LYS A 36 5.069 9.612 8.060 1.00 0.31 C ATOM 527 CD LYS A 36 5.673 9.078 9.360 1.00 0.22 C ATOM 528 CE LYS A 36 6.409 10.209 10.083 1.00 0.91 C ATOM 529 NZ LYS A 36 6.344 10.011 11.558 1.00 1.44 N ATOM 0 H LYS A 36 7.540 11.126 5.244 1.00 0.26 H new ATOM 0 HA LYS A 36 5.010 9.640 5.412 1.00 0.17 H new ATOM 0 HB2 LYS A 36 6.967 9.400 7.039 1.00 0.24 H new ATOM 0 HB3 LYS A 36 6.640 11.029 7.597 1.00 0.24 H new ATOM 0 HG2 LYS A 36 4.354 10.405 8.279 1.00 0.31 H new ATOM 0 HG3 LYS A 36 4.520 8.820 7.551 1.00 0.31 H new ATOM 0 HD2 LYS A 36 4.888 8.674 9.999 1.00 0.22 H new ATOM 0 HD3 LYS A 36 6.361 8.261 9.145 1.00 0.22 H new ATOM 0 HE2 LYS A 36 7.449 10.240 9.759 1.00 0.91 H new ATOM 0 HE3 LYS A 36 5.964 11.168 9.818 1.00 0.91 H new ATOM 0 HZ1 LYS A 36 6.848 10.786 12.035 1.00 1.44 H new ATOM 0 HZ2 LYS A 36 5.350 10.004 11.864 1.00 1.44 H new ATOM 0 HZ3 LYS A 36 6.789 9.104 11.807 1.00 1.44 H new ATOM 543 N MET A 37 5.055 12.830 5.473 1.00 0.36 N ATOM 544 CA MET A 37 4.168 14.026 5.583 1.00 0.35 C ATOM 545 C MET A 37 2.835 13.751 4.876 1.00 0.36 C ATOM 546 O MET A 37 1.815 14.311 5.225 1.00 0.33 O ATOM 547 CB MET A 37 4.857 15.223 4.934 1.00 0.38 C ATOM 548 CG MET A 37 4.247 16.512 5.487 1.00 0.37 C ATOM 549 SD MET A 37 4.672 16.970 7.187 1.00 1.90 S ATOM 550 CE MET A 37 6.162 17.922 6.800 1.00 2.37 C ATOM 0 H MET A 37 5.962 12.989 5.035 1.00 0.36 H new ATOM 0 HA MET A 37 3.975 14.241 6.634 1.00 0.35 H new ATOM 0 HB2 MET A 37 5.928 15.196 5.137 1.00 0.38 H new ATOM 0 HB3 MET A 37 4.737 15.184 3.851 1.00 0.38 H new ATOM 0 HG2 MET A 37 4.542 17.332 4.833 1.00 0.37 H new ATOM 0 HG3 MET A 37 3.162 16.427 5.422 1.00 0.37 H new ATOM 0 HE1 MET A 37 6.598 18.307 7.722 1.00 2.37 H new ATOM 0 HE2 MET A 37 6.885 17.279 6.298 1.00 2.37 H new ATOM 0 HE3 MET A 37 5.902 18.755 6.146 1.00 2.37 H new ATOM 560 N ILE A 38 2.879 12.887 3.900 1.00 0.43 N ATOM 561 CA ILE A 38 1.628 12.550 3.151 1.00 0.48 C ATOM 562 C ILE A 38 1.042 11.231 3.667 1.00 0.52 C ATOM 563 O ILE A 38 0.128 10.684 3.083 1.00 0.61 O ATOM 564 CB ILE A 38 1.965 12.401 1.667 1.00 0.64 C ATOM 565 CG1 ILE A 38 2.580 13.714 1.128 1.00 0.83 C ATOM 566 CG2 ILE A 38 0.690 12.052 0.892 1.00 0.80 C ATOM 567 CD1 ILE A 38 1.639 14.902 1.389 1.00 1.43 C ATOM 0 H ILE A 38 3.719 12.401 3.587 1.00 0.43 H new ATOM 0 HA ILE A 38 0.897 13.345 3.296 1.00 0.48 H new ATOM 0 HB ILE A 38 2.694 11.601 1.538 1.00 0.64 H new ATOM 0 HG12 ILE A 38 3.543 13.894 1.607 1.00 0.83 H new ATOM 0 HG13 ILE A 38 2.768 13.621 0.058 1.00 0.83 H new ATOM 0 HG21 ILE A 38 0.926 11.945 -0.167 1.00 0.80 H new ATOM 0 HG22 ILE A 38 0.280 11.115 1.269 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -0.044 12.847 1.022 1.00 0.80 H new ATOM 0 HD11 ILE A 38 2.090 15.816 1.002 1.00 1.43 H new ATOM 0 HD12 ILE A 38 0.686 14.728 0.889 1.00 1.43 H new ATOM 0 HD13 ILE A 38 1.472 15.005 2.461 1.00 1.43 H new ATOM 579 N LYS A 39 1.581 10.751 4.749 1.00 0.51 N ATOM 580 CA LYS A 39 1.069 9.476 5.316 1.00 0.64 C ATOM 581 C LYS A 39 -0.285 9.660 6.056 1.00 0.57 C ATOM 582 O LYS A 39 -1.121 8.786 5.992 1.00 0.59 O ATOM 583 CB LYS A 39 2.118 8.868 6.254 1.00 0.87 C ATOM 584 CG LYS A 39 1.527 7.638 6.953 1.00 0.48 C ATOM 585 CD LYS A 39 2.649 6.865 7.653 1.00 0.95 C ATOM 586 CE LYS A 39 2.151 5.459 7.997 1.00 1.45 C ATOM 587 NZ LYS A 39 2.866 4.928 9.192 1.00 1.50 N ATOM 0 H LYS A 39 2.349 11.183 5.263 1.00 0.51 H new ATOM 0 HA LYS A 39 0.884 8.795 4.485 1.00 0.64 H new ATOM 0 HB2 LYS A 39 3.007 8.587 5.689 1.00 0.87 H new ATOM 0 HB3 LYS A 39 2.431 9.605 6.994 1.00 0.87 H new ATOM 0 HG2 LYS A 39 0.774 7.945 7.679 1.00 0.48 H new ATOM 0 HG3 LYS A 39 1.027 6.998 6.226 1.00 0.48 H new ATOM 0 HD2 LYS A 39 3.525 6.806 7.007 1.00 0.95 H new ATOM 0 HD3 LYS A 39 2.956 7.387 8.559 1.00 0.95 H new ATOM 0 HE2 LYS A 39 1.078 5.484 8.189 1.00 1.45 H new ATOM 0 HE3 LYS A 39 2.307 4.794 7.148 1.00 1.45 H new ATOM 0 HZ1 LYS A 39 3.424 4.093 8.920 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 3.500 5.660 9.571 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 2.174 4.660 9.920 1.00 1.50 H new ATOM 601 N PRO A 40 -0.497 10.784 6.756 1.00 0.51 N ATOM 602 CA PRO A 40 -1.771 10.987 7.458 1.00 0.52 C ATOM 603 C PRO A 40 -2.922 11.002 6.451 1.00 0.44 C ATOM 604 O PRO A 40 -4.080 11.035 6.818 1.00 0.49 O ATOM 605 CB PRO A 40 -1.646 12.343 8.160 1.00 0.49 C ATOM 606 CG PRO A 40 -0.217 12.886 7.869 1.00 0.40 C ATOM 607 CD PRO A 40 0.468 11.897 6.907 1.00 0.45 C ATOM 0 HA PRO A 40 -1.978 10.190 8.172 1.00 0.52 H new ATOM 0 HB2 PRO A 40 -2.403 13.037 7.793 1.00 0.49 H new ATOM 0 HB3 PRO A 40 -1.805 12.236 9.233 1.00 0.49 H new ATOM 0 HG2 PRO A 40 -0.268 13.880 7.425 1.00 0.40 H new ATOM 0 HG3 PRO A 40 0.353 12.979 8.793 1.00 0.40 H new ATOM 0 HD2 PRO A 40 0.685 12.365 5.947 1.00 0.45 H new ATOM 0 HD3 PRO A 40 1.417 11.545 7.311 1.00 0.45 H new ATOM 615 N PHE A 41 -2.570 10.976 5.194 1.00 0.41 N ATOM 616 CA PHE A 41 -3.614 10.978 4.132 1.00 0.39 C ATOM 617 C PHE A 41 -3.961 9.537 3.741 1.00 0.38 C ATOM 618 O PHE A 41 -5.116 9.195 3.582 1.00 0.46 O ATOM 619 CB PHE A 41 -3.082 11.739 2.918 1.00 0.40 C ATOM 620 CG PHE A 41 -3.129 13.239 3.210 1.00 0.37 C ATOM 621 CD1 PHE A 41 -2.095 13.857 3.892 1.00 0.37 C ATOM 622 CD2 PHE A 41 -4.210 13.999 2.797 1.00 0.34 C ATOM 623 CE1 PHE A 41 -2.142 15.212 4.153 1.00 0.35 C ATOM 624 CE2 PHE A 41 -4.254 15.352 3.060 1.00 0.32 C ATOM 625 CZ PHE A 41 -3.221 15.957 3.738 1.00 0.33 C ATOM 0 H PHE A 41 -1.607 10.954 4.858 1.00 0.41 H new ATOM 0 HA PHE A 41 -4.517 11.465 4.501 1.00 0.39 H new ATOM 0 HB2 PHE A 41 -2.060 11.430 2.699 1.00 0.40 H new ATOM 0 HB3 PHE A 41 -3.681 11.508 2.037 1.00 0.40 H new ATOM 0 HD1 PHE A 41 -1.247 13.276 4.222 1.00 0.37 H new ATOM 0 HD2 PHE A 41 -5.024 13.529 2.265 1.00 0.34 H new ATOM 0 HE1 PHE A 41 -1.330 15.687 4.684 1.00 0.35 H new ATOM 0 HE2 PHE A 41 -5.101 15.938 2.733 1.00 0.32 H new ATOM 0 HZ PHE A 41 -3.257 17.016 3.944 1.00 0.33 H new ATOM 635 N PHE A 42 -2.951 8.723 3.592 1.00 0.30 N ATOM 636 CA PHE A 42 -3.206 7.296 3.231 1.00 0.29 C ATOM 637 C PHE A 42 -3.481 6.490 4.502 1.00 0.27 C ATOM 638 O PHE A 42 -4.061 5.424 4.463 1.00 0.33 O ATOM 639 CB PHE A 42 -1.973 6.720 2.528 1.00 0.25 C ATOM 640 CG PHE A 42 -2.132 5.200 2.392 1.00 0.16 C ATOM 641 CD1 PHE A 42 -3.029 4.670 1.481 1.00 0.11 C ATOM 642 CD2 PHE A 42 -1.382 4.334 3.178 1.00 0.15 C ATOM 643 CE1 PHE A 42 -3.175 3.303 1.357 1.00 0.11 C ATOM 644 CE2 PHE A 42 -1.534 2.969 3.051 1.00 0.14 C ATOM 645 CZ PHE A 42 -2.428 2.455 2.142 1.00 0.14 C ATOM 0 H PHE A 42 -1.970 8.979 3.703 1.00 0.30 H new ATOM 0 HA PHE A 42 -4.068 7.239 2.566 1.00 0.29 H new ATOM 0 HB2 PHE A 42 -1.855 7.175 1.544 1.00 0.25 H new ATOM 0 HB3 PHE A 42 -1.073 6.954 3.097 1.00 0.25 H new ATOM 0 HD1 PHE A 42 -3.619 5.331 0.863 1.00 0.11 H new ATOM 0 HD2 PHE A 42 -0.676 4.732 3.892 1.00 0.15 H new ATOM 0 HE1 PHE A 42 -3.877 2.898 0.643 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.949 2.302 3.667 1.00 0.14 H new ATOM 0 HZ PHE A 42 -2.544 1.386 2.044 1.00 0.14 H new ATOM 655 N HIS A 43 -3.048 7.032 5.603 1.00 0.25 N ATOM 656 CA HIS A 43 -3.240 6.337 6.908 1.00 0.30 C ATOM 657 C HIS A 43 -4.614 6.680 7.506 1.00 0.39 C ATOM 658 O HIS A 43 -5.032 6.088 8.481 1.00 0.40 O ATOM 659 CB HIS A 43 -2.133 6.800 7.856 1.00 0.29 C ATOM 660 CG HIS A 43 -2.028 5.847 9.046 1.00 0.35 C ATOM 661 ND1 HIS A 43 -2.879 4.980 9.354 1.00 0.39 N ATOM 662 CD2 HIS A 43 -1.020 5.724 9.990 1.00 0.41 C ATOM 663 CE1 HIS A 43 -2.520 4.325 10.384 1.00 0.43 C ATOM 664 NE2 HIS A 43 -1.343 4.733 10.858 1.00 0.46 N ATOM 0 H HIS A 43 -2.567 7.930 5.658 1.00 0.25 H new ATOM 0 HA HIS A 43 -3.195 5.258 6.763 1.00 0.30 H new ATOM 0 HB2 HIS A 43 -1.182 6.838 7.326 1.00 0.29 H new ATOM 0 HB3 HIS A 43 -2.343 7.810 8.207 1.00 0.29 H new ATOM 0 HD1 HIS A 43 -3.748 4.820 8.844 1.00 0.39 H new ATOM 0 HD2 HIS A 43 -0.121 6.322 10.028 1.00 0.41 H new ATOM 0 HE1 HIS A 43 -3.103 3.529 10.824 1.00 0.43 H new ATOM 672 N SER A 44 -5.286 7.627 6.906 1.00 0.48 N ATOM 673 CA SER A 44 -6.626 8.028 7.437 1.00 0.57 C ATOM 674 C SER A 44 -7.721 7.072 6.948 1.00 0.48 C ATOM 675 O SER A 44 -8.780 6.987 7.537 1.00 0.42 O ATOM 676 CB SER A 44 -6.944 9.446 6.969 1.00 0.73 C ATOM 677 OG SER A 44 -6.495 10.272 8.034 1.00 0.74 O ATOM 0 H SER A 44 -4.971 8.136 6.080 1.00 0.48 H new ATOM 0 HA SER A 44 -6.596 7.986 8.526 1.00 0.57 H new ATOM 0 HB2 SER A 44 -6.430 9.683 6.037 1.00 0.73 H new ATOM 0 HB3 SER A 44 -8.011 9.576 6.787 1.00 0.73 H new ATOM 0 HG SER A 44 -5.623 10.656 7.805 1.00 0.74 H new ATOM 683 N LEU A 45 -7.444 6.377 5.887 1.00 0.47 N ATOM 684 CA LEU A 45 -8.465 5.424 5.350 1.00 0.39 C ATOM 685 C LEU A 45 -8.580 4.204 6.268 1.00 0.29 C ATOM 686 O LEU A 45 -9.467 3.388 6.111 1.00 0.23 O ATOM 687 CB LEU A 45 -8.049 4.969 3.951 1.00 0.41 C ATOM 688 CG LEU A 45 -8.016 6.175 3.005 1.00 0.76 C ATOM 689 CD1 LEU A 45 -6.565 6.594 2.778 1.00 0.94 C ATOM 690 CD2 LEU A 45 -8.640 5.779 1.665 1.00 2.20 C ATOM 0 H LEU A 45 -6.567 6.421 5.368 1.00 0.47 H new ATOM 0 HA LEU A 45 -9.431 5.927 5.302 1.00 0.39 H new ATOM 0 HB2 LEU A 45 -7.067 4.497 3.988 1.00 0.41 H new ATOM 0 HB3 LEU A 45 -8.749 4.221 3.578 1.00 0.41 H new ATOM 0 HG LEU A 45 -8.575 7.002 3.442 1.00 0.76 H new ATOM 0 HD11 LEU A 45 -6.535 7.452 2.106 1.00 0.94 H new ATOM 0 HD12 LEU A 45 -6.111 6.864 3.731 1.00 0.94 H new ATOM 0 HD13 LEU A 45 -6.012 5.766 2.335 1.00 0.94 H new ATOM 0 HD21 LEU A 45 -8.620 6.633 0.988 1.00 2.20 H new ATOM 0 HD22 LEU A 45 -8.074 4.956 1.229 1.00 2.20 H new ATOM 0 HD23 LEU A 45 -9.672 5.466 1.823 1.00 2.20 H new ATOM 702 N SER A 46 -7.680 4.105 7.205 1.00 0.29 N ATOM 703 CA SER A 46 -7.721 2.944 8.142 1.00 0.23 C ATOM 704 C SER A 46 -8.970 3.020 9.027 1.00 0.22 C ATOM 705 O SER A 46 -9.505 2.008 9.436 1.00 0.28 O ATOM 706 CB SER A 46 -6.472 2.969 9.021 1.00 0.41 C ATOM 707 OG SER A 46 -5.940 1.658 8.906 1.00 1.41 O ATOM 0 H SER A 46 -6.923 4.770 7.364 1.00 0.29 H new ATOM 0 HA SER A 46 -7.754 2.019 7.566 1.00 0.23 H new ATOM 0 HB2 SER A 46 -5.759 3.720 8.679 1.00 0.41 H new ATOM 0 HB3 SER A 46 -6.717 3.210 10.055 1.00 0.41 H new ATOM 0 HG SER A 46 -5.093 1.605 9.395 1.00 1.41 H new ATOM 713 N GLU A 47 -9.407 4.222 9.301 1.00 0.32 N ATOM 714 CA GLU A 47 -10.620 4.390 10.159 1.00 0.50 C ATOM 715 C GLU A 47 -11.845 4.693 9.290 1.00 0.55 C ATOM 716 O GLU A 47 -12.969 4.557 9.729 1.00 1.07 O ATOM 717 CB GLU A 47 -10.384 5.546 11.130 1.00 0.66 C ATOM 718 CG GLU A 47 -9.186 5.215 12.021 1.00 0.93 C ATOM 719 CD GLU A 47 -9.148 6.189 13.201 1.00 1.67 C ATOM 720 OE1 GLU A 47 -9.782 7.223 13.069 1.00 2.20 O ATOM 721 OE2 GLU A 47 -8.487 5.844 14.166 1.00 2.10 O ATOM 0 H GLU A 47 -8.981 5.088 8.971 1.00 0.32 H new ATOM 0 HA GLU A 47 -10.802 3.469 10.712 1.00 0.50 H new ATOM 0 HB2 GLU A 47 -10.199 6.468 10.579 1.00 0.66 H new ATOM 0 HB3 GLU A 47 -11.272 5.712 11.740 1.00 0.66 H new ATOM 0 HG2 GLU A 47 -9.260 4.190 12.383 1.00 0.93 H new ATOM 0 HG3 GLU A 47 -8.262 5.284 11.448 1.00 0.93 H new ATOM 728 N LYS A 48 -11.600 5.099 8.074 1.00 0.20 N ATOM 729 CA LYS A 48 -12.739 5.415 7.164 1.00 0.16 C ATOM 730 C LYS A 48 -13.245 4.133 6.489 1.00 0.17 C ATOM 731 O LYS A 48 -14.356 3.701 6.726 1.00 0.29 O ATOM 732 CB LYS A 48 -12.265 6.404 6.099 1.00 0.06 C ATOM 733 CG LYS A 48 -13.320 7.500 5.906 1.00 0.40 C ATOM 734 CD LYS A 48 -13.122 8.586 6.969 1.00 1.37 C ATOM 735 CE LYS A 48 -14.173 9.681 6.770 1.00 1.70 C ATOM 736 NZ LYS A 48 -13.998 10.758 7.783 1.00 3.13 N ATOM 0 H LYS A 48 -10.670 5.225 7.674 1.00 0.20 H new ATOM 0 HA LYS A 48 -13.554 5.853 7.741 1.00 0.16 H new ATOM 0 HB2 LYS A 48 -11.316 6.848 6.398 1.00 0.06 H new ATOM 0 HB3 LYS A 48 -12.091 5.884 5.157 1.00 0.06 H new ATOM 0 HG2 LYS A 48 -13.235 7.931 4.909 1.00 0.40 H new ATOM 0 HG3 LYS A 48 -14.321 7.075 5.985 1.00 0.40 H new ATOM 0 HD2 LYS A 48 -13.211 8.156 7.967 1.00 1.37 H new ATOM 0 HD3 LYS A 48 -12.120 9.008 6.893 1.00 1.37 H new ATOM 0 HE2 LYS A 48 -14.087 10.099 5.767 1.00 1.70 H new ATOM 0 HE3 LYS A 48 -15.172 9.254 6.853 1.00 1.70 H new ATOM 0 HZ1 LYS A 48 -14.718 11.494 7.635 1.00 3.13 H new ATOM 0 HZ2 LYS A 48 -14.103 10.358 8.737 1.00 3.13 H new ATOM 0 HZ3 LYS A 48 -13.051 11.176 7.685 1.00 3.13 H new ATOM 750 N TYR A 49 -12.414 3.554 5.665 1.00 0.11 N ATOM 751 CA TYR A 49 -12.828 2.300 4.968 1.00 0.20 C ATOM 752 C TYR A 49 -12.583 1.088 5.874 1.00 0.28 C ATOM 753 O TYR A 49 -11.456 0.684 6.082 1.00 0.39 O ATOM 754 CB TYR A 49 -12.012 2.148 3.684 1.00 0.26 C ATOM 755 CG TYR A 49 -12.674 2.947 2.561 1.00 0.31 C ATOM 756 CD1 TYR A 49 -13.631 2.363 1.754 1.00 0.37 C ATOM 757 CD2 TYR A 49 -12.326 4.265 2.339 1.00 0.37 C ATOM 758 CE1 TYR A 49 -14.227 3.085 0.741 1.00 0.45 C ATOM 759 CE2 TYR A 49 -12.924 4.986 1.324 1.00 0.42 C ATOM 760 CZ TYR A 49 -13.878 4.402 0.518 1.00 0.46 C ATOM 761 OH TYR A 49 -14.474 5.121 -0.496 1.00 0.54 O ATOM 0 H TYR A 49 -11.476 3.889 5.445 1.00 0.11 H new ATOM 0 HA TYR A 49 -13.890 2.355 4.729 1.00 0.20 H new ATOM 0 HB2 TYR A 49 -10.993 2.501 3.844 1.00 0.26 H new ATOM 0 HB3 TYR A 49 -11.945 1.096 3.406 1.00 0.26 H new ATOM 0 HD1 TYR A 49 -13.915 1.334 1.917 1.00 0.37 H new ATOM 0 HD2 TYR A 49 -11.581 4.735 2.964 1.00 0.37 H new ATOM 0 HE1 TYR A 49 -14.973 2.616 0.117 1.00 0.45 H new ATOM 0 HE2 TYR A 49 -12.642 6.016 1.160 1.00 0.42 H new ATOM 0 HH TYR A 49 -14.110 6.031 -0.509 1.00 0.54 H new ATOM 771 N SER A 50 -13.645 0.533 6.391 1.00 0.30 N ATOM 772 CA SER A 50 -13.489 -0.653 7.284 1.00 0.36 C ATOM 773 C SER A 50 -13.609 -1.944 6.471 1.00 0.28 C ATOM 774 O SER A 50 -13.340 -3.020 6.965 1.00 0.29 O ATOM 775 CB SER A 50 -14.578 -0.621 8.354 1.00 0.45 C ATOM 776 OG SER A 50 -15.771 -0.361 7.628 1.00 0.50 O ATOM 0 H SER A 50 -14.604 0.844 6.237 1.00 0.30 H new ATOM 0 HA SER A 50 -12.506 -0.622 7.754 1.00 0.36 H new ATOM 0 HB2 SER A 50 -14.637 -1.568 8.891 1.00 0.45 H new ATOM 0 HB3 SER A 50 -14.386 0.155 9.095 1.00 0.45 H new ATOM 0 HG SER A 50 -16.530 -0.326 8.247 1.00 0.50 H new ATOM 782 N ASN A 51 -14.010 -1.803 5.236 1.00 0.21 N ATOM 783 CA ASN A 51 -14.160 -3.006 4.364 1.00 0.16 C ATOM 784 C ASN A 51 -12.972 -3.117 3.403 1.00 0.09 C ATOM 785 O ASN A 51 -13.089 -3.677 2.331 1.00 0.40 O ATOM 786 CB ASN A 51 -15.451 -2.879 3.560 1.00 0.27 C ATOM 787 CG ASN A 51 -15.814 -4.241 2.964 1.00 0.32 C ATOM 788 OD1 ASN A 51 -15.161 -5.235 3.216 1.00 1.12 O ATOM 789 ND2 ASN A 51 -16.845 -4.330 2.168 1.00 0.87 N ATOM 0 H ASN A 51 -14.239 -0.913 4.794 1.00 0.21 H new ATOM 0 HA ASN A 51 -14.193 -3.899 4.988 1.00 0.16 H new ATOM 0 HB2 ASN A 51 -16.258 -2.523 4.201 1.00 0.27 H new ATOM 0 HB3 ASN A 51 -15.327 -2.143 2.765 1.00 0.27 H new ATOM 0 HD21 ASN A 51 -17.099 -5.230 1.761 1.00 0.87 H new ATOM 0 HD22 ASN A 51 -17.397 -3.499 1.953 1.00 0.87 H new ATOM 796 N VAL A 52 -11.852 -2.581 3.807 1.00 0.34 N ATOM 797 CA VAL A 52 -10.650 -2.650 2.925 1.00 0.28 C ATOM 798 C VAL A 52 -9.383 -2.794 3.770 1.00 0.26 C ATOM 799 O VAL A 52 -9.319 -2.303 4.880 1.00 0.28 O ATOM 800 CB VAL A 52 -10.562 -1.371 2.093 1.00 0.31 C ATOM 801 CG1 VAL A 52 -9.390 -1.492 1.115 1.00 0.32 C ATOM 802 CG2 VAL A 52 -11.865 -1.191 1.311 1.00 0.31 C ATOM 0 H VAL A 52 -11.717 -2.104 4.698 1.00 0.34 H new ATOM 0 HA VAL A 52 -10.738 -3.515 2.268 1.00 0.28 H new ATOM 0 HB VAL A 52 -10.407 -0.511 2.745 1.00 0.31 H new ATOM 0 HG11 VAL A 52 -9.320 -0.583 0.517 1.00 0.32 H new ATOM 0 HG12 VAL A 52 -8.464 -1.632 1.672 1.00 0.32 H new ATOM 0 HG13 VAL A 52 -9.551 -2.347 0.458 1.00 0.32 H new ATOM 0 HG21 VAL A 52 -11.809 -0.280 0.715 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -12.015 -2.047 0.653 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -12.700 -1.118 2.008 1.00 0.31 H new ATOM 812 N ILE A 53 -8.399 -3.463 3.222 1.00 0.22 N ATOM 813 CA ILE A 53 -7.127 -3.649 3.979 1.00 0.20 C ATOM 814 C ILE A 53 -6.057 -2.687 3.464 1.00 0.19 C ATOM 815 O ILE A 53 -5.992 -2.393 2.280 1.00 0.21 O ATOM 816 CB ILE A 53 -6.651 -5.092 3.821 1.00 0.21 C ATOM 817 CG1 ILE A 53 -7.654 -6.015 4.537 1.00 0.37 C ATOM 818 CG2 ILE A 53 -5.267 -5.231 4.464 1.00 0.24 C ATOM 819 CD1 ILE A 53 -7.326 -7.483 4.240 1.00 1.43 C ATOM 0 H ILE A 53 -8.422 -3.884 2.293 1.00 0.22 H new ATOM 0 HA ILE A 53 -7.304 -3.437 5.033 1.00 0.20 H new ATOM 0 HB ILE A 53 -6.587 -5.363 2.767 1.00 0.21 H new ATOM 0 HG12 ILE A 53 -7.620 -5.837 5.612 1.00 0.37 H new ATOM 0 HG13 ILE A 53 -8.668 -5.787 4.208 1.00 0.37 H new ATOM 0 HG21 ILE A 53 -4.918 -6.258 4.357 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -4.567 -4.556 3.971 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -5.330 -4.978 5.522 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -8.042 -8.126 4.752 1.00 1.43 H new ATOM 0 HD12 ILE A 53 -7.383 -7.658 3.166 1.00 1.43 H new ATOM 0 HD13 ILE A 53 -6.319 -7.709 4.591 1.00 1.43 H new ATOM 831 N PHE A 54 -5.238 -2.220 4.370 1.00 0.20 N ATOM 832 CA PHE A 54 -4.169 -1.254 3.984 1.00 0.20 C ATOM 833 C PHE A 54 -2.813 -1.696 4.544 1.00 0.20 C ATOM 834 O PHE A 54 -2.711 -2.089 5.689 1.00 0.21 O ATOM 835 CB PHE A 54 -4.533 0.110 4.559 1.00 0.22 C ATOM 836 CG PHE A 54 -5.834 0.594 3.915 1.00 0.19 C ATOM 837 CD1 PHE A 54 -5.812 1.275 2.709 1.00 0.21 C ATOM 838 CD2 PHE A 54 -7.050 0.357 4.530 1.00 0.16 C ATOM 839 CE1 PHE A 54 -6.989 1.708 2.131 1.00 0.19 C ATOM 840 CE2 PHE A 54 -8.223 0.792 3.950 1.00 0.13 C ATOM 841 CZ PHE A 54 -8.192 1.466 2.752 1.00 0.15 C ATOM 0 H PHE A 54 -5.264 -2.466 5.360 1.00 0.20 H new ATOM 0 HA PHE A 54 -4.093 -1.209 2.898 1.00 0.20 H new ATOM 0 HB2 PHE A 54 -4.651 0.043 5.640 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -3.731 0.824 4.370 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -4.870 1.468 2.218 1.00 0.21 H new ATOM 0 HD2 PHE A 54 -7.081 -0.172 5.471 1.00 0.16 H new ATOM 0 HE1 PHE A 54 -6.965 2.237 1.190 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -9.168 0.603 4.438 1.00 0.13 H new ATOM 0 HZ PHE A 54 -9.112 1.805 2.299 1.00 0.15 H new ATOM 851 N LEU A 55 -1.803 -1.618 3.714 1.00 0.19 N ATOM 852 CA LEU A 55 -0.434 -2.011 4.165 1.00 0.19 C ATOM 853 C LEU A 55 0.554 -0.873 3.869 1.00 0.12 C ATOM 854 O LEU A 55 0.311 -0.044 3.013 1.00 0.16 O ATOM 855 CB LEU A 55 0.018 -3.274 3.418 1.00 0.20 C ATOM 856 CG LEU A 55 -1.193 -4.193 3.156 1.00 0.22 C ATOM 857 CD1 LEU A 55 -2.016 -3.670 1.973 1.00 0.45 C ATOM 858 CD2 LEU A 55 -0.689 -5.593 2.810 1.00 0.29 C ATOM 0 H LEU A 55 -1.867 -1.300 2.747 1.00 0.19 H new ATOM 0 HA LEU A 55 -0.457 -2.209 5.237 1.00 0.19 H new ATOM 0 HB2 LEU A 55 0.488 -2.999 2.474 1.00 0.20 H new ATOM 0 HB3 LEU A 55 0.768 -3.805 4.005 1.00 0.20 H new ATOM 0 HG LEU A 55 -1.817 -4.215 4.050 1.00 0.22 H new ATOM 0 HD11 LEU A 55 -2.867 -4.330 1.801 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -2.375 -2.665 2.196 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -1.392 -3.643 1.080 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -1.539 -6.250 2.623 1.00 0.29 H new ATOM 0 HD22 LEU A 55 -0.065 -5.545 1.918 1.00 0.29 H new ATOM 0 HD23 LEU A 55 -0.104 -5.985 3.642 1.00 0.29 H new ATOM 870 N GLU A 56 1.643 -0.865 4.586 1.00 0.19 N ATOM 871 CA GLU A 56 2.671 0.202 4.375 1.00 0.16 C ATOM 872 C GLU A 56 4.064 -0.433 4.344 1.00 0.15 C ATOM 873 O GLU A 56 4.499 -1.010 5.320 1.00 0.13 O ATOM 874 CB GLU A 56 2.600 1.203 5.524 1.00 0.27 C ATOM 875 CG GLU A 56 3.654 2.293 5.311 1.00 0.52 C ATOM 876 CD GLU A 56 4.729 2.180 6.397 1.00 1.42 C ATOM 877 OE1 GLU A 56 4.452 2.658 7.484 1.00 1.38 O ATOM 878 OE2 GLU A 56 5.765 1.623 6.076 1.00 2.71 O ATOM 0 H GLU A 56 1.869 -1.548 5.309 1.00 0.19 H new ATOM 0 HA GLU A 56 2.480 0.712 3.430 1.00 0.16 H new ATOM 0 HB2 GLU A 56 1.606 1.647 5.574 1.00 0.27 H new ATOM 0 HB3 GLU A 56 2.771 0.696 6.474 1.00 0.27 H new ATOM 0 HG2 GLU A 56 4.106 2.190 4.324 1.00 0.52 H new ATOM 0 HG3 GLU A 56 3.187 3.277 5.347 1.00 0.52 H new ATOM 885 N VAL A 57 4.734 -0.311 3.226 1.00 0.19 N ATOM 886 CA VAL A 57 6.098 -0.921 3.120 1.00 0.20 C ATOM 887 C VAL A 57 7.183 0.151 3.226 1.00 0.19 C ATOM 888 O VAL A 57 7.049 1.235 2.686 1.00 0.18 O ATOM 889 CB VAL A 57 6.223 -1.632 1.775 1.00 0.19 C ATOM 890 CG1 VAL A 57 7.558 -2.371 1.721 1.00 0.28 C ATOM 891 CG2 VAL A 57 5.086 -2.638 1.626 1.00 0.25 C ATOM 0 H VAL A 57 4.404 0.176 2.393 1.00 0.19 H new ATOM 0 HA VAL A 57 6.229 -1.630 3.937 1.00 0.20 H new ATOM 0 HB VAL A 57 6.172 -0.901 0.968 1.00 0.19 H new ATOM 0 HG11 VAL A 57 7.653 -2.881 0.762 1.00 0.28 H new ATOM 0 HG12 VAL A 57 8.374 -1.657 1.835 1.00 0.28 H new ATOM 0 HG13 VAL A 57 7.601 -3.103 2.527 1.00 0.28 H new ATOM 0 HG21 VAL A 57 5.174 -3.147 0.666 1.00 0.25 H new ATOM 0 HG22 VAL A 57 5.141 -3.371 2.431 1.00 0.25 H new ATOM 0 HG23 VAL A 57 4.130 -2.116 1.674 1.00 0.25 H new ATOM 901 N ASP A 58 8.238 -0.180 3.922 1.00 0.21 N ATOM 902 CA ASP A 58 9.359 0.790 4.070 1.00 0.21 C ATOM 903 C ASP A 58 10.466 0.448 3.070 1.00 0.20 C ATOM 904 O ASP A 58 11.106 -0.579 3.177 1.00 0.22 O ATOM 905 CB ASP A 58 9.911 0.705 5.491 1.00 0.25 C ATOM 906 CG ASP A 58 10.868 1.875 5.732 1.00 0.26 C ATOM 907 OD1 ASP A 58 10.966 2.689 4.828 1.00 1.12 O ATOM 908 OD2 ASP A 58 11.447 1.887 6.805 1.00 0.93 O ATOM 0 H ASP A 58 8.371 -1.076 4.392 1.00 0.21 H new ATOM 0 HA ASP A 58 8.998 1.800 3.877 1.00 0.21 H new ATOM 0 HB2 ASP A 58 9.095 0.733 6.213 1.00 0.25 H new ATOM 0 HB3 ASP A 58 10.432 -0.242 5.635 1.00 0.25 H new ATOM 913 N VAL A 59 10.667 1.315 2.121 1.00 0.18 N ATOM 914 CA VAL A 59 11.720 1.049 1.098 1.00 0.19 C ATOM 915 C VAL A 59 13.119 1.173 1.710 1.00 0.21 C ATOM 916 O VAL A 59 14.100 1.256 0.998 1.00 0.20 O ATOM 917 CB VAL A 59 11.572 2.061 -0.031 1.00 0.19 C ATOM 918 CG1 VAL A 59 10.228 1.842 -0.732 1.00 0.19 C ATOM 919 CG2 VAL A 59 11.615 3.474 0.557 1.00 0.18 C ATOM 0 H VAL A 59 10.155 2.190 2.007 1.00 0.18 H new ATOM 0 HA VAL A 59 11.599 0.034 0.720 1.00 0.19 H new ATOM 0 HB VAL A 59 12.382 1.937 -0.750 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.118 2.564 -1.541 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.191 0.832 -1.140 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.418 1.974 -0.015 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.510 4.205 -0.245 1.00 0.18 H new ATOM 0 HG22 VAL A 59 10.799 3.597 1.269 1.00 0.18 H new ATOM 0 HG23 VAL A 59 12.567 3.628 1.065 1.00 0.18 H new ATOM 929 N ASP A 60 13.181 1.183 3.015 1.00 0.34 N ATOM 930 CA ASP A 60 14.509 1.301 3.691 1.00 0.37 C ATOM 931 C ASP A 60 14.948 -0.062 4.238 1.00 0.38 C ATOM 932 O ASP A 60 16.092 -0.449 4.097 1.00 0.44 O ATOM 933 CB ASP A 60 14.395 2.297 4.841 1.00 0.35 C ATOM 934 CG ASP A 60 15.777 2.882 5.143 1.00 0.71 C ATOM 935 OD1 ASP A 60 16.701 2.088 5.195 1.00 0.90 O ATOM 936 OD2 ASP A 60 15.829 4.090 5.304 1.00 1.45 O ATOM 0 H ASP A 60 12.377 1.115 3.639 1.00 0.34 H new ATOM 0 HA ASP A 60 15.250 1.646 2.970 1.00 0.37 H new ATOM 0 HB2 ASP A 60 13.699 3.094 4.579 1.00 0.35 H new ATOM 0 HB3 ASP A 60 13.995 1.803 5.727 1.00 0.35 H new ATOM 941 N ASP A 61 14.023 -0.758 4.848 1.00 0.36 N ATOM 942 CA ASP A 61 14.356 -2.099 5.422 1.00 0.39 C ATOM 943 C ASP A 61 13.692 -3.211 4.601 1.00 0.38 C ATOM 944 O ASP A 61 14.133 -4.343 4.618 1.00 0.58 O ATOM 945 CB ASP A 61 13.847 -2.162 6.860 1.00 0.37 C ATOM 946 CG ASP A 61 14.453 -3.379 7.561 1.00 0.74 C ATOM 947 OD1 ASP A 61 13.836 -4.426 7.455 1.00 0.52 O ATOM 948 OD2 ASP A 61 15.497 -3.193 8.163 1.00 1.69 O ATOM 0 H ASP A 61 13.056 -0.459 4.974 1.00 0.36 H new ATOM 0 HA ASP A 61 15.436 -2.241 5.397 1.00 0.39 H new ATOM 0 HB2 ASP A 61 14.116 -1.250 7.393 1.00 0.37 H new ATOM 0 HB3 ASP A 61 12.759 -2.227 6.870 1.00 0.37 H new ATOM 953 N CYS A 62 12.647 -2.857 3.895 1.00 0.26 N ATOM 954 CA CYS A 62 11.931 -3.880 3.070 1.00 0.28 C ATOM 955 C CYS A 62 12.232 -3.671 1.583 1.00 0.28 C ATOM 956 O CYS A 62 11.348 -3.736 0.752 1.00 0.41 O ATOM 957 CB CYS A 62 10.428 -3.746 3.307 1.00 0.29 C ATOM 958 SG CYS A 62 9.882 -3.365 4.990 1.00 0.23 S ATOM 0 H CYS A 62 12.261 -1.914 3.853 1.00 0.26 H new ATOM 0 HA CYS A 62 12.270 -4.875 3.360 1.00 0.28 H new ATOM 0 HB2 CYS A 62 10.051 -2.966 2.646 1.00 0.29 H new ATOM 0 HB3 CYS A 62 9.954 -4.679 3.002 1.00 0.29 H new ATOM 0 HG CYS A 62 8.585 -3.284 5.018 1.00 0.23 H new ATOM 964 N GLN A 63 13.474 -3.421 1.279 1.00 0.19 N ATOM 965 CA GLN A 63 13.847 -3.208 -0.143 1.00 0.20 C ATOM 966 C GLN A 63 13.587 -4.481 -0.954 1.00 0.20 C ATOM 967 O GLN A 63 13.611 -4.462 -2.170 1.00 0.18 O ATOM 968 CB GLN A 63 15.329 -2.847 -0.223 1.00 0.22 C ATOM 969 CG GLN A 63 15.487 -1.332 -0.083 1.00 1.27 C ATOM 970 CD GLN A 63 16.944 -1.008 0.254 1.00 1.22 C ATOM 971 OE1 GLN A 63 17.229 -0.137 1.053 1.00 2.23 O ATOM 972 NE2 GLN A 63 17.894 -1.681 -0.333 1.00 1.00 N ATOM 0 H GLN A 63 14.241 -3.356 1.949 1.00 0.19 H new ATOM 0 HA GLN A 63 13.244 -2.398 -0.555 1.00 0.20 H new ATOM 0 HB2 GLN A 63 15.883 -3.357 0.566 1.00 0.22 H new ATOM 0 HB3 GLN A 63 15.746 -3.182 -1.173 1.00 0.22 H new ATOM 0 HG2 GLN A 63 15.197 -0.837 -1.010 1.00 1.27 H new ATOM 0 HG3 GLN A 63 14.828 -0.956 0.700 1.00 1.27 H new ATOM 0 HE21 GLN A 63 17.661 -2.413 -1.004 1.00 1.00 H new ATOM 0 HE22 GLN A 63 18.870 -1.476 -0.121 1.00 1.00 H new ATOM 981 N ASP A 64 13.344 -5.562 -0.264 1.00 0.24 N ATOM 982 CA ASP A 64 13.089 -6.842 -0.976 1.00 0.26 C ATOM 983 C ASP A 64 11.704 -6.826 -1.616 1.00 0.27 C ATOM 984 O ASP A 64 11.522 -7.279 -2.729 1.00 0.30 O ATOM 985 CB ASP A 64 13.187 -8.002 0.016 1.00 0.24 C ATOM 986 CG ASP A 64 12.655 -7.557 1.381 1.00 0.19 C ATOM 987 OD1 ASP A 64 11.874 -6.621 1.381 1.00 1.10 O ATOM 988 OD2 ASP A 64 13.061 -8.181 2.348 1.00 0.85 O ATOM 0 H ASP A 64 13.312 -5.613 0.754 1.00 0.24 H new ATOM 0 HA ASP A 64 13.834 -6.967 -1.761 1.00 0.26 H new ATOM 0 HB2 ASP A 64 12.614 -8.855 -0.348 1.00 0.24 H new ATOM 0 HB3 ASP A 64 14.223 -8.329 0.107 1.00 0.24 H new ATOM 993 N VAL A 65 10.761 -6.306 -0.899 1.00 0.28 N ATOM 994 CA VAL A 65 9.381 -6.243 -1.437 1.00 0.29 C ATOM 995 C VAL A 65 9.285 -5.148 -2.491 1.00 0.28 C ATOM 996 O VAL A 65 8.527 -5.246 -3.434 1.00 0.42 O ATOM 997 CB VAL A 65 8.420 -5.950 -0.304 1.00 0.29 C ATOM 998 CG1 VAL A 65 6.985 -6.174 -0.783 1.00 0.33 C ATOM 999 CG2 VAL A 65 8.719 -6.892 0.863 1.00 0.30 C ATOM 0 H VAL A 65 10.883 -5.921 0.038 1.00 0.28 H new ATOM 0 HA VAL A 65 9.125 -7.198 -1.897 1.00 0.29 H new ATOM 0 HB VAL A 65 8.537 -4.916 0.019 1.00 0.29 H new ATOM 0 HG11 VAL A 65 6.292 -5.963 0.032 1.00 0.33 H new ATOM 0 HG12 VAL A 65 6.773 -5.509 -1.620 1.00 0.33 H new ATOM 0 HG13 VAL A 65 6.865 -7.209 -1.102 1.00 0.33 H new ATOM 0 HG21 VAL A 65 8.030 -6.686 1.682 1.00 0.30 H new ATOM 0 HG22 VAL A 65 8.597 -7.925 0.537 1.00 0.30 H new ATOM 0 HG23 VAL A 65 9.743 -6.737 1.202 1.00 0.30 H new ATOM 1009 N ALA A 66 10.054 -4.123 -2.303 1.00 0.19 N ATOM 1010 CA ALA A 66 10.045 -3.014 -3.284 1.00 0.19 C ATOM 1011 C ALA A 66 10.784 -3.449 -4.545 1.00 0.13 C ATOM 1012 O ALA A 66 10.422 -3.086 -5.646 1.00 0.28 O ATOM 1013 CB ALA A 66 10.739 -1.797 -2.676 1.00 0.23 C ATOM 0 H ALA A 66 10.689 -4.004 -1.513 1.00 0.19 H new ATOM 0 HA ALA A 66 9.017 -2.756 -3.538 1.00 0.19 H new ATOM 0 HB1 ALA A 66 10.734 -0.978 -3.396 1.00 0.23 H new ATOM 0 HB2 ALA A 66 10.211 -1.490 -1.773 1.00 0.23 H new ATOM 0 HB3 ALA A 66 11.768 -2.053 -2.424 1.00 0.23 H new ATOM 1019 N SER A 67 11.807 -4.225 -4.348 1.00 0.16 N ATOM 1020 CA SER A 67 12.593 -4.714 -5.507 1.00 0.14 C ATOM 1021 C SER A 67 11.777 -5.740 -6.292 1.00 0.12 C ATOM 1022 O SER A 67 12.067 -6.030 -7.436 1.00 0.09 O ATOM 1023 CB SER A 67 13.882 -5.362 -5.002 1.00 0.23 C ATOM 1024 OG SER A 67 14.633 -4.276 -4.475 1.00 1.33 O ATOM 0 H SER A 67 12.133 -4.542 -3.435 1.00 0.16 H new ATOM 0 HA SER A 67 12.834 -3.876 -6.161 1.00 0.14 H new ATOM 0 HB2 SER A 67 13.678 -6.113 -4.239 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.418 -5.864 -5.808 1.00 0.23 H new ATOM 0 HG SER A 67 14.664 -4.343 -3.498 1.00 1.33 H new ATOM 1030 N GLU A 68 10.770 -6.267 -5.657 1.00 0.18 N ATOM 1031 CA GLU A 68 9.916 -7.267 -6.340 1.00 0.21 C ATOM 1032 C GLU A 68 9.027 -6.558 -7.352 1.00 0.26 C ATOM 1033 O GLU A 68 8.780 -7.055 -8.433 1.00 0.36 O ATOM 1034 CB GLU A 68 9.057 -7.989 -5.296 1.00 0.28 C ATOM 1035 CG GLU A 68 7.897 -8.705 -5.991 1.00 1.02 C ATOM 1036 CD GLU A 68 8.415 -9.429 -7.236 1.00 1.64 C ATOM 1037 OE1 GLU A 68 9.385 -10.151 -7.076 1.00 2.08 O ATOM 1038 OE2 GLU A 68 7.810 -9.221 -8.274 1.00 2.56 O ATOM 0 H GLU A 68 10.504 -6.048 -4.697 1.00 0.18 H new ATOM 0 HA GLU A 68 10.536 -7.997 -6.861 1.00 0.21 H new ATOM 0 HB2 GLU A 68 9.664 -8.708 -4.746 1.00 0.28 H new ATOM 0 HB3 GLU A 68 8.673 -7.274 -4.569 1.00 0.28 H new ATOM 0 HG2 GLU A 68 7.435 -9.418 -5.309 1.00 1.02 H new ATOM 0 HG3 GLU A 68 7.127 -7.986 -6.270 1.00 1.02 H new ATOM 1045 N CYS A 69 8.570 -5.407 -6.970 1.00 0.23 N ATOM 1046 CA CYS A 69 7.705 -4.612 -7.886 1.00 0.29 C ATOM 1047 C CYS A 69 8.586 -3.721 -8.760 1.00 0.25 C ATOM 1048 O CYS A 69 8.105 -2.999 -9.610 1.00 0.34 O ATOM 1049 CB CYS A 69 6.760 -3.749 -7.055 1.00 0.32 C ATOM 1050 SG CYS A 69 5.502 -4.609 -6.079 1.00 0.34 S ATOM 0 H CYS A 69 8.755 -4.977 -6.064 1.00 0.23 H new ATOM 0 HA CYS A 69 7.122 -5.278 -8.522 1.00 0.29 H new ATOM 0 HB2 CYS A 69 7.362 -3.146 -6.375 1.00 0.32 H new ATOM 0 HB3 CYS A 69 6.252 -3.059 -7.728 1.00 0.32 H new ATOM 0 HG CYS A 69 4.337 -4.080 -6.309 1.00 0.34 H new ATOM 1056 N GLU A 70 9.868 -3.796 -8.517 1.00 0.20 N ATOM 1057 CA GLU A 70 10.831 -2.980 -9.312 1.00 0.33 C ATOM 1058 C GLU A 70 10.485 -1.491 -9.231 1.00 0.32 C ATOM 1059 O GLU A 70 10.417 -0.816 -10.238 1.00 0.39 O ATOM 1060 CB GLU A 70 10.794 -3.434 -10.772 1.00 0.48 C ATOM 1061 CG GLU A 70 11.092 -4.932 -10.839 1.00 1.16 C ATOM 1062 CD GLU A 70 9.931 -5.649 -11.532 1.00 2.05 C ATOM 1063 OE1 GLU A 70 9.916 -5.602 -12.750 1.00 1.69 O ATOM 1064 OE2 GLU A 70 9.125 -6.202 -10.802 1.00 3.55 O ATOM 0 H GLU A 70 10.290 -4.388 -7.801 1.00 0.20 H new ATOM 0 HA GLU A 70 11.830 -3.124 -8.901 1.00 0.33 H new ATOM 0 HB2 GLU A 70 9.816 -3.226 -11.206 1.00 0.48 H new ATOM 0 HB3 GLU A 70 11.527 -2.878 -11.357 1.00 0.48 H new ATOM 0 HG2 GLU A 70 12.019 -5.106 -11.385 1.00 1.16 H new ATOM 0 HG3 GLU A 70 11.234 -5.331 -9.835 1.00 1.16 H new ATOM 1071 N VAL A 71 10.273 -1.005 -8.036 1.00 0.25 N ATOM 1072 CA VAL A 71 9.948 0.447 -7.901 1.00 0.25 C ATOM 1073 C VAL A 71 11.231 1.258 -7.718 1.00 0.52 C ATOM 1074 O VAL A 71 12.224 0.760 -7.227 1.00 0.76 O ATOM 1075 CB VAL A 71 9.042 0.672 -6.694 1.00 0.11 C ATOM 1076 CG1 VAL A 71 8.046 1.784 -7.021 1.00 0.23 C ATOM 1077 CG2 VAL A 71 8.275 -0.614 -6.380 1.00 0.37 C ATOM 0 H VAL A 71 10.309 -1.536 -7.166 1.00 0.25 H new ATOM 0 HA VAL A 71 9.437 0.772 -8.807 1.00 0.25 H new ATOM 0 HB VAL A 71 9.646 0.953 -5.831 1.00 0.11 H new ATOM 0 HG11 VAL A 71 7.394 1.952 -6.164 1.00 0.23 H new ATOM 0 HG12 VAL A 71 8.588 2.702 -7.250 1.00 0.23 H new ATOM 0 HG13 VAL A 71 7.445 1.492 -7.882 1.00 0.23 H new ATOM 0 HG21 VAL A 71 7.629 -0.451 -5.518 1.00 0.37 H new ATOM 0 HG22 VAL A 71 7.668 -0.895 -7.241 1.00 0.37 H new ATOM 0 HG23 VAL A 71 8.981 -1.414 -6.158 1.00 0.37 H new ATOM 1087 N LYS A 72 11.177 2.493 -8.120 1.00 0.53 N ATOM 1088 CA LYS A 72 12.373 3.370 -7.977 1.00 0.81 C ATOM 1089 C LYS A 72 11.922 4.796 -7.669 1.00 0.60 C ATOM 1090 O LYS A 72 12.644 5.745 -7.902 1.00 0.70 O ATOM 1091 CB LYS A 72 13.171 3.355 -9.280 1.00 1.16 C ATOM 1092 CG LYS A 72 14.640 3.655 -8.971 1.00 1.77 C ATOM 1093 CD LYS A 72 15.434 3.680 -10.279 1.00 1.71 C ATOM 1094 CE LYS A 72 16.755 4.419 -10.051 1.00 2.56 C ATOM 1095 NZ LYS A 72 16.628 5.849 -10.453 1.00 3.19 N ATOM 0 H LYS A 72 10.360 2.935 -8.541 1.00 0.53 H new ATOM 0 HA LYS A 72 13.000 3.005 -7.164 1.00 0.81 H new ATOM 0 HB2 LYS A 72 13.080 2.383 -9.766 1.00 1.16 H new ATOM 0 HB3 LYS A 72 12.773 4.096 -9.973 1.00 1.16 H new ATOM 0 HG2 LYS A 72 14.728 4.614 -8.460 1.00 1.77 H new ATOM 0 HG3 LYS A 72 15.045 2.897 -8.300 1.00 1.77 H new ATOM 0 HD2 LYS A 72 15.627 2.663 -10.621 1.00 1.71 H new ATOM 0 HD3 LYS A 72 14.856 4.175 -11.060 1.00 1.71 H new ATOM 0 HE2 LYS A 72 17.039 4.354 -9.001 1.00 2.56 H new ATOM 0 HE3 LYS A 72 17.549 3.942 -10.626 1.00 2.56 H new ATOM 0 HZ1 LYS A 72 17.533 6.336 -10.292 1.00 3.19 H new ATOM 0 HZ2 LYS A 72 16.379 5.905 -11.461 1.00 3.19 H new ATOM 0 HZ3 LYS A 72 15.884 6.304 -9.886 1.00 3.19 H new ATOM 1109 N CYS A 73 10.730 4.913 -7.150 1.00 0.33 N ATOM 1110 CA CYS A 73 10.204 6.269 -6.823 1.00 0.17 C ATOM 1111 C CYS A 73 9.117 6.170 -5.752 1.00 0.21 C ATOM 1112 O CYS A 73 8.194 5.388 -5.874 1.00 0.32 O ATOM 1113 CB CYS A 73 9.617 6.894 -8.088 1.00 0.33 C ATOM 1114 SG CYS A 73 8.501 5.870 -9.079 1.00 0.67 S ATOM 0 H CYS A 73 10.103 4.137 -6.940 1.00 0.33 H new ATOM 0 HA CYS A 73 11.017 6.888 -6.443 1.00 0.17 H new ATOM 0 HB2 CYS A 73 9.079 7.797 -7.800 1.00 0.33 H new ATOM 0 HB3 CYS A 73 10.444 7.205 -8.726 1.00 0.33 H new ATOM 0 HG CYS A 73 8.092 6.547 -10.111 1.00 0.67 H new ATOM 1120 N THR A 74 9.256 6.971 -4.727 1.00 0.18 N ATOM 1121 CA THR A 74 8.247 6.956 -3.624 1.00 0.20 C ATOM 1122 C THR A 74 7.587 8.349 -3.514 1.00 0.21 C ATOM 1123 O THR A 74 8.192 9.341 -3.868 1.00 0.21 O ATOM 1124 CB THR A 74 8.977 6.632 -2.314 1.00 0.19 C ATOM 1125 OG1 THR A 74 10.118 7.484 -2.319 1.00 0.28 O ATOM 1126 CG2 THR A 74 9.537 5.214 -2.323 1.00 0.21 C ATOM 0 H THR A 74 10.022 7.633 -4.606 1.00 0.18 H new ATOM 0 HA THR A 74 7.477 6.211 -3.823 1.00 0.20 H new ATOM 0 HB THR A 74 8.299 6.750 -1.469 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.641 7.336 -1.503 1.00 0.28 H new ATOM 0 HG21 THR A 74 10.048 5.018 -1.380 1.00 0.21 H new ATOM 0 HG22 THR A 74 8.722 4.502 -2.449 1.00 0.21 H new ATOM 0 HG23 THR A 74 10.243 5.107 -3.147 1.00 0.21 H new ATOM 1134 N PRO A 75 6.352 8.408 -3.022 1.00 0.22 N ATOM 1135 CA PRO A 75 5.555 7.233 -2.594 1.00 0.22 C ATOM 1136 C PRO A 75 4.948 6.507 -3.810 1.00 0.23 C ATOM 1137 O PRO A 75 4.620 7.134 -4.804 1.00 0.28 O ATOM 1138 CB PRO A 75 4.426 7.824 -1.743 1.00 0.23 C ATOM 1139 CG PRO A 75 4.440 9.367 -1.969 1.00 0.23 C ATOM 1140 CD PRO A 75 5.689 9.697 -2.807 1.00 0.24 C ATOM 0 HA PRO A 75 6.165 6.506 -2.057 1.00 0.22 H new ATOM 0 HB2 PRO A 75 3.464 7.401 -2.032 1.00 0.23 H new ATOM 0 HB3 PRO A 75 4.574 7.588 -0.689 1.00 0.23 H new ATOM 0 HG2 PRO A 75 3.535 9.688 -2.485 1.00 0.23 H new ATOM 0 HG3 PRO A 75 4.467 9.895 -1.016 1.00 0.23 H new ATOM 0 HD2 PRO A 75 5.417 10.164 -3.754 1.00 0.24 H new ATOM 0 HD3 PRO A 75 6.343 10.395 -2.284 1.00 0.24 H new ATOM 1148 N THR A 76 4.810 5.203 -3.701 1.00 0.18 N ATOM 1149 CA THR A 76 4.212 4.421 -4.829 1.00 0.18 C ATOM 1150 C THR A 76 3.041 3.585 -4.307 1.00 0.19 C ATOM 1151 O THR A 76 3.169 2.890 -3.317 1.00 0.31 O ATOM 1152 CB THR A 76 5.272 3.501 -5.440 1.00 0.17 C ATOM 1153 OG1 THR A 76 5.954 4.316 -6.389 1.00 0.13 O ATOM 1154 CG2 THR A 76 4.630 2.381 -6.258 1.00 0.34 C ATOM 0 H THR A 76 5.084 4.653 -2.887 1.00 0.18 H new ATOM 0 HA THR A 76 3.852 5.109 -5.594 1.00 0.18 H new ATOM 0 HB THR A 76 5.893 3.070 -4.654 1.00 0.17 H new ATOM 0 HG1 THR A 76 6.885 4.438 -6.107 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.409 1.745 -6.679 1.00 0.34 H new ATOM 0 HG22 THR A 76 3.983 1.785 -5.614 1.00 0.34 H new ATOM 0 HG23 THR A 76 4.039 2.813 -7.066 1.00 0.34 H new ATOM 1162 N PHE A 77 1.928 3.667 -4.987 1.00 0.08 N ATOM 1163 CA PHE A 77 0.728 2.896 -4.537 1.00 0.06 C ATOM 1164 C PHE A 77 0.493 1.680 -5.431 1.00 0.08 C ATOM 1165 O PHE A 77 0.552 1.777 -6.642 1.00 0.09 O ATOM 1166 CB PHE A 77 -0.492 3.803 -4.612 1.00 0.04 C ATOM 1167 CG PHE A 77 -0.455 4.782 -3.445 1.00 0.01 C ATOM 1168 CD1 PHE A 77 -0.635 4.328 -2.156 1.00 0.03 C ATOM 1169 CD2 PHE A 77 -0.241 6.132 -3.663 1.00 0.03 C ATOM 1170 CE1 PHE A 77 -0.606 5.211 -1.096 1.00 0.03 C ATOM 1171 CE2 PHE A 77 -0.211 7.012 -2.603 1.00 0.06 C ATOM 1172 CZ PHE A 77 -0.392 6.552 -1.321 1.00 0.05 C ATOM 0 H PHE A 77 1.796 4.229 -5.828 1.00 0.08 H new ATOM 0 HA PHE A 77 0.895 2.552 -3.516 1.00 0.06 H new ATOM 0 HB2 PHE A 77 -0.501 4.345 -5.558 1.00 0.04 H new ATOM 0 HB3 PHE A 77 -1.405 3.209 -4.576 1.00 0.04 H new ATOM 0 HD1 PHE A 77 -0.800 3.276 -1.975 1.00 0.03 H new ATOM 0 HD2 PHE A 77 -0.097 6.498 -4.669 1.00 0.03 H new ATOM 0 HE1 PHE A 77 -0.751 4.850 -0.089 1.00 0.03 H new ATOM 0 HE2 PHE A 77 -0.045 8.064 -2.780 1.00 0.06 H new ATOM 0 HZ PHE A 77 -0.366 7.242 -0.491 1.00 0.05 H new ATOM 1182 N GLN A 78 0.231 0.558 -4.808 1.00 0.07 N ATOM 1183 CA GLN A 78 -0.038 -0.686 -5.602 1.00 0.08 C ATOM 1184 C GLN A 78 -1.363 -1.314 -5.168 1.00 0.09 C ATOM 1185 O GLN A 78 -1.778 -1.178 -4.034 1.00 0.09 O ATOM 1186 CB GLN A 78 1.093 -1.680 -5.385 1.00 0.07 C ATOM 1187 CG GLN A 78 2.398 -1.076 -5.911 1.00 0.66 C ATOM 1188 CD GLN A 78 3.519 -2.108 -5.790 1.00 0.97 C ATOM 1189 OE1 GLN A 78 3.306 -3.222 -5.361 1.00 1.77 O ATOM 1190 NE2 GLN A 78 4.728 -1.776 -6.156 1.00 0.76 N ATOM 0 H GLN A 78 0.191 0.447 -3.795 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.100 -0.426 -6.659 1.00 0.08 H new ATOM 0 HB2 GLN A 78 1.188 -1.916 -4.325 1.00 0.07 H new ATOM 0 HB3 GLN A 78 0.876 -2.615 -5.902 1.00 0.07 H new ATOM 0 HG2 GLN A 78 2.278 -0.773 -6.951 1.00 0.66 H new ATOM 0 HG3 GLN A 78 2.651 -0.180 -5.345 1.00 0.66 H new ATOM 0 HE21 GLN A 78 4.913 -0.840 -6.518 1.00 0.76 H new ATOM 0 HE22 GLN A 78 5.488 -2.452 -6.080 1.00 0.76 H new ATOM 1199 N PHE A 79 -1.994 -1.992 -6.092 1.00 0.09 N ATOM 1200 CA PHE A 79 -3.305 -2.640 -5.786 1.00 0.10 C ATOM 1201 C PHE A 79 -3.176 -4.164 -5.891 1.00 0.14 C ATOM 1202 O PHE A 79 -2.789 -4.679 -6.924 1.00 0.16 O ATOM 1203 CB PHE A 79 -4.338 -2.154 -6.809 1.00 0.10 C ATOM 1204 CG PHE A 79 -4.773 -0.722 -6.472 1.00 0.10 C ATOM 1205 CD1 PHE A 79 -3.858 0.322 -6.501 1.00 0.11 C ATOM 1206 CD2 PHE A 79 -6.090 -0.449 -6.135 1.00 0.12 C ATOM 1207 CE1 PHE A 79 -4.256 1.608 -6.197 1.00 0.14 C ATOM 1208 CE2 PHE A 79 -6.481 0.839 -5.833 1.00 0.15 C ATOM 1209 CZ PHE A 79 -5.566 1.866 -5.863 1.00 0.15 C ATOM 0 H PHE A 79 -1.658 -2.125 -7.046 1.00 0.09 H new ATOM 0 HA PHE A 79 -3.614 -2.378 -4.774 1.00 0.10 H new ATOM 0 HB2 PHE A 79 -3.913 -2.188 -7.812 1.00 0.10 H new ATOM 0 HB3 PHE A 79 -5.204 -2.816 -6.807 1.00 0.10 H new ATOM 0 HD1 PHE A 79 -2.829 0.126 -6.763 1.00 0.11 H new ATOM 0 HD2 PHE A 79 -6.814 -1.250 -6.109 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.538 2.414 -6.221 1.00 0.14 H new ATOM 0 HE2 PHE A 79 -7.509 1.042 -5.572 1.00 0.15 H new ATOM 0 HZ PHE A 79 -5.875 2.873 -5.625 1.00 0.15 H new ATOM 1219 N PHE A 80 -3.502 -4.855 -4.819 1.00 0.16 N ATOM 1220 CA PHE A 80 -3.411 -6.351 -4.848 1.00 0.21 C ATOM 1221 C PHE A 80 -4.775 -6.960 -4.500 1.00 0.24 C ATOM 1222 O PHE A 80 -5.480 -6.467 -3.636 1.00 0.28 O ATOM 1223 CB PHE A 80 -2.366 -6.817 -3.831 1.00 0.22 C ATOM 1224 CG PHE A 80 -0.970 -6.429 -4.318 1.00 0.21 C ATOM 1225 CD1 PHE A 80 -0.354 -7.142 -5.331 1.00 0.20 C ATOM 1226 CD2 PHE A 80 -0.305 -5.359 -3.748 1.00 0.23 C ATOM 1227 CE1 PHE A 80 0.908 -6.788 -5.765 1.00 0.20 C ATOM 1228 CE2 PHE A 80 0.956 -5.009 -4.184 1.00 0.23 C ATOM 1229 CZ PHE A 80 1.561 -5.722 -5.191 1.00 0.22 C ATOM 0 H PHE A 80 -3.823 -4.453 -3.938 1.00 0.16 H new ATOM 0 HA PHE A 80 -3.118 -6.676 -5.846 1.00 0.21 H new ATOM 0 HB2 PHE A 80 -2.562 -6.364 -2.859 1.00 0.22 H new ATOM 0 HB3 PHE A 80 -2.429 -7.897 -3.698 1.00 0.22 H new ATOM 0 HD1 PHE A 80 -0.863 -7.980 -5.785 1.00 0.20 H new ATOM 0 HD2 PHE A 80 -0.776 -4.794 -2.957 1.00 0.23 H new ATOM 0 HE1 PHE A 80 1.383 -7.349 -6.556 1.00 0.20 H new ATOM 0 HE2 PHE A 80 1.469 -4.173 -3.733 1.00 0.23 H new ATOM 0 HZ PHE A 80 2.548 -5.446 -5.531 1.00 0.22 H new ATOM 1239 N LYS A 81 -5.117 -8.017 -5.185 1.00 0.24 N ATOM 1240 CA LYS A 81 -6.430 -8.678 -4.921 1.00 0.27 C ATOM 1241 C LYS A 81 -6.292 -10.196 -5.080 1.00 0.11 C ATOM 1242 O LYS A 81 -5.659 -10.669 -6.002 1.00 0.15 O ATOM 1243 CB LYS A 81 -7.462 -8.153 -5.919 1.00 0.40 C ATOM 1244 CG LYS A 81 -8.806 -7.962 -5.208 1.00 0.99 C ATOM 1245 CD LYS A 81 -9.839 -7.439 -6.211 1.00 0.75 C ATOM 1246 CE LYS A 81 -11.181 -8.127 -5.956 1.00 0.54 C ATOM 1247 NZ LYS A 81 -12.271 -7.436 -6.699 1.00 1.20 N ATOM 0 H LYS A 81 -4.549 -8.451 -5.913 1.00 0.24 H new ATOM 0 HA LYS A 81 -6.751 -8.455 -3.903 1.00 0.27 H new ATOM 0 HB2 LYS A 81 -7.125 -7.207 -6.344 1.00 0.40 H new ATOM 0 HB3 LYS A 81 -7.572 -8.853 -6.747 1.00 0.40 H new ATOM 0 HG2 LYS A 81 -9.142 -8.907 -4.781 1.00 0.99 H new ATOM 0 HG3 LYS A 81 -8.697 -7.260 -4.381 1.00 0.99 H new ATOM 0 HD2 LYS A 81 -9.946 -6.359 -6.111 1.00 0.75 H new ATOM 0 HD3 LYS A 81 -9.505 -7.634 -7.230 1.00 0.75 H new ATOM 0 HE2 LYS A 81 -11.126 -9.170 -6.266 1.00 0.54 H new ATOM 0 HE3 LYS A 81 -11.401 -8.123 -4.889 1.00 0.54 H new ATOM 0 HZ1 LYS A 81 -13.175 -7.916 -6.515 1.00 1.20 H new ATOM 0 HZ2 LYS A 81 -12.333 -6.447 -6.383 1.00 1.20 H new ATOM 0 HZ3 LYS A 81 -12.067 -7.462 -7.718 1.00 1.20 H new ATOM 1261 N LYS A 82 -6.891 -10.927 -4.179 1.00 0.17 N ATOM 1262 CA LYS A 82 -6.797 -12.414 -4.263 1.00 0.28 C ATOM 1263 C LYS A 82 -5.330 -12.843 -4.363 1.00 0.28 C ATOM 1264 O LYS A 82 -5.031 -13.977 -4.682 1.00 0.42 O ATOM 1265 CB LYS A 82 -7.555 -12.899 -5.493 1.00 0.32 C ATOM 1266 CG LYS A 82 -9.018 -12.469 -5.379 1.00 1.43 C ATOM 1267 CD LYS A 82 -9.878 -13.390 -6.240 1.00 1.33 C ATOM 1268 CE LYS A 82 -10.423 -14.526 -5.373 1.00 0.47 C ATOM 1269 NZ LYS A 82 -9.365 -15.036 -4.455 1.00 1.50 N ATOM 0 H LYS A 82 -7.436 -10.565 -3.396 1.00 0.17 H new ATOM 0 HA LYS A 82 -7.234 -12.852 -3.366 1.00 0.28 H new ATOM 0 HB2 LYS A 82 -7.110 -12.484 -6.397 1.00 0.32 H new ATOM 0 HB3 LYS A 82 -7.487 -13.984 -5.574 1.00 0.32 H new ATOM 0 HG2 LYS A 82 -9.343 -12.514 -4.340 1.00 1.43 H new ATOM 0 HG3 LYS A 82 -9.132 -11.435 -5.704 1.00 1.43 H new ATOM 0 HD2 LYS A 82 -10.700 -12.829 -6.684 1.00 1.33 H new ATOM 0 HD3 LYS A 82 -9.288 -13.795 -7.062 1.00 1.33 H new ATOM 0 HE2 LYS A 82 -11.276 -14.172 -4.794 1.00 0.47 H new ATOM 0 HE3 LYS A 82 -10.783 -15.336 -6.008 1.00 0.47 H new ATOM 0 HZ1 LYS A 82 -9.736 -15.840 -3.910 1.00 1.50 H new ATOM 0 HZ2 LYS A 82 -8.542 -15.345 -5.011 1.00 1.50 H new ATOM 0 HZ3 LYS A 82 -9.077 -14.279 -3.803 1.00 1.50 H new ATOM 1283 N GLY A 83 -4.444 -11.924 -4.085 1.00 0.28 N ATOM 1284 CA GLY A 83 -2.993 -12.256 -4.158 1.00 0.33 C ATOM 1285 C GLY A 83 -2.453 -11.983 -5.565 1.00 0.32 C ATOM 1286 O GLY A 83 -1.481 -12.580 -5.984 1.00 0.48 O ATOM 0 H GLY A 83 -4.661 -10.965 -3.813 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -2.441 -11.664 -3.428 1.00 0.33 H new ATOM 0 HA3 GLY A 83 -2.840 -13.304 -3.900 1.00 0.33 H new ATOM 1290 N GLN A 84 -3.094 -11.079 -6.259 1.00 0.23 N ATOM 1291 CA GLN A 84 -2.642 -10.750 -7.647 1.00 0.22 C ATOM 1292 C GLN A 84 -2.702 -9.237 -7.881 1.00 0.23 C ATOM 1293 O GLN A 84 -3.619 -8.575 -7.438 1.00 0.34 O ATOM 1294 CB GLN A 84 -3.557 -11.455 -8.649 1.00 0.19 C ATOM 1295 CG GLN A 84 -3.084 -12.897 -8.844 1.00 1.00 C ATOM 1296 CD GLN A 84 -4.295 -13.798 -9.096 1.00 1.37 C ATOM 1297 OE1 GLN A 84 -4.991 -14.191 -8.181 1.00 2.58 O ATOM 1298 NE2 GLN A 84 -4.582 -14.146 -10.321 1.00 1.02 N ATOM 0 H GLN A 84 -3.906 -10.557 -5.929 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.613 -11.086 -7.778 1.00 0.22 H new ATOM 0 HB2 GLN A 84 -4.586 -11.444 -8.289 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -3.547 -10.926 -9.602 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -2.393 -12.954 -9.685 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -2.542 -13.236 -7.962 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -4.001 -13.819 -11.093 1.00 1.02 H new ATOM 0 HE22 GLN A 84 -5.387 -14.745 -10.506 1.00 1.02 H new ATOM 1307 N LYS A 85 -1.723 -8.725 -8.577 1.00 0.14 N ATOM 1308 CA LYS A 85 -1.707 -7.261 -8.852 1.00 0.14 C ATOM 1309 C LYS A 85 -2.739 -6.916 -9.929 1.00 0.14 C ATOM 1310 O LYS A 85 -2.856 -7.609 -10.919 1.00 0.14 O ATOM 1311 CB LYS A 85 -0.310 -6.867 -9.338 1.00 0.14 C ATOM 1312 CG LYS A 85 -0.158 -5.345 -9.278 1.00 0.18 C ATOM 1313 CD LYS A 85 1.307 -4.977 -9.535 1.00 0.07 C ATOM 1314 CE LYS A 85 1.716 -5.454 -10.934 1.00 0.26 C ATOM 1315 NZ LYS A 85 2.300 -6.823 -10.869 1.00 1.68 N ATOM 0 H LYS A 85 -0.940 -9.252 -8.964 1.00 0.14 H new ATOM 0 HA LYS A 85 -1.955 -6.716 -7.941 1.00 0.14 H new ATOM 0 HB2 LYS A 85 0.450 -7.344 -8.719 1.00 0.14 H new ATOM 0 HB3 LYS A 85 -0.156 -7.218 -10.358 1.00 0.14 H new ATOM 0 HG2 LYS A 85 -0.800 -4.873 -10.022 1.00 0.18 H new ATOM 0 HG3 LYS A 85 -0.474 -4.974 -8.303 1.00 0.18 H new ATOM 0 HD2 LYS A 85 1.442 -3.899 -9.453 1.00 0.07 H new ATOM 0 HD3 LYS A 85 1.946 -5.437 -8.781 1.00 0.07 H new ATOM 0 HE2 LYS A 85 0.848 -5.454 -11.593 1.00 0.26 H new ATOM 0 HE3 LYS A 85 2.442 -4.763 -11.363 1.00 0.26 H new ATOM 0 HZ1 LYS A 85 3.276 -6.801 -11.228 1.00 1.68 H new ATOM 0 HZ2 LYS A 85 2.301 -7.154 -9.883 1.00 1.68 H new ATOM 0 HZ3 LYS A 85 1.732 -7.471 -11.451 1.00 1.68 H new ATOM 1329 N VAL A 86 -3.467 -5.849 -9.705 1.00 0.14 N ATOM 1330 CA VAL A 86 -4.500 -5.435 -10.707 1.00 0.14 C ATOM 1331 C VAL A 86 -4.391 -3.934 -11.011 1.00 0.16 C ATOM 1332 O VAL A 86 -4.931 -3.459 -11.990 1.00 0.24 O ATOM 1333 CB VAL A 86 -5.889 -5.741 -10.148 1.00 0.12 C ATOM 1334 CG1 VAL A 86 -6.156 -7.244 -10.259 1.00 0.16 C ATOM 1335 CG2 VAL A 86 -5.943 -5.326 -8.678 1.00 0.12 C ATOM 0 H VAL A 86 -3.393 -5.252 -8.881 1.00 0.14 H new ATOM 0 HA VAL A 86 -4.336 -5.988 -11.632 1.00 0.14 H new ATOM 0 HB VAL A 86 -6.642 -5.191 -10.712 1.00 0.12 H new ATOM 0 HG11 VAL A 86 -7.146 -7.468 -9.861 1.00 0.16 H new ATOM 0 HG12 VAL A 86 -6.108 -7.546 -11.305 1.00 0.16 H new ATOM 0 HG13 VAL A 86 -5.404 -7.790 -9.689 1.00 0.16 H new ATOM 0 HG21 VAL A 86 -6.932 -5.542 -8.275 1.00 0.12 H new ATOM 0 HG22 VAL A 86 -5.192 -5.881 -8.115 1.00 0.12 H new ATOM 0 HG23 VAL A 86 -5.743 -4.258 -8.594 1.00 0.12 H new ATOM 1345 N GLY A 87 -3.696 -3.215 -10.167 1.00 0.15 N ATOM 1346 CA GLY A 87 -3.553 -1.748 -10.410 1.00 0.16 C ATOM 1347 C GLY A 87 -2.271 -1.214 -9.767 1.00 0.15 C ATOM 1348 O GLY A 87 -1.812 -1.730 -8.768 1.00 0.16 O ATOM 0 H GLY A 87 -3.229 -3.572 -9.334 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.537 -1.552 -11.482 1.00 0.16 H new ATOM 0 HA3 GLY A 87 -4.416 -1.221 -10.003 1.00 0.16 H new ATOM 1352 N GLU A 88 -1.715 -0.189 -10.358 1.00 0.15 N ATOM 1353 CA GLU A 88 -0.468 0.393 -9.782 1.00 0.15 C ATOM 1354 C GLU A 88 -0.204 1.786 -10.357 1.00 0.14 C ATOM 1355 O GLU A 88 -0.107 1.964 -11.555 1.00 0.12 O ATOM 1356 CB GLU A 88 0.712 -0.523 -10.106 1.00 0.15 C ATOM 1357 CG GLU A 88 2.016 0.181 -9.720 1.00 1.47 C ATOM 1358 CD GLU A 88 2.603 0.874 -10.952 1.00 1.84 C ATOM 1359 OE1 GLU A 88 2.960 0.146 -11.863 1.00 1.38 O ATOM 1360 OE2 GLU A 88 2.662 2.092 -10.911 1.00 3.23 O ATOM 0 H GLU A 88 -2.064 0.265 -11.202 1.00 0.15 H new ATOM 0 HA GLU A 88 -0.588 0.480 -8.702 1.00 0.15 H new ATOM 0 HB2 GLU A 88 0.618 -1.463 -9.563 1.00 0.15 H new ATOM 0 HB3 GLU A 88 0.717 -0.767 -11.168 1.00 0.15 H new ATOM 0 HG2 GLU A 88 1.829 0.911 -8.933 1.00 1.47 H new ATOM 0 HG3 GLU A 88 2.728 -0.542 -9.322 1.00 1.47 H new ATOM 1367 N PHE A 89 -0.092 2.741 -9.480 1.00 0.14 N ATOM 1368 CA PHE A 89 0.181 4.128 -9.923 1.00 0.13 C ATOM 1369 C PHE A 89 0.940 4.877 -8.822 1.00 0.10 C ATOM 1370 O PHE A 89 0.571 4.817 -7.664 1.00 0.06 O ATOM 1371 CB PHE A 89 -1.152 4.804 -10.213 1.00 0.13 C ATOM 1372 CG PHE A 89 -1.683 5.497 -8.955 1.00 0.10 C ATOM 1373 CD1 PHE A 89 -1.208 6.742 -8.580 1.00 0.08 C ATOM 1374 CD2 PHE A 89 -2.648 4.882 -8.175 1.00 0.09 C ATOM 1375 CE1 PHE A 89 -1.691 7.360 -7.446 1.00 0.07 C ATOM 1376 CE2 PHE A 89 -3.130 5.503 -7.041 1.00 0.07 C ATOM 1377 CZ PHE A 89 -2.650 6.741 -6.677 1.00 0.07 C ATOM 0 H PHE A 89 -0.179 2.617 -8.471 1.00 0.14 H new ATOM 0 HA PHE A 89 0.796 4.132 -10.823 1.00 0.13 H new ATOM 0 HB2 PHE A 89 -1.031 5.533 -11.014 1.00 0.13 H new ATOM 0 HB3 PHE A 89 -1.874 4.065 -10.561 1.00 0.13 H new ATOM 0 HD1 PHE A 89 -0.455 7.232 -9.179 1.00 0.08 H new ATOM 0 HD2 PHE A 89 -3.026 3.910 -8.456 1.00 0.09 H new ATOM 0 HE1 PHE A 89 -1.316 8.332 -7.161 1.00 0.07 H new ATOM 0 HE2 PHE A 89 -3.884 5.018 -6.439 1.00 0.07 H new ATOM 0 HZ PHE A 89 -3.026 7.226 -5.788 1.00 0.07 H new ATOM 1387 N SER A 90 1.987 5.563 -9.208 1.00 0.14 N ATOM 1388 CA SER A 90 2.797 6.313 -8.196 1.00 0.13 C ATOM 1389 C SER A 90 2.618 7.823 -8.368 1.00 0.11 C ATOM 1390 O SER A 90 2.045 8.276 -9.340 1.00 0.17 O ATOM 1391 CB SER A 90 4.270 5.954 -8.375 1.00 0.25 C ATOM 1392 OG SER A 90 4.647 6.621 -9.572 1.00 0.31 O ATOM 0 H SER A 90 2.315 5.637 -10.171 1.00 0.14 H new ATOM 0 HA SER A 90 2.458 6.036 -7.198 1.00 0.13 H new ATOM 0 HB2 SER A 90 4.868 6.289 -7.527 1.00 0.25 H new ATOM 0 HB3 SER A 90 4.410 4.876 -8.458 1.00 0.25 H new ATOM 0 HG SER A 90 5.592 6.443 -9.762 1.00 0.31 H new ATOM 1398 N GLY A 91 3.120 8.565 -7.409 1.00 0.08 N ATOM 1399 CA GLY A 91 3.002 10.054 -7.478 1.00 0.14 C ATOM 1400 C GLY A 91 2.239 10.582 -6.262 1.00 0.17 C ATOM 1401 O GLY A 91 1.213 10.049 -5.891 1.00 0.39 O ATOM 0 H GLY A 91 3.604 8.205 -6.586 1.00 0.08 H new ATOM 0 HA2 GLY A 91 3.994 10.503 -7.516 1.00 0.14 H new ATOM 0 HA3 GLY A 91 2.486 10.343 -8.394 1.00 0.14 H new ATOM 1405 N ALA A 92 2.759 11.619 -5.666 1.00 0.11 N ATOM 1406 CA ALA A 92 2.076 12.194 -4.471 1.00 0.17 C ATOM 1407 C ALA A 92 0.674 12.684 -4.849 1.00 0.32 C ATOM 1408 O ALA A 92 0.495 13.819 -5.242 1.00 0.89 O ATOM 1409 CB ALA A 92 2.900 13.366 -3.940 1.00 0.18 C ATOM 0 H ALA A 92 3.618 12.090 -5.950 1.00 0.11 H new ATOM 0 HA ALA A 92 1.986 11.425 -3.704 1.00 0.17 H new ATOM 0 HB1 ALA A 92 2.407 13.791 -3.066 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.894 13.015 -3.661 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.989 14.129 -4.714 1.00 0.18 H new ATOM 1415 N ASN A 93 -0.290 11.813 -4.721 1.00 0.22 N ATOM 1416 CA ASN A 93 -1.688 12.209 -5.066 1.00 0.12 C ATOM 1417 C ASN A 93 -2.680 11.540 -4.106 1.00 0.22 C ATOM 1418 O ASN A 93 -2.494 10.404 -3.716 1.00 0.48 O ATOM 1419 CB ASN A 93 -1.994 11.776 -6.498 1.00 0.16 C ATOM 1420 CG ASN A 93 -3.223 12.535 -7.000 1.00 0.37 C ATOM 1421 OD1 ASN A 93 -3.202 13.153 -8.046 1.00 0.15 O ATOM 1422 ND2 ASN A 93 -4.314 12.515 -6.284 1.00 0.87 N ATOM 0 H ASN A 93 -0.174 10.853 -4.396 1.00 0.22 H new ATOM 0 HA ASN A 93 -1.786 13.291 -4.977 1.00 0.12 H new ATOM 0 HB2 ASN A 93 -1.138 11.978 -7.143 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.175 10.702 -6.535 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.143 13.016 -6.603 1.00 0.87 H new ATOM 0 HD22 ASN A 93 -4.338 11.998 -5.405 1.00 0.87 H new ATOM 1429 N LYS A 94 -3.712 12.266 -3.750 1.00 0.56 N ATOM 1430 CA LYS A 94 -4.733 11.702 -2.813 1.00 0.68 C ATOM 1431 C LYS A 94 -6.079 11.528 -3.528 1.00 0.68 C ATOM 1432 O LYS A 94 -6.635 10.449 -3.555 1.00 0.65 O ATOM 1433 CB LYS A 94 -4.905 12.660 -1.638 1.00 1.00 C ATOM 1434 CG LYS A 94 -3.523 13.072 -1.124 1.00 0.19 C ATOM 1435 CD LYS A 94 -3.253 14.531 -1.507 1.00 0.83 C ATOM 1436 CE LYS A 94 -4.104 15.449 -0.625 1.00 1.45 C ATOM 1437 NZ LYS A 94 -4.779 16.490 -1.451 1.00 2.00 N ATOM 0 H LYS A 94 -3.891 13.219 -4.066 1.00 0.56 H new ATOM 0 HA LYS A 94 -4.396 10.727 -2.461 1.00 0.68 H new ATOM 0 HB2 LYS A 94 -5.469 13.540 -1.949 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -5.475 12.181 -0.842 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -3.475 12.954 -0.042 1.00 0.19 H new ATOM 0 HG3 LYS A 94 -2.756 12.425 -1.550 1.00 0.19 H new ATOM 0 HD2 LYS A 94 -2.196 14.763 -1.380 1.00 0.83 H new ATOM 0 HD3 LYS A 94 -3.491 14.694 -2.558 1.00 0.83 H new ATOM 0 HE2 LYS A 94 -4.850 14.860 -0.091 1.00 1.45 H new ATOM 0 HE3 LYS A 94 -3.475 15.925 0.127 1.00 1.45 H new ATOM 0 HZ1 LYS A 94 -5.352 17.103 -0.837 1.00 2.00 H new ATOM 0 HZ2 LYS A 94 -4.063 17.063 -1.941 1.00 2.00 H new ATOM 0 HZ3 LYS A 94 -5.395 16.031 -2.153 1.00 2.00 H new ATOM 1451 N GLU A 95 -6.572 12.596 -4.090 1.00 0.78 N ATOM 1452 CA GLU A 95 -7.880 12.515 -4.799 1.00 0.88 C ATOM 1453 C GLU A 95 -7.898 11.305 -5.733 1.00 0.72 C ATOM 1454 O GLU A 95 -8.948 10.821 -6.108 1.00 0.78 O ATOM 1455 CB GLU A 95 -8.087 13.789 -5.613 1.00 1.06 C ATOM 1456 CG GLU A 95 -8.651 14.882 -4.703 1.00 0.75 C ATOM 1457 CD GLU A 95 -8.856 16.162 -5.515 1.00 1.27 C ATOM 1458 OE1 GLU A 95 -7.875 16.871 -5.664 1.00 1.84 O ATOM 1459 OE2 GLU A 95 -9.983 16.358 -5.940 1.00 1.86 O ATOM 0 H GLU A 95 -6.130 13.515 -4.090 1.00 0.78 H new ATOM 0 HA GLU A 95 -8.680 12.408 -4.067 1.00 0.88 H new ATOM 0 HB2 GLU A 95 -7.142 14.114 -6.049 1.00 1.06 H new ATOM 0 HB3 GLU A 95 -8.771 13.599 -6.440 1.00 1.06 H new ATOM 0 HG2 GLU A 95 -9.597 14.558 -4.269 1.00 0.75 H new ATOM 0 HG3 GLU A 95 -7.968 15.069 -3.874 1.00 0.75 H new ATOM 1466 N LYS A 96 -6.735 10.842 -6.087 1.00 0.57 N ATOM 1467 CA LYS A 96 -6.662 9.664 -6.998 1.00 0.49 C ATOM 1468 C LYS A 96 -6.931 8.373 -6.219 1.00 0.35 C ATOM 1469 O LYS A 96 -7.708 7.547 -6.638 1.00 0.38 O ATOM 1470 CB LYS A 96 -5.269 9.597 -7.622 1.00 0.39 C ATOM 1471 CG LYS A 96 -5.186 8.363 -8.524 1.00 0.54 C ATOM 1472 CD LYS A 96 -4.285 8.673 -9.726 1.00 1.04 C ATOM 1473 CE LYS A 96 -4.999 9.646 -10.676 1.00 0.50 C ATOM 1474 NZ LYS A 96 -4.192 10.886 -10.853 1.00 0.77 N ATOM 0 H LYS A 96 -5.837 11.223 -5.789 1.00 0.57 H new ATOM 0 HA LYS A 96 -7.416 9.770 -7.778 1.00 0.49 H new ATOM 0 HB2 LYS A 96 -5.072 10.500 -8.200 1.00 0.39 H new ATOM 0 HB3 LYS A 96 -4.509 9.545 -6.842 1.00 0.39 H new ATOM 0 HG2 LYS A 96 -4.788 7.516 -7.965 1.00 0.54 H new ATOM 0 HG3 LYS A 96 -6.182 8.080 -8.865 1.00 0.54 H new ATOM 0 HD2 LYS A 96 -3.345 9.108 -9.385 1.00 1.04 H new ATOM 0 HD3 LYS A 96 -4.037 7.752 -10.253 1.00 1.04 H new ATOM 0 HE2 LYS A 96 -5.160 9.168 -11.642 1.00 0.50 H new ATOM 0 HE3 LYS A 96 -5.982 9.898 -10.277 1.00 0.50 H new ATOM 0 HZ1 LYS A 96 -4.688 11.534 -11.498 1.00 0.77 H new ATOM 0 HZ2 LYS A 96 -4.060 11.349 -9.931 1.00 0.77 H new ATOM 0 HZ3 LYS A 96 -3.264 10.642 -11.254 1.00 0.77 H new ATOM 1488 N LEU A 97 -6.279 8.233 -5.099 1.00 0.24 N ATOM 1489 CA LEU A 97 -6.479 7.001 -4.274 1.00 0.11 C ATOM 1490 C LEU A 97 -7.971 6.685 -4.141 1.00 0.12 C ATOM 1491 O LEU A 97 -8.425 5.641 -4.556 1.00 0.16 O ATOM 1492 CB LEU A 97 -5.893 7.239 -2.882 1.00 0.20 C ATOM 1493 CG LEU A 97 -4.361 7.139 -2.944 1.00 0.15 C ATOM 1494 CD1 LEU A 97 -3.775 7.610 -1.612 1.00 0.12 C ATOM 1495 CD2 LEU A 97 -3.934 5.681 -3.192 1.00 0.13 C ATOM 0 H LEU A 97 -5.620 8.911 -4.718 1.00 0.24 H new ATOM 0 HA LEU A 97 -5.981 6.161 -4.759 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -6.189 8.222 -2.515 1.00 0.20 H new ATOM 0 HB3 LEU A 97 -6.287 6.504 -2.180 1.00 0.20 H new ATOM 0 HG LEU A 97 -3.995 7.763 -3.759 1.00 0.15 H new ATOM 0 HD11 LEU A 97 -2.688 7.542 -1.648 1.00 0.12 H new ATOM 0 HD12 LEU A 97 -4.068 8.644 -1.431 1.00 0.12 H new ATOM 0 HD13 LEU A 97 -4.151 6.980 -0.806 1.00 0.12 H new ATOM 0 HD21 LEU A 97 -2.846 5.623 -3.234 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.300 5.052 -2.381 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -4.353 5.335 -4.137 1.00 0.13 H new ATOM 1507 N GLU A 98 -8.699 7.597 -3.563 1.00 0.12 N ATOM 1508 CA GLU A 98 -10.163 7.370 -3.380 1.00 0.16 C ATOM 1509 C GLU A 98 -10.789 6.807 -4.656 1.00 0.19 C ATOM 1510 O GLU A 98 -11.123 5.641 -4.731 1.00 0.26 O ATOM 1511 CB GLU A 98 -10.831 8.699 -3.030 1.00 0.18 C ATOM 1512 CG GLU A 98 -12.331 8.472 -2.835 1.00 0.25 C ATOM 1513 CD GLU A 98 -13.093 9.117 -3.994 1.00 1.82 C ATOM 1514 OE1 GLU A 98 -13.061 10.336 -4.050 1.00 2.12 O ATOM 1515 OE2 GLU A 98 -13.664 8.356 -4.756 1.00 3.05 O ATOM 0 H GLU A 98 -8.348 8.487 -3.210 1.00 0.12 H new ATOM 0 HA GLU A 98 -10.311 6.649 -2.576 1.00 0.16 H new ATOM 0 HB2 GLU A 98 -10.392 9.112 -2.122 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.661 9.425 -3.825 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.547 7.404 -2.792 1.00 0.25 H new ATOM 0 HG3 GLU A 98 -12.656 8.901 -1.887 1.00 0.25 H new ATOM 1522 N ALA A 99 -10.931 7.650 -5.627 1.00 0.17 N ATOM 1523 CA ALA A 99 -11.543 7.201 -6.916 1.00 0.19 C ATOM 1524 C ALA A 99 -10.937 5.865 -7.363 1.00 0.20 C ATOM 1525 O ALA A 99 -11.645 4.968 -7.774 1.00 0.23 O ATOM 1526 CB ALA A 99 -11.286 8.263 -7.984 1.00 0.21 C ATOM 0 H ALA A 99 -10.654 8.631 -5.594 1.00 0.17 H new ATOM 0 HA ALA A 99 -12.615 7.064 -6.774 1.00 0.19 H new ATOM 0 HB1 ALA A 99 -11.729 7.944 -8.928 1.00 0.21 H new ATOM 0 HB2 ALA A 99 -11.734 9.207 -7.674 1.00 0.21 H new ATOM 0 HB3 ALA A 99 -10.212 8.396 -8.114 1.00 0.21 H new ATOM 1532 N THR A 100 -9.638 5.761 -7.279 1.00 0.20 N ATOM 1533 CA THR A 100 -8.981 4.488 -7.698 1.00 0.21 C ATOM 1534 C THR A 100 -9.582 3.311 -6.922 1.00 0.18 C ATOM 1535 O THR A 100 -9.924 2.297 -7.497 1.00 0.20 O ATOM 1536 CB THR A 100 -7.478 4.580 -7.431 1.00 0.21 C ATOM 1537 OG1 THR A 100 -7.068 5.784 -8.071 1.00 0.35 O ATOM 1538 CG2 THR A 100 -6.714 3.470 -8.146 1.00 0.30 C ATOM 0 H THR A 100 -9.010 6.491 -6.943 1.00 0.20 H new ATOM 0 HA THR A 100 -9.148 4.327 -8.763 1.00 0.21 H new ATOM 0 HB THR A 100 -7.288 4.523 -6.359 1.00 0.21 H new ATOM 0 HG1 THR A 100 -7.256 6.547 -7.485 1.00 0.35 H new ATOM 0 HG21 THR A 100 -5.649 3.566 -7.934 1.00 0.30 H new ATOM 0 HG22 THR A 100 -7.068 2.501 -7.795 1.00 0.30 H new ATOM 0 HG23 THR A 100 -6.879 3.549 -9.221 1.00 0.30 H new ATOM 1546 N ILE A 101 -9.691 3.466 -5.629 1.00 0.16 N ATOM 1547 CA ILE A 101 -10.293 2.375 -4.815 1.00 0.14 C ATOM 1548 C ILE A 101 -11.699 2.117 -5.325 1.00 0.14 C ATOM 1549 O ILE A 101 -12.139 0.989 -5.426 1.00 0.17 O ATOM 1550 CB ILE A 101 -10.345 2.808 -3.343 1.00 0.13 C ATOM 1551 CG1 ILE A 101 -9.016 2.459 -2.662 1.00 0.20 C ATOM 1552 CG2 ILE A 101 -11.485 2.075 -2.631 1.00 0.10 C ATOM 1553 CD1 ILE A 101 -8.709 3.514 -1.596 1.00 0.43 C ATOM 0 H ILE A 101 -9.393 4.291 -5.108 1.00 0.16 H new ATOM 0 HA ILE A 101 -9.696 1.467 -4.897 1.00 0.14 H new ATOM 0 HB ILE A 101 -10.515 3.883 -3.289 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -9.075 1.470 -2.207 1.00 0.20 H new ATOM 0 HG13 ILE A 101 -8.213 2.424 -3.399 1.00 0.20 H new ATOM 0 HG21 ILE A 101 -11.520 2.384 -1.586 1.00 0.10 H new ATOM 0 HG22 ILE A 101 -12.432 2.319 -3.113 1.00 0.10 H new ATOM 0 HG23 ILE A 101 -11.316 1.000 -2.686 1.00 0.10 H new ATOM 0 HD11 ILE A 101 -7.765 3.273 -1.107 1.00 0.43 H new ATOM 0 HD12 ILE A 101 -8.634 4.495 -2.066 1.00 0.43 H new ATOM 0 HD13 ILE A 101 -9.509 3.526 -0.855 1.00 0.43 H new ATOM 1565 N ASN A 102 -12.369 3.178 -5.639 1.00 0.14 N ATOM 1566 CA ASN A 102 -13.747 3.049 -6.170 1.00 0.17 C ATOM 1567 C ASN A 102 -13.694 2.325 -7.511 1.00 0.18 C ATOM 1568 O ASN A 102 -14.704 1.911 -8.044 1.00 0.21 O ATOM 1569 CB ASN A 102 -14.332 4.448 -6.365 1.00 0.20 C ATOM 1570 CG ASN A 102 -15.849 4.402 -6.192 1.00 0.53 C ATOM 1571 OD1 ASN A 102 -16.451 3.347 -6.158 1.00 0.66 O ATOM 1572 ND2 ASN A 102 -16.504 5.524 -6.083 1.00 0.93 N ATOM 0 H ASN A 102 -12.023 4.134 -5.552 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.370 2.485 -5.476 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.895 5.139 -5.644 1.00 0.20 H new ATOM 0 HB3 ASN A 102 -14.081 4.822 -7.357 1.00 0.20 H new ATOM 0 HD21 ASN A 102 -17.518 5.514 -5.970 1.00 0.93 H new ATOM 0 HD22 ASN A 102 -16.003 6.412 -6.111 1.00 0.93 H new ATOM 1579 N GLU A 103 -12.503 2.192 -8.029 1.00 0.18 N ATOM 1580 CA GLU A 103 -12.342 1.502 -9.335 1.00 0.22 C ATOM 1581 C GLU A 103 -12.422 -0.018 -9.156 1.00 0.23 C ATOM 1582 O GLU A 103 -13.116 -0.692 -9.891 1.00 0.27 O ATOM 1583 CB GLU A 103 -10.981 1.874 -9.927 1.00 0.21 C ATOM 1584 CG GLU A 103 -11.055 1.791 -11.453 1.00 0.27 C ATOM 1585 CD GLU A 103 -9.691 2.144 -12.046 1.00 0.87 C ATOM 1586 OE1 GLU A 103 -8.718 1.898 -11.352 1.00 2.06 O ATOM 1587 OE2 GLU A 103 -9.697 2.640 -13.161 1.00 1.01 O ATOM 0 H GLU A 103 -11.640 2.531 -7.604 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.143 1.815 -10.004 1.00 0.22 H new ATOM 0 HB2 GLU A 103 -10.700 2.881 -9.619 1.00 0.21 H new ATOM 0 HB3 GLU A 103 -10.211 1.200 -9.551 1.00 0.21 H new ATOM 0 HG2 GLU A 103 -11.349 0.787 -11.760 1.00 0.27 H new ATOM 0 HG3 GLU A 103 -11.816 2.475 -11.829 1.00 0.27 H new ATOM 1594 N LEU A 104 -11.712 -0.527 -8.178 1.00 0.20 N ATOM 1595 CA LEU A 104 -11.729 -2.008 -7.955 1.00 0.21 C ATOM 1596 C LEU A 104 -12.688 -2.386 -6.816 1.00 0.22 C ATOM 1597 O LEU A 104 -12.872 -3.553 -6.527 1.00 0.24 O ATOM 1598 CB LEU A 104 -10.315 -2.481 -7.606 1.00 0.21 C ATOM 1599 CG LEU A 104 -9.307 -1.834 -8.563 1.00 0.20 C ATOM 1600 CD1 LEU A 104 -7.928 -2.457 -8.336 1.00 0.20 C ATOM 1601 CD2 LEU A 104 -9.741 -2.091 -10.009 1.00 0.20 C ATOM 0 H LEU A 104 -11.130 0.008 -7.534 1.00 0.20 H new ATOM 0 HA LEU A 104 -12.075 -2.491 -8.869 1.00 0.21 H new ATOM 0 HB2 LEU A 104 -10.076 -2.216 -6.576 1.00 0.21 H new ATOM 0 HB3 LEU A 104 -10.255 -3.567 -7.678 1.00 0.21 H new ATOM 0 HG LEU A 104 -9.264 -0.761 -8.378 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.207 -2.001 -9.014 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.616 -2.286 -7.306 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.977 -3.529 -8.527 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.025 -1.632 -10.691 1.00 0.20 H new ATOM 0 HD22 LEU A 104 -9.779 -3.165 -10.192 1.00 0.20 H new ATOM 0 HD23 LEU A 104 -10.728 -1.660 -10.175 1.00 0.20 H new ATOM 1613 N VAL A 105 -13.280 -1.404 -6.189 1.00 0.20 N ATOM 1614 CA VAL A 105 -14.227 -1.726 -5.077 1.00 0.21 C ATOM 1615 C VAL A 105 -15.271 -2.741 -5.553 1.00 0.24 C ATOM 1616 O VAL A 105 -15.787 -3.432 -4.689 1.00 1.26 O ATOM 1617 CB VAL A 105 -14.930 -0.451 -4.617 1.00 0.18 C ATOM 1618 CG1 VAL A 105 -16.005 -0.071 -5.638 1.00 0.23 C ATOM 1619 CG2 VAL A 105 -15.592 -0.708 -3.263 1.00 0.19 C ATOM 1620 OXT VAL A 105 -15.493 -2.769 -6.752 1.00 1.18 O ATOM 0 H VAL A 105 -13.154 -0.412 -6.391 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.666 -2.154 -4.246 1.00 0.21 H new ATOM 0 HB VAL A 105 -14.206 0.359 -4.528 1.00 0.18 H new ATOM 0 HG11 VAL A 105 -16.510 0.839 -5.313 1.00 0.23 H new ATOM 0 HG12 VAL A 105 -15.541 0.098 -6.609 1.00 0.23 H new ATOM 0 HG13 VAL A 105 -16.732 -0.879 -5.719 1.00 0.23 H new ATOM 0 HG21 VAL A 105 -16.097 0.198 -2.927 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.320 -1.514 -3.361 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.832 -0.992 -2.535 1.00 0.19 H new