USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.809) USER MOD Single : A 4 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.024 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= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.118) USER MOD Single : A 28 SER OG : rot 126:sc= -1.4! 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+ -150:sc= 0.337 (180deg=0.0585) USER MOD Single : A 43 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.00053) USER MOD Single : A 44 SER OG : rot 70:sc= 0.851 USER MOD Single : A 46 SER OG : rot 93:sc= 0.417 USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.199 (180deg=-0.988) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -27:sc= 0.267 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 76 THR OG1 : rot 105:sc= 0.397 USER MOD Single : A 78 GLN : amide:sc= -5.05! C(o=-5.1!,f=-3.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -2.88! (180deg=-3.67!) USER MOD Single : A 84 GLN : amide:sc= -2.11! K(o=-2.1!,f=-0.62) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.55! K(o=-3.6!,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0563) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 80:sc= 0.337 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.144) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.507 -2.522 8.915 1.00 0.20 N ATOM 37 CA LYS A 3 -1.483 -3.543 9.304 1.00 0.18 C ATOM 38 C LYS A 3 -0.121 -3.127 8.753 1.00 0.15 C ATOM 39 O LYS A 3 0.029 -2.869 7.575 1.00 0.16 O ATOM 40 CB LYS A 3 -1.888 -4.901 8.715 1.00 0.19 C ATOM 41 CG LYS A 3 -0.863 -5.978 9.095 1.00 0.20 C ATOM 42 CD LYS A 3 -1.457 -7.364 8.822 1.00 0.81 C ATOM 43 CE LYS A 3 -0.433 -8.449 9.172 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.052 -9.794 8.982 1.00 1.67 N ATOM 0 HA LYS A 3 -1.423 -3.618 10.390 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.875 -5.184 9.082 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.961 -4.826 7.630 1.00 0.19 H new ATOM 0 HG2 LYS A 3 0.053 -5.843 8.520 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.595 -5.886 10.148 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -2.363 -7.503 9.412 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.743 -7.446 7.773 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.449 -8.350 8.539 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.101 -8.332 10.203 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.779 -10.416 9.770 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -2.087 -9.699 8.958 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -0.721 -10.205 8.086 1.00 1.67 H new ATOM 58 N GLN A 4 0.879 -3.074 9.590 1.00 0.15 N ATOM 59 CA GLN A 4 2.238 -2.690 9.112 1.00 0.14 C ATOM 60 C GLN A 4 3.024 -3.960 8.796 1.00 0.12 C ATOM 61 O GLN A 4 3.196 -4.819 9.638 1.00 0.13 O ATOM 62 CB GLN A 4 2.945 -1.890 10.214 1.00 0.16 C ATOM 63 CG GLN A 4 4.355 -1.494 9.766 1.00 0.17 C ATOM 64 CD GLN A 4 5.061 -0.782 10.919 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.739 -1.000 12.069 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.016 0.069 10.660 1.00 0.31 N ATOM 0 H GLN A 4 0.813 -3.281 10.587 1.00 0.15 H new ATOM 0 HA GLN A 4 2.169 -2.077 8.214 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.367 -0.996 10.451 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.000 -2.485 11.126 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.918 -2.379 9.468 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.304 -0.841 8.895 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.287 0.253 9.694 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.491 0.550 11.424 1.00 0.31 H new ATOM 75 N ILE A 5 3.508 -4.085 7.585 1.00 0.10 N ATOM 76 CA ILE A 5 4.289 -5.302 7.210 1.00 0.10 C ATOM 77 C ILE A 5 5.772 -4.947 7.278 1.00 0.10 C ATOM 78 O ILE A 5 6.248 -4.104 6.543 1.00 0.11 O ATOM 79 CB ILE A 5 3.956 -5.693 5.764 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.434 -5.754 5.559 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.565 -7.063 5.447 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.797 -6.815 6.463 1.00 0.19 C ATOM 0 H ILE A 5 3.396 -3.397 6.841 1.00 0.10 H new ATOM 0 HA ILE A 5 4.048 -6.126 7.882 1.00 0.10 H new ATOM 0 HB ILE A 5 4.373 -4.940 5.096 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.996 -4.779 5.773 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.213 -5.981 4.516 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.327 -7.338 4.420 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.647 -7.017 5.569 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.155 -7.810 6.127 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.720 -6.836 6.297 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.219 -7.793 6.230 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.998 -6.572 7.506 1.00 0.19 H new ATOM 94 N GLU A 6 6.506 -5.576 8.154 1.00 0.11 N ATOM 95 CA GLU A 6 7.957 -5.274 8.269 1.00 0.13 C ATOM 96 C GLU A 6 8.756 -6.341 7.518 1.00 0.12 C ATOM 97 O GLU A 6 9.967 -6.289 7.458 1.00 0.13 O ATOM 98 CB GLU A 6 8.354 -5.298 9.748 1.00 0.15 C ATOM 99 CG GLU A 6 7.542 -4.249 10.520 1.00 0.17 C ATOM 100 CD GLU A 6 6.160 -4.811 10.874 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.868 -5.920 10.461 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.421 -4.122 11.555 1.00 2.25 O ATOM 0 H GLU A 6 6.160 -6.289 8.797 1.00 0.11 H new ATOM 0 HA GLU A 6 8.166 -4.293 7.843 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.176 -6.289 10.166 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.420 -5.095 9.851 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.072 -3.964 11.429 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.433 -3.346 9.919 1.00 0.17 H new ATOM 109 N SER A 7 8.093 -7.313 6.941 1.00 0.12 N ATOM 110 CA SER A 7 8.841 -8.381 6.202 1.00 0.13 C ATOM 111 C SER A 7 7.965 -9.046 5.142 1.00 0.12 C ATOM 112 O SER A 7 6.754 -9.064 5.234 1.00 0.12 O ATOM 113 CB SER A 7 9.310 -9.451 7.187 1.00 0.15 C ATOM 114 OG SER A 7 8.181 -10.023 7.835 1.00 0.15 O ATOM 0 H SER A 7 7.078 -7.414 6.948 1.00 0.12 H new ATOM 0 HA SER A 7 9.692 -7.911 5.709 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.872 -10.223 6.662 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.983 -9.013 7.924 1.00 0.15 H new ATOM 0 HG SER A 7 8.480 -10.711 8.466 1.00 0.15 H new ATOM 120 N LYS A 8 8.588 -9.622 4.148 1.00 0.14 N ATOM 121 CA LYS A 8 7.821 -10.323 3.084 1.00 0.15 C ATOM 122 C LYS A 8 7.084 -11.495 3.718 1.00 0.15 C ATOM 123 O LYS A 8 6.013 -11.882 3.296 1.00 0.16 O ATOM 124 CB LYS A 8 8.781 -10.838 2.014 1.00 0.18 C ATOM 125 CG LYS A 8 7.972 -11.330 0.814 1.00 0.21 C ATOM 126 CD LYS A 8 8.908 -11.890 -0.269 1.00 0.43 C ATOM 127 CE LYS A 8 9.716 -13.074 0.280 1.00 0.80 C ATOM 128 NZ LYS A 8 10.116 -13.966 -0.845 1.00 1.65 N ATOM 0 H LYS A 8 9.601 -9.635 4.029 1.00 0.14 H new ATOM 0 HA LYS A 8 7.110 -9.639 2.620 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.464 -10.045 1.708 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.391 -11.648 2.414 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.270 -12.101 1.132 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.381 -10.511 0.405 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.325 -12.209 -1.133 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.585 -11.108 -0.613 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.601 -12.713 0.804 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.121 -13.629 1.005 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.664 -14.769 -0.474 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.265 -14.321 -1.326 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.699 -13.432 -1.521 1.00 1.65 H new ATOM 142 N THR A 9 7.657 -12.065 4.738 1.00 0.15 N ATOM 143 CA THR A 9 7.000 -13.214 5.404 1.00 0.17 C ATOM 144 C THR A 9 5.636 -12.767 5.919 1.00 0.16 C ATOM 145 O THR A 9 4.634 -13.418 5.710 1.00 0.17 O ATOM 146 CB THR A 9 7.873 -13.670 6.576 1.00 0.19 C ATOM 147 OG1 THR A 9 9.158 -14.034 6.092 1.00 0.22 O ATOM 148 CG2 THR A 9 7.229 -14.870 7.269 1.00 0.23 C ATOM 0 H THR A 9 8.552 -11.783 5.138 1.00 0.15 H new ATOM 0 HA THR A 9 6.872 -14.039 4.704 1.00 0.17 H new ATOM 0 HB THR A 9 7.969 -12.854 7.292 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.719 -14.325 6.841 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.856 -15.189 8.102 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.244 -14.589 7.643 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.127 -15.689 6.557 1.00 0.23 H new ATOM 156 N ALA A 10 5.591 -11.651 6.578 1.00 0.15 N ATOM 157 CA ALA A 10 4.292 -11.141 7.089 1.00 0.15 C ATOM 158 C ALA A 10 3.416 -10.732 5.899 1.00 0.14 C ATOM 159 O ALA A 10 2.207 -10.810 5.950 1.00 0.15 O ATOM 160 CB ALA A 10 4.541 -9.939 8.008 1.00 0.17 C ATOM 0 H ALA A 10 6.400 -11.066 6.787 1.00 0.15 H new ATOM 0 HA ALA A 10 3.782 -11.917 7.660 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.589 -9.564 8.383 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.166 -10.246 8.847 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.046 -9.151 7.448 1.00 0.17 H new ATOM 166 N PHE A 11 4.026 -10.298 4.826 1.00 0.14 N ATOM 167 CA PHE A 11 3.241 -9.877 3.624 1.00 0.13 C ATOM 168 C PHE A 11 2.416 -11.052 3.127 1.00 0.14 C ATOM 169 O PHE A 11 1.268 -10.912 2.749 1.00 0.14 O ATOM 170 CB PHE A 11 4.225 -9.465 2.516 1.00 0.14 C ATOM 171 CG PHE A 11 3.485 -8.802 1.373 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.855 -7.571 1.568 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.450 -9.414 0.109 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.182 -6.953 0.507 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.780 -8.796 -0.950 1.00 0.14 C ATOM 176 CZ PHE A 11 2.145 -7.565 -0.751 1.00 0.14 C ATOM 0 H PHE A 11 5.038 -10.216 4.729 1.00 0.14 H new ATOM 0 HA PHE A 11 2.585 -9.046 3.882 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.972 -8.781 2.920 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.760 -10.342 2.151 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.887 -7.096 2.537 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.942 -10.363 -0.044 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.691 -6.003 0.660 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.752 -9.268 -1.921 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.626 -7.087 -1.569 1.00 0.14 H new ATOM 186 N GLN A 12 2.999 -12.209 3.124 1.00 0.14 N ATOM 187 CA GLN A 12 2.264 -13.412 2.651 1.00 0.16 C ATOM 188 C GLN A 12 1.127 -13.710 3.629 1.00 0.15 C ATOM 189 O GLN A 12 0.020 -14.028 3.243 1.00 0.16 O ATOM 190 CB GLN A 12 3.240 -14.593 2.639 1.00 0.18 C ATOM 191 CG GLN A 12 4.352 -14.323 1.624 1.00 0.17 C ATOM 192 CD GLN A 12 3.753 -14.259 0.219 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.741 -13.218 -0.401 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.240 -15.339 -0.305 1.00 1.31 N ATOM 0 H GLN A 12 3.957 -12.378 3.429 1.00 0.14 H new ATOM 0 HA GLN A 12 1.857 -13.247 1.653 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.666 -14.737 3.632 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.713 -15.512 2.382 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.855 -13.385 1.860 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.105 -15.110 1.675 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.251 -16.215 0.218 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.828 -15.307 -1.238 1.00 1.31 H new ATOM 203 N GLU A 13 1.406 -13.593 4.899 1.00 0.16 N ATOM 204 CA GLU A 13 0.370 -13.851 5.941 1.00 0.17 C ATOM 205 C GLU A 13 -0.755 -12.818 5.852 1.00 0.15 C ATOM 206 O GLU A 13 -1.917 -13.139 6.012 1.00 0.16 O ATOM 207 CB GLU A 13 1.038 -13.789 7.324 1.00 0.19 C ATOM 208 CG GLU A 13 1.750 -15.113 7.630 1.00 0.28 C ATOM 209 CD GLU A 13 2.799 -15.410 6.558 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.410 -15.710 5.441 1.00 1.77 O ATOM 211 OE2 GLU A 13 3.975 -15.340 6.877 1.00 1.67 O ATOM 0 H GLU A 13 2.320 -13.326 5.264 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.067 -14.837 5.782 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.754 -12.968 7.353 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.288 -13.586 8.089 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.225 -15.060 8.609 1.00 0.28 H new ATOM 0 HG3 GLU A 13 1.023 -15.924 7.672 1.00 0.28 H new ATOM 218 N ALA A 14 -0.422 -11.581 5.619 1.00 0.15 N ATOM 219 CA ALA A 14 -1.477 -10.538 5.538 1.00 0.14 C ATOM 220 C ALA A 14 -2.345 -10.792 4.303 1.00 0.13 C ATOM 221 O ALA A 14 -3.549 -10.634 4.339 1.00 0.13 O ATOM 222 CB ALA A 14 -0.824 -9.155 5.446 1.00 0.15 C ATOM 0 H ALA A 14 0.532 -11.248 5.482 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.102 -10.576 6.430 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.598 -8.390 5.387 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.211 -8.983 6.331 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.198 -9.107 4.555 1.00 0.15 H new ATOM 228 N LEU A 15 -1.753 -11.191 3.207 1.00 0.12 N ATOM 229 CA LEU A 15 -2.568 -11.454 1.989 1.00 0.12 C ATOM 230 C LEU A 15 -3.552 -12.582 2.296 1.00 0.13 C ATOM 231 O LEU A 15 -4.696 -12.563 1.887 1.00 0.13 O ATOM 232 CB LEU A 15 -1.660 -11.880 0.830 1.00 0.13 C ATOM 233 CG LEU A 15 -0.812 -10.691 0.349 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.314 -11.208 -0.552 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.672 -9.685 -0.435 1.00 0.17 C ATOM 0 H LEU A 15 -0.750 -11.344 3.105 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.103 -10.548 1.705 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.009 -12.694 1.150 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.265 -12.260 0.007 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.395 -10.184 1.220 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.919 -10.369 -0.896 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.941 -11.901 0.010 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.115 -11.723 -1.412 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.049 -8.853 -0.764 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.108 -10.178 -1.304 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.469 -9.310 0.207 1.00 0.17 H new ATOM 247 N ASP A 16 -3.099 -13.571 3.016 1.00 0.13 N ATOM 248 CA ASP A 16 -3.977 -14.716 3.365 1.00 0.15 C ATOM 249 C ASP A 16 -5.047 -14.268 4.367 1.00 0.15 C ATOM 250 O ASP A 16 -6.169 -14.740 4.347 1.00 0.16 O ATOM 251 CB ASP A 16 -3.129 -15.842 3.960 1.00 0.17 C ATOM 252 CG ASP A 16 -3.937 -17.142 3.979 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.018 -17.155 3.411 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.458 -18.104 4.558 1.00 1.07 O ATOM 0 H ASP A 16 -2.148 -13.632 3.380 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.475 -15.081 2.467 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.221 -15.976 3.372 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.819 -15.581 4.972 1.00 0.17 H new ATOM 259 N ALA A 17 -4.704 -13.375 5.255 1.00 0.15 N ATOM 260 CA ALA A 17 -5.696 -12.905 6.265 1.00 0.16 C ATOM 261 C ALA A 17 -6.797 -12.094 5.576 1.00 0.15 C ATOM 262 O ALA A 17 -7.952 -12.157 5.947 1.00 0.17 O ATOM 263 CB ALA A 17 -4.989 -12.026 7.298 1.00 0.18 C ATOM 0 H ALA A 17 -3.779 -12.950 5.325 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.142 -13.768 6.759 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.712 -11.681 8.038 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.209 -12.604 7.794 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.542 -11.166 6.799 1.00 0.18 H new ATOM 269 N ALA A 18 -6.447 -11.334 4.576 1.00 0.14 N ATOM 270 CA ALA A 18 -7.469 -10.514 3.862 1.00 0.15 C ATOM 271 C ALA A 18 -8.485 -11.435 3.198 1.00 0.14 C ATOM 272 O ALA A 18 -9.649 -11.111 3.080 1.00 0.17 O ATOM 273 CB ALA A 18 -6.782 -9.676 2.790 1.00 0.15 C ATOM 0 H ALA A 18 -5.495 -11.244 4.221 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.975 -9.862 4.575 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.525 -9.075 2.266 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.048 -9.019 3.257 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.281 -10.334 2.080 1.00 0.15 H new ATOM 279 N GLY A 19 -8.058 -12.580 2.758 1.00 0.16 N ATOM 280 CA GLY A 19 -9.006 -13.511 2.095 1.00 0.20 C ATOM 281 C GLY A 19 -9.456 -12.919 0.760 1.00 0.16 C ATOM 282 O GLY A 19 -8.648 -12.557 -0.073 1.00 0.17 O ATOM 0 H GLY A 19 -7.096 -12.912 2.828 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.529 -14.478 1.933 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.870 -13.685 2.737 1.00 0.20 H new ATOM 286 N ASP A 20 -10.739 -12.830 0.537 1.00 0.15 N ATOM 287 CA ASP A 20 -11.239 -12.284 -0.762 1.00 0.14 C ATOM 288 C ASP A 20 -11.424 -10.764 -0.669 1.00 0.12 C ATOM 289 O ASP A 20 -11.871 -10.132 -1.604 1.00 0.13 O ATOM 290 CB ASP A 20 -12.584 -12.931 -1.090 1.00 0.15 C ATOM 291 CG ASP A 20 -12.407 -14.447 -1.203 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.289 -14.878 -1.412 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.396 -15.149 -1.072 1.00 1.07 O ATOM 0 H ASP A 20 -11.464 -13.111 1.197 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.511 -12.505 -1.543 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.312 -12.696 -0.313 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.975 -12.529 -2.025 1.00 0.15 H new ATOM 298 N LYS A 21 -11.099 -10.171 0.446 1.00 0.12 N ATOM 299 CA LYS A 21 -11.280 -8.694 0.585 1.00 0.12 C ATOM 300 C LYS A 21 -10.188 -7.953 -0.191 1.00 0.10 C ATOM 301 O LYS A 21 -9.084 -8.438 -0.343 1.00 0.11 O ATOM 302 CB LYS A 21 -11.188 -8.314 2.062 1.00 0.15 C ATOM 303 CG LYS A 21 -12.361 -8.925 2.832 1.00 0.21 C ATOM 304 CD LYS A 21 -12.549 -8.171 4.147 1.00 0.31 C ATOM 305 CE LYS A 21 -13.591 -8.887 5.003 1.00 0.80 C ATOM 306 NZ LYS A 21 -14.937 -8.765 4.370 1.00 1.50 N ATOM 0 H LYS A 21 -10.717 -10.641 1.266 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.255 -8.415 0.185 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.245 -8.667 2.479 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.198 -7.229 2.169 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.271 -8.870 2.235 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.172 -9.980 3.028 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.602 -8.112 4.683 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.867 -7.148 3.949 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.325 -9.938 5.112 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.610 -8.457 6.004 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -15.662 -9.118 5.026 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -15.127 -7.767 4.148 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.961 -9.325 3.494 1.00 1.50 H new ATOM 320 N LEU A 22 -10.485 -6.773 -0.684 1.00 0.11 N ATOM 321 CA LEU A 22 -9.461 -6.009 -1.446 1.00 0.12 C ATOM 322 C LEU A 22 -8.267 -5.777 -0.506 1.00 0.12 C ATOM 323 O LEU A 22 -8.415 -5.772 0.701 1.00 0.14 O ATOM 324 CB LEU A 22 -10.078 -4.656 -1.884 1.00 0.15 C ATOM 325 CG LEU A 22 -9.663 -4.255 -3.315 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.193 -2.825 -3.628 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.132 -4.278 -3.459 1.00 0.47 C ATOM 0 H LEU A 22 -11.390 -6.312 -0.589 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.134 -6.548 -2.335 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.165 -4.721 -1.829 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.769 -3.877 -1.187 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.092 -4.970 -4.018 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.900 -2.542 -4.639 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.280 -2.814 -3.549 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.771 -2.116 -2.916 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.858 -3.993 -4.475 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.690 -3.576 -2.753 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.762 -5.282 -3.252 1.00 0.47 H new ATOM 339 N VAL A 23 -7.095 -5.586 -1.043 1.00 0.11 N ATOM 340 CA VAL A 23 -5.897 -5.355 -0.186 1.00 0.11 C ATOM 341 C VAL A 23 -4.999 -4.321 -0.858 1.00 0.11 C ATOM 342 O VAL A 23 -4.393 -4.592 -1.876 1.00 0.17 O ATOM 343 CB VAL A 23 -5.113 -6.663 -0.038 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.856 -6.408 0.798 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.980 -7.715 0.650 1.00 0.12 C ATOM 0 H VAL A 23 -6.913 -5.580 -2.047 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.214 -5.002 0.795 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.829 -7.027 -1.026 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.296 -7.337 0.905 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.233 -5.664 0.301 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.143 -6.041 1.784 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.416 -8.642 0.751 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.271 -7.357 1.638 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.873 -7.898 0.053 1.00 0.12 H new ATOM 355 N VAL A 24 -4.899 -3.141 -0.306 1.00 0.09 N ATOM 356 CA VAL A 24 -4.027 -2.099 -0.926 1.00 0.09 C ATOM 357 C VAL A 24 -2.678 -2.108 -0.201 1.00 0.09 C ATOM 358 O VAL A 24 -2.622 -2.306 0.994 1.00 0.10 O ATOM 359 CB VAL A 24 -4.675 -0.715 -0.776 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.909 0.302 -1.626 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.134 -0.769 -1.239 1.00 0.14 C ATOM 0 H VAL A 24 -5.382 -2.853 0.545 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.893 -2.312 -1.987 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.642 -0.416 0.272 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.369 1.285 -1.520 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.872 0.348 -1.292 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.940 -0.002 -2.672 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.587 0.216 -1.130 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.173 -1.072 -2.285 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.682 -1.490 -0.632 1.00 0.14 H new ATOM 371 N VAL A 25 -1.589 -1.910 -0.910 1.00 0.09 N ATOM 372 CA VAL A 25 -0.239 -1.920 -0.250 1.00 0.09 C ATOM 373 C VAL A 25 0.487 -0.608 -0.553 1.00 0.10 C ATOM 374 O VAL A 25 0.667 -0.242 -1.692 1.00 0.11 O ATOM 375 CB VAL A 25 0.590 -3.090 -0.797 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.894 -3.215 -0.011 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.195 -4.396 -0.661 1.00 0.10 C ATOM 0 H VAL A 25 -1.576 -1.742 -1.916 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.365 -2.030 0.827 1.00 0.09 H new ATOM 0 HB VAL A 25 0.809 -2.900 -1.848 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.478 -4.047 -0.404 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.467 -2.293 -0.107 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.669 -3.394 1.040 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.401 -5.221 -1.052 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.421 -4.577 0.390 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.125 -4.322 -1.224 1.00 0.10 H new ATOM 387 N ASP A 26 0.911 0.097 0.468 1.00 0.11 N ATOM 388 CA ASP A 26 1.642 1.391 0.254 1.00 0.12 C ATOM 389 C ASP A 26 3.152 1.179 0.448 1.00 0.14 C ATOM 390 O ASP A 26 3.605 0.829 1.518 1.00 0.20 O ATOM 391 CB ASP A 26 1.140 2.438 1.258 1.00 0.14 C ATOM 392 CG ASP A 26 1.887 3.754 1.031 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.789 4.290 -0.059 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.557 4.196 1.950 1.00 1.05 O ATOM 0 H ASP A 26 0.783 -0.167 1.445 1.00 0.11 H new ATOM 0 HA ASP A 26 1.457 1.741 -0.762 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.067 2.590 1.137 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.299 2.087 2.278 1.00 0.14 H new ATOM 399 N PHE A 27 3.931 1.406 -0.578 1.00 0.13 N ATOM 400 CA PHE A 27 5.420 1.244 -0.469 1.00 0.13 C ATOM 401 C PHE A 27 6.060 2.597 -0.177 1.00 0.22 C ATOM 402 O PHE A 27 7.222 2.812 -0.447 1.00 0.73 O ATOM 403 CB PHE A 27 5.996 0.680 -1.774 1.00 0.11 C ATOM 404 CG PHE A 27 5.666 -0.788 -1.897 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.461 -1.738 -1.239 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.590 -1.205 -2.685 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.175 -3.103 -1.371 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.307 -2.568 -2.811 1.00 0.14 C ATOM 409 CZ PHE A 27 5.097 -3.516 -2.156 1.00 0.14 C ATOM 0 H PHE A 27 3.600 1.700 -1.497 1.00 0.13 H new ATOM 0 HA PHE A 27 5.638 0.549 0.342 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.588 1.225 -2.626 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.077 0.820 -1.794 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.294 -1.417 -0.631 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.978 -0.476 -3.196 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.788 -3.835 -0.866 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.474 -2.890 -3.418 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.874 -4.568 -2.257 1.00 0.14 H new ATOM 419 N SER A 28 5.312 3.525 0.346 1.00 0.30 N ATOM 420 CA SER A 28 5.900 4.865 0.620 1.00 0.24 C ATOM 421 C SER A 28 7.100 4.746 1.543 1.00 0.24 C ATOM 422 O SER A 28 7.163 3.889 2.400 1.00 0.28 O ATOM 423 CB SER A 28 4.875 5.776 1.286 1.00 0.27 C ATOM 424 OG SER A 28 3.748 5.930 0.434 1.00 0.29 O ATOM 0 H SER A 28 4.329 3.417 0.594 1.00 0.30 H new ATOM 0 HA SER A 28 6.208 5.288 -0.336 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.566 5.354 2.242 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.320 6.749 1.496 1.00 0.27 H new ATOM 0 HG SER A 28 2.932 5.697 0.925 1.00 0.29 H new ATOM 430 N ALA A 29 8.045 5.628 1.378 1.00 0.20 N ATOM 431 CA ALA A 29 9.249 5.615 2.248 1.00 0.21 C ATOM 432 C ALA A 29 8.940 6.439 3.496 1.00 0.22 C ATOM 433 O ALA A 29 8.573 7.595 3.409 1.00 0.22 O ATOM 434 CB ALA A 29 10.439 6.239 1.490 1.00 0.19 C ATOM 0 H ALA A 29 8.033 6.363 0.671 1.00 0.20 H new ATOM 0 HA ALA A 29 9.508 4.593 2.526 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.322 6.229 2.128 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.638 5.662 0.587 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.199 7.267 1.218 1.00 0.19 H new ATOM 440 N THR A 30 9.081 5.868 4.656 1.00 0.23 N ATOM 441 CA THR A 30 8.794 6.657 5.881 1.00 0.24 C ATOM 442 C THR A 30 9.858 7.745 6.011 1.00 0.22 C ATOM 443 O THR A 30 9.604 8.820 6.514 1.00 0.22 O ATOM 444 CB THR A 30 8.838 5.755 7.120 1.00 0.28 C ATOM 445 OG1 THR A 30 8.565 6.538 8.273 1.00 0.30 O ATOM 446 CG2 THR A 30 10.223 5.121 7.252 1.00 0.29 C ATOM 0 H THR A 30 9.378 4.904 4.809 1.00 0.23 H new ATOM 0 HA THR A 30 7.800 7.098 5.807 1.00 0.24 H new ATOM 0 HB THR A 30 8.092 4.966 7.022 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.590 5.967 9.069 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.248 4.481 8.134 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.436 4.524 6.365 1.00 0.29 H new ATOM 0 HG23 THR A 30 10.974 5.905 7.351 1.00 0.29 H new ATOM 454 N TRP A 31 11.051 7.469 5.550 1.00 0.22 N ATOM 455 CA TRP A 31 12.144 8.483 5.639 1.00 0.21 C ATOM 456 C TRP A 31 11.892 9.632 4.668 1.00 0.19 C ATOM 457 O TRP A 31 12.379 10.729 4.857 1.00 0.22 O ATOM 458 CB TRP A 31 13.479 7.832 5.298 1.00 0.23 C ATOM 459 CG TRP A 31 13.467 7.355 3.880 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.248 6.080 3.510 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.654 8.112 2.646 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.346 5.985 2.135 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.579 7.214 1.556 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.892 9.471 2.367 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.734 7.645 0.240 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.043 9.908 1.040 1.00 0.23 C ATOM 467 CH2 TRP A 31 13.964 8.996 -0.019 1.00 0.21 C ATOM 0 H TRP A 31 11.315 6.585 5.116 1.00 0.22 H new ATOM 0 HA TRP A 31 12.167 8.873 6.656 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.289 8.546 5.443 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.667 6.995 5.971 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.030 5.262 4.180 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.257 5.113 1.613 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.959 10.182 3.177 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.676 6.938 -0.574 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.221 10.954 0.836 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.081 9.338 -1.037 1.00 0.21 H new ATOM 478 N CYS A 32 11.145 9.400 3.622 1.00 0.18 N ATOM 479 CA CYS A 32 10.880 10.500 2.651 1.00 0.17 C ATOM 480 C CYS A 32 9.687 11.310 3.164 1.00 0.17 C ATOM 481 O CYS A 32 8.602 10.794 3.354 1.00 0.20 O ATOM 482 CB CYS A 32 10.589 9.905 1.258 1.00 0.18 C ATOM 483 SG CYS A 32 10.801 11.189 -0.015 1.00 0.26 S ATOM 0 H CYS A 32 10.710 8.505 3.399 1.00 0.18 H new ATOM 0 HA CYS A 32 11.748 11.153 2.559 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.261 9.070 1.061 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.573 9.511 1.225 1.00 0.18 H new ATOM 488 N GLY A 33 9.902 12.574 3.422 1.00 0.20 N ATOM 489 CA GLY A 33 8.811 13.439 3.960 1.00 0.23 C ATOM 490 C GLY A 33 7.627 13.501 2.991 1.00 0.21 C ATOM 491 O GLY A 33 6.504 13.249 3.376 1.00 0.22 O ATOM 0 H GLY A 33 10.794 13.047 3.282 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.477 13.052 4.923 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.193 14.444 4.136 1.00 0.23 H new ATOM 495 N PRO A 34 7.854 13.841 1.749 1.00 0.21 N ATOM 496 CA PRO A 34 6.741 13.911 0.763 1.00 0.22 C ATOM 497 C PRO A 34 5.923 12.618 0.716 1.00 0.22 C ATOM 498 O PRO A 34 4.719 12.632 0.554 1.00 0.24 O ATOM 499 CB PRO A 34 7.503 14.135 -0.552 1.00 0.29 C ATOM 500 CG PRO A 34 8.894 14.666 -0.189 1.00 0.31 C ATOM 501 CD PRO A 34 9.208 14.193 1.237 1.00 0.24 C ATOM 0 HA PRO A 34 6.007 14.683 0.995 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.582 13.204 -1.114 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.974 14.846 -1.186 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.642 14.295 -0.890 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.916 15.754 -0.246 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.883 13.337 1.244 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.679 14.975 1.832 1.00 0.24 H new ATOM 509 N ALA A 35 6.578 11.501 0.851 1.00 0.21 N ATOM 510 CA ALA A 35 5.859 10.200 0.801 1.00 0.23 C ATOM 511 C ALA A 35 5.109 9.962 2.117 1.00 0.23 C ATOM 512 O ALA A 35 3.918 9.722 2.127 1.00 0.22 O ATOM 513 CB ALA A 35 6.886 9.086 0.561 1.00 0.24 C ATOM 0 H ALA A 35 7.586 11.433 0.995 1.00 0.21 H new ATOM 0 HA ALA A 35 5.129 10.207 -0.008 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.376 8.123 0.521 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.401 9.263 -0.383 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.612 9.079 1.374 1.00 0.24 H new ATOM 519 N LYS A 36 5.793 10.020 3.228 1.00 0.25 N ATOM 520 CA LYS A 36 5.104 9.799 4.533 1.00 0.27 C ATOM 521 C LYS A 36 4.001 10.844 4.721 1.00 0.26 C ATOM 522 O LYS A 36 2.956 10.568 5.265 1.00 0.27 O ATOM 523 CB LYS A 36 6.104 9.918 5.682 1.00 0.33 C ATOM 524 CG LYS A 36 5.429 9.441 6.973 1.00 0.37 C ATOM 525 CD LYS A 36 6.356 9.673 8.169 1.00 0.44 C ATOM 526 CE LYS A 36 5.699 9.099 9.426 1.00 0.89 C ATOM 527 NZ LYS A 36 6.523 9.428 10.624 1.00 1.59 N ATOM 0 H LYS A 36 6.793 10.210 3.289 1.00 0.25 H new ATOM 0 HA LYS A 36 4.669 8.800 4.533 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.990 9.318 5.475 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.436 10.951 5.789 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.491 9.976 7.121 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.183 8.382 6.894 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.320 9.195 7.996 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.547 10.739 8.297 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.695 9.507 9.541 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.595 8.018 9.331 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.071 9.035 11.475 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.473 9.018 10.516 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.601 10.461 10.719 1.00 1.59 H new ATOM 541 N MET A 37 4.241 12.045 4.283 1.00 0.28 N ATOM 542 CA MET A 37 3.234 13.133 4.447 1.00 0.30 C ATOM 543 C MET A 37 1.929 12.752 3.758 1.00 0.25 C ATOM 544 O MET A 37 0.873 13.178 4.160 1.00 0.25 O ATOM 545 CB MET A 37 3.787 14.424 3.833 1.00 0.38 C ATOM 546 CG MET A 37 2.859 15.607 4.141 1.00 0.44 C ATOM 547 SD MET A 37 1.406 15.564 3.061 1.00 1.54 S ATOM 548 CE MET A 37 0.745 17.190 3.507 1.00 2.10 C ATOM 0 H MET A 37 5.101 12.325 3.812 1.00 0.28 H new ATOM 0 HA MET A 37 3.036 13.284 5.508 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.783 14.624 4.228 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.889 14.306 2.754 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.546 15.570 5.184 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.396 16.545 4.002 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.172 17.376 2.947 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.529 17.215 4.575 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.479 17.959 3.267 1.00 2.10 H new ATOM 558 N ILE A 38 1.995 11.974 2.717 1.00 0.23 N ATOM 559 CA ILE A 38 0.756 11.579 1.985 1.00 0.25 C ATOM 560 C ILE A 38 0.080 10.374 2.657 1.00 0.26 C ATOM 561 O ILE A 38 -0.922 9.881 2.178 1.00 0.31 O ATOM 562 CB ILE A 38 1.123 11.209 0.547 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.761 12.426 -0.137 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.139 10.778 -0.228 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.575 11.966 -1.339 1.00 0.49 C ATOM 0 H ILE A 38 2.860 11.590 2.336 1.00 0.23 H new ATOM 0 HA ILE A 38 0.061 12.419 1.999 1.00 0.25 H new ATOM 0 HB ILE A 38 1.829 10.379 0.556 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.987 13.125 -0.455 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.401 12.958 0.567 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.133 10.517 -1.251 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.588 9.913 0.260 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.856 11.599 -0.242 1.00 0.35 H new ATOM 0 HD11 ILE A 38 3.028 12.831 -1.824 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.358 11.284 -1.008 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.922 11.454 -2.046 1.00 0.49 H new ATOM 577 N LYS A 39 0.624 9.864 3.734 1.00 0.27 N ATOM 578 CA LYS A 39 -0.014 8.670 4.368 1.00 0.34 C ATOM 579 C LYS A 39 -1.393 8.974 5.003 1.00 0.30 C ATOM 580 O LYS A 39 -2.192 8.072 5.121 1.00 0.33 O ATOM 581 CB LYS A 39 0.906 7.980 5.407 1.00 0.46 C ATOM 582 CG LYS A 39 0.912 8.697 6.780 1.00 0.50 C ATOM 583 CD LYS A 39 1.760 7.917 7.805 1.00 0.65 C ATOM 584 CE LYS A 39 1.342 6.440 7.868 1.00 0.80 C ATOM 585 NZ LYS A 39 1.718 5.872 9.192 1.00 0.75 N ATOM 0 H LYS A 39 1.465 10.214 4.194 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.177 7.978 3.542 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.581 6.948 5.543 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.923 7.945 5.017 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.309 9.706 6.666 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.109 8.796 7.147 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.814 7.988 7.537 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.651 8.370 8.790 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.267 6.349 7.714 1.00 0.80 H new ATOM 0 HE3 LYS A 39 1.827 5.880 7.069 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 1.921 4.857 9.089 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.563 6.360 9.552 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 0.933 6.002 9.861 1.00 0.75 H new ATOM 599 N PRO A 40 -1.698 10.180 5.476 1.00 0.26 N ATOM 600 CA PRO A 40 -3.018 10.400 6.144 1.00 0.25 C ATOM 601 C PRO A 40 -4.199 9.950 5.289 1.00 0.20 C ATOM 602 O PRO A 40 -5.135 9.378 5.787 1.00 0.21 O ATOM 603 CB PRO A 40 -3.012 11.917 6.373 1.00 0.26 C ATOM 604 CG PRO A 40 -1.552 12.364 6.316 1.00 0.28 C ATOM 605 CD PRO A 40 -0.835 11.393 5.376 1.00 0.27 C ATOM 0 HA PRO A 40 -3.138 9.818 7.058 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.602 12.426 5.611 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.455 12.165 7.338 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.474 13.387 5.949 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.102 12.346 7.309 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.782 11.775 4.356 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.188 11.195 5.695 1.00 0.27 H new ATOM 613 N PHE A 41 -4.166 10.179 4.014 1.00 0.16 N ATOM 614 CA PHE A 41 -5.305 9.720 3.185 1.00 0.13 C ATOM 615 C PHE A 41 -5.291 8.187 3.134 1.00 0.13 C ATOM 616 O PHE A 41 -6.293 7.532 3.331 1.00 0.15 O ATOM 617 CB PHE A 41 -5.148 10.290 1.772 1.00 0.14 C ATOM 618 CG PHE A 41 -5.619 11.730 1.738 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.820 12.752 2.266 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.864 12.037 1.177 1.00 0.22 C ATOM 621 CE1 PHE A 41 -5.271 14.079 2.233 1.00 0.34 C ATOM 622 CE2 PHE A 41 -7.314 13.361 1.146 1.00 0.31 C ATOM 623 CZ PHE A 41 -6.518 14.383 1.673 1.00 0.37 C ATOM 0 H PHE A 41 -3.415 10.655 3.515 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.249 10.061 3.610 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.105 10.233 1.462 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.724 9.694 1.064 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.858 12.518 2.698 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.479 11.249 0.767 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.656 14.868 2.640 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -8.276 13.594 0.715 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.865 15.406 1.648 1.00 0.37 H new ATOM 633 N PHE A 42 -4.146 7.614 2.919 1.00 0.12 N ATOM 634 CA PHE A 42 -4.041 6.133 2.878 1.00 0.13 C ATOM 635 C PHE A 42 -4.487 5.545 4.225 1.00 0.14 C ATOM 636 O PHE A 42 -5.347 4.688 4.291 1.00 0.16 O ATOM 637 CB PHE A 42 -2.577 5.782 2.607 1.00 0.13 C ATOM 638 CG PHE A 42 -2.419 4.286 2.558 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.777 3.580 1.405 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.935 3.598 3.682 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.655 2.186 1.374 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.809 2.204 3.646 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.171 1.498 2.494 1.00 0.13 C ATOM 0 H PHE A 42 -3.269 8.112 2.768 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.680 5.720 2.098 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.255 6.223 1.664 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.941 6.200 3.388 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.147 4.110 0.540 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.660 4.143 4.573 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.934 1.640 0.485 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.432 1.674 4.508 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.077 0.422 2.468 1.00 0.13 H new ATOM 653 N HIS A 43 -3.909 6.020 5.297 1.00 0.16 N ATOM 654 CA HIS A 43 -4.274 5.526 6.660 1.00 0.18 C ATOM 655 C HIS A 43 -5.701 5.966 7.035 1.00 0.16 C ATOM 656 O HIS A 43 -6.475 5.196 7.565 1.00 0.16 O ATOM 657 CB HIS A 43 -3.250 6.088 7.667 1.00 0.23 C ATOM 658 CG HIS A 43 -3.574 5.642 9.068 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.016 4.509 9.645 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.444 6.143 9.998 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.564 4.367 10.868 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.439 5.337 11.133 1.00 0.31 N ATOM 0 H HIS A 43 -3.188 6.741 5.286 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.253 4.436 6.677 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.248 5.754 7.397 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.247 7.177 7.619 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.045 7.031 9.870 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.324 3.565 11.550 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -4.987 5.462 11.984 1.00 0.31 H new ATOM 670 N SER A 44 -6.048 7.202 6.777 1.00 0.15 N ATOM 671 CA SER A 44 -7.422 7.695 7.134 1.00 0.15 C ATOM 672 C SER A 44 -8.508 6.892 6.401 1.00 0.13 C ATOM 673 O SER A 44 -9.554 6.610 6.943 1.00 0.15 O ATOM 674 CB SER A 44 -7.584 9.171 6.757 1.00 0.18 C ATOM 675 OG SER A 44 -6.628 9.957 7.457 1.00 0.22 O ATOM 0 H SER A 44 -5.443 7.894 6.335 1.00 0.15 H new ATOM 0 HA SER A 44 -7.536 7.569 8.211 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.454 9.297 5.682 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.592 9.508 6.998 1.00 0.18 H new ATOM 0 HG SER A 44 -5.732 9.774 7.104 1.00 0.22 H new ATOM 681 N LEU A 45 -8.284 6.559 5.157 1.00 0.12 N ATOM 682 CA LEU A 45 -9.325 5.821 4.374 1.00 0.14 C ATOM 683 C LEU A 45 -9.574 4.439 4.966 1.00 0.13 C ATOM 684 O LEU A 45 -10.581 3.816 4.692 1.00 0.15 O ATOM 685 CB LEU A 45 -8.874 5.667 2.926 1.00 0.16 C ATOM 686 CG LEU A 45 -8.923 7.032 2.209 1.00 0.18 C ATOM 687 CD1 LEU A 45 -8.022 6.984 0.973 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.365 7.363 1.773 1.00 0.22 C ATOM 0 H LEU A 45 -7.425 6.765 4.647 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.250 6.396 4.417 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.861 5.266 2.893 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.516 4.953 2.411 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.577 7.804 2.897 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -8.053 7.947 0.462 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.998 6.768 1.277 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.372 6.204 0.297 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.380 8.329 1.269 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.725 6.593 1.091 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -11.011 7.401 2.650 1.00 0.22 H new ATOM 700 N SER A 46 -8.665 3.930 5.742 1.00 0.12 N ATOM 701 CA SER A 46 -8.867 2.574 6.311 1.00 0.12 C ATOM 702 C SER A 46 -10.263 2.510 6.943 1.00 0.14 C ATOM 703 O SER A 46 -10.963 1.526 6.823 1.00 0.16 O ATOM 704 CB SER A 46 -7.793 2.306 7.373 1.00 0.13 C ATOM 705 OG SER A 46 -6.504 2.388 6.770 1.00 0.14 O ATOM 0 H SER A 46 -7.794 4.391 6.006 1.00 0.12 H new ATOM 0 HA SER A 46 -8.787 1.818 5.529 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.876 3.032 8.182 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.939 1.320 7.814 1.00 0.13 H new ATOM 0 HG SER A 46 -6.157 3.300 6.862 1.00 0.14 H new ATOM 711 N GLU A 47 -10.687 3.553 7.605 1.00 0.15 N ATOM 712 CA GLU A 47 -12.049 3.538 8.209 1.00 0.18 C ATOM 713 C GLU A 47 -13.082 3.955 7.153 1.00 0.18 C ATOM 714 O GLU A 47 -14.267 3.774 7.331 1.00 0.21 O ATOM 715 CB GLU A 47 -12.092 4.513 9.387 1.00 0.22 C ATOM 716 CG GLU A 47 -11.178 3.998 10.501 1.00 0.23 C ATOM 717 CD GLU A 47 -11.759 2.712 11.094 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.907 2.415 10.808 1.00 2.16 O ATOM 719 OE2 GLU A 47 -11.045 2.048 11.827 1.00 2.05 O ATOM 0 H GLU A 47 -10.153 4.409 7.753 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.282 2.533 8.562 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.771 5.504 9.066 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -13.113 4.612 9.755 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.180 3.809 10.107 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.076 4.754 11.279 1.00 0.23 H new ATOM 726 N LYS A 48 -12.644 4.507 6.047 1.00 0.17 N ATOM 727 CA LYS A 48 -13.616 4.918 4.996 1.00 0.19 C ATOM 728 C LYS A 48 -14.070 3.656 4.268 1.00 0.18 C ATOM 729 O LYS A 48 -15.218 3.509 3.902 1.00 0.21 O ATOM 730 CB LYS A 48 -12.938 5.887 4.019 1.00 0.20 C ATOM 731 CG LYS A 48 -13.943 6.404 2.979 1.00 0.30 C ATOM 732 CD LYS A 48 -15.000 7.292 3.654 1.00 0.82 C ATOM 733 CE LYS A 48 -15.647 8.214 2.618 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.622 9.147 2.071 1.00 1.78 N ATOM 0 H LYS A 48 -11.664 4.688 5.831 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.475 5.426 5.436 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.512 6.726 4.569 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.112 5.384 3.515 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -13.420 6.971 2.209 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.428 5.563 2.483 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -15.761 6.671 4.126 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.538 7.885 4.443 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -16.083 7.623 1.812 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -16.460 8.778 3.075 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -15.080 10.035 1.782 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.909 9.347 2.802 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.161 8.711 1.247 1.00 1.78 H new ATOM 748 N TYR A 49 -13.162 2.731 4.097 1.00 0.16 N ATOM 749 CA TYR A 49 -13.491 1.428 3.442 1.00 0.17 C ATOM 750 C TYR A 49 -13.051 0.324 4.398 1.00 0.16 C ATOM 751 O TYR A 49 -12.110 -0.401 4.146 1.00 0.16 O ATOM 752 CB TYR A 49 -12.729 1.301 2.113 1.00 0.17 C ATOM 753 CG TYR A 49 -13.191 2.371 1.150 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.425 2.232 0.506 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.396 3.499 0.903 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.867 3.218 -0.384 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.840 4.487 0.013 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.076 4.346 -0.630 1.00 0.21 C ATOM 759 OH TYR A 49 -14.518 5.320 -1.507 1.00 0.25 O ATOM 0 H TYR A 49 -12.189 2.825 4.389 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.558 1.359 3.229 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.657 1.395 2.288 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.896 0.314 1.681 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.037 1.363 0.696 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.442 3.607 1.398 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.819 3.108 -0.881 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.229 5.357 -0.177 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.984 6.133 -1.389 1.00 0.25 H new ATOM 769 N SER A 50 -13.730 0.201 5.508 1.00 0.17 N ATOM 770 CA SER A 50 -13.358 -0.831 6.505 1.00 0.18 C ATOM 771 C SER A 50 -13.559 -2.215 5.891 1.00 0.19 C ATOM 772 O SER A 50 -13.163 -3.220 6.451 1.00 0.21 O ATOM 773 CB SER A 50 -14.216 -0.658 7.760 1.00 0.20 C ATOM 774 OG SER A 50 -15.557 -1.044 7.487 1.00 0.22 O ATOM 0 H SER A 50 -14.531 0.778 5.763 1.00 0.17 H new ATOM 0 HA SER A 50 -12.311 -0.723 6.787 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.813 -1.262 8.573 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.187 0.380 8.090 1.00 0.20 H new ATOM 0 HG SER A 50 -16.100 -0.932 8.295 1.00 0.22 H new ATOM 780 N ASN A 51 -14.147 -2.269 4.726 1.00 0.20 N ATOM 781 CA ASN A 51 -14.351 -3.578 4.046 1.00 0.23 C ATOM 782 C ASN A 51 -13.142 -3.833 3.145 1.00 0.19 C ATOM 783 O ASN A 51 -13.112 -4.760 2.362 1.00 0.22 O ATOM 784 CB ASN A 51 -15.626 -3.520 3.198 1.00 0.32 C ATOM 785 CG ASN A 51 -15.995 -4.926 2.717 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.414 -5.757 3.498 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.862 -5.228 1.453 1.00 0.27 N ATOM 0 H ASN A 51 -14.496 -1.458 4.215 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.453 -4.379 4.778 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.444 -3.100 3.783 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.475 -2.861 2.343 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.110 -6.161 1.123 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.510 -4.531 0.796 1.00 0.27 H new ATOM 794 N VAL A 52 -12.134 -3.006 3.277 1.00 0.21 N ATOM 795 CA VAL A 52 -10.886 -3.158 2.477 1.00 0.17 C ATOM 796 C VAL A 52 -9.702 -3.155 3.448 1.00 0.13 C ATOM 797 O VAL A 52 -9.707 -2.443 4.434 1.00 0.14 O ATOM 798 CB VAL A 52 -10.770 -1.995 1.478 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.350 -1.938 0.898 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.777 -2.201 0.337 1.00 0.24 C ATOM 0 H VAL A 52 -12.127 -2.215 3.921 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.898 -4.090 1.912 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.983 -1.059 1.995 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.278 -1.111 0.192 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.633 -1.789 1.705 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.129 -2.874 0.385 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.696 -1.377 -0.372 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.563 -3.141 -0.172 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.787 -2.231 0.745 1.00 0.24 H new ATOM 810 N ILE A 53 -8.703 -3.961 3.200 1.00 0.11 N ATOM 811 CA ILE A 53 -7.532 -4.021 4.137 1.00 0.09 C ATOM 812 C ILE A 53 -6.381 -3.181 3.579 1.00 0.09 C ATOM 813 O ILE A 53 -5.903 -3.418 2.489 1.00 0.12 O ATOM 814 CB ILE A 53 -7.087 -5.485 4.256 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.298 -6.369 4.591 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.031 -5.635 5.353 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.062 -5.797 5.793 1.00 0.15 C ATOM 0 H ILE A 53 -8.643 -4.581 2.392 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.813 -3.629 5.115 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.656 -5.796 3.304 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.960 -6.432 3.728 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.966 -7.383 4.812 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.726 -6.679 5.424 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.164 -5.020 5.110 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.449 -5.313 6.307 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.917 -6.435 6.018 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.401 -5.758 6.659 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.411 -4.792 5.557 1.00 0.15 H new ATOM 829 N PHE A 54 -5.928 -2.198 4.323 1.00 0.08 N ATOM 830 CA PHE A 54 -4.798 -1.338 3.837 1.00 0.09 C ATOM 831 C PHE A 54 -3.487 -1.773 4.505 1.00 0.09 C ATOM 832 O PHE A 54 -3.398 -1.853 5.714 1.00 0.12 O ATOM 833 CB PHE A 54 -5.063 0.124 4.209 1.00 0.10 C ATOM 834 CG PHE A 54 -6.255 0.659 3.445 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.550 0.261 3.796 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.067 1.568 2.398 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.652 0.773 3.098 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.166 2.076 1.700 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.459 1.679 2.050 1.00 0.10 C ATOM 0 H PHE A 54 -6.291 -1.954 5.244 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.721 -1.444 2.755 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.245 0.205 5.281 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.182 0.727 3.988 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.700 -0.440 4.604 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.068 1.878 2.128 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.652 0.468 3.370 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.016 2.775 0.891 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.309 2.071 1.512 1.00 0.10 H new ATOM 849 N LEU A 55 -2.463 -2.035 3.727 1.00 0.09 N ATOM 850 CA LEU A 55 -1.139 -2.448 4.306 1.00 0.11 C ATOM 851 C LEU A 55 -0.140 -1.316 4.104 1.00 0.10 C ATOM 852 O LEU A 55 -0.099 -0.697 3.061 1.00 0.10 O ATOM 853 CB LEU A 55 -0.565 -3.692 3.587 1.00 0.12 C ATOM 854 CG LEU A 55 -1.294 -4.978 3.993 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.806 -4.788 3.927 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.875 -6.104 3.045 1.00 0.22 C ATOM 0 H LEU A 55 -2.486 -1.981 2.709 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.295 -2.678 5.360 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.644 -3.556 2.508 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.496 -3.788 3.819 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.026 -5.230 5.019 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.302 -5.714 4.219 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.102 -3.988 4.605 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.096 -4.527 2.909 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.388 -7.024 3.324 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.141 -5.837 2.022 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.203 -6.254 3.112 1.00 0.22 H new ATOM 868 N GLU A 56 0.698 -1.077 5.077 1.00 0.12 N ATOM 869 CA GLU A 56 1.739 -0.020 4.937 1.00 0.13 C ATOM 870 C GLU A 56 3.075 -0.736 4.822 1.00 0.13 C ATOM 871 O GLU A 56 3.362 -1.635 5.586 1.00 0.14 O ATOM 872 CB GLU A 56 1.740 0.895 6.161 1.00 0.15 C ATOM 873 CG GLU A 56 2.659 2.086 5.886 1.00 0.17 C ATOM 874 CD GLU A 56 2.737 2.979 7.127 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.728 3.576 7.471 1.00 1.05 O ATOM 876 OE2 GLU A 56 3.804 3.054 7.712 1.00 1.13 O ATOM 0 H GLU A 56 0.705 -1.573 5.968 1.00 0.12 H new ATOM 0 HA GLU A 56 1.546 0.601 4.062 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.728 1.240 6.375 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.083 0.349 7.040 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.655 1.734 5.617 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.283 2.659 5.038 1.00 0.17 H new ATOM 883 N VAL A 57 3.880 -0.380 3.854 1.00 0.12 N ATOM 884 CA VAL A 57 5.190 -1.084 3.667 1.00 0.12 C ATOM 885 C VAL A 57 6.338 -0.074 3.580 1.00 0.11 C ATOM 886 O VAL A 57 6.278 0.898 2.853 1.00 0.13 O ATOM 887 CB VAL A 57 5.119 -1.904 2.381 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.415 -2.689 2.208 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.943 -2.876 2.473 1.00 0.14 C ATOM 0 H VAL A 57 3.690 0.366 3.185 1.00 0.12 H new ATOM 0 HA VAL A 57 5.378 -1.736 4.520 1.00 0.12 H new ATOM 0 HB VAL A 57 4.982 -1.240 1.527 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.366 -3.275 1.290 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.255 -1.997 2.152 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.552 -3.357 3.058 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.886 -3.465 1.558 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.086 -3.541 3.325 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.017 -2.316 2.602 1.00 0.14 H new ATOM 899 N ASP A 58 7.390 -0.312 4.320 1.00 0.10 N ATOM 900 CA ASP A 58 8.567 0.606 4.306 1.00 0.09 C ATOM 901 C ASP A 58 9.607 0.059 3.331 1.00 0.09 C ATOM 902 O ASP A 58 10.112 -1.030 3.506 1.00 0.09 O ATOM 903 CB ASP A 58 9.177 0.635 5.703 1.00 0.10 C ATOM 904 CG ASP A 58 10.223 1.749 5.783 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.103 2.701 5.030 1.00 1.02 O ATOM 906 OD2 ASP A 58 11.123 1.637 6.600 1.00 1.05 O ATOM 0 H ASP A 58 7.484 -1.115 4.942 1.00 0.10 H new ATOM 0 HA ASP A 58 8.260 1.607 4.005 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.398 0.799 6.448 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.637 -0.327 5.930 1.00 0.10 H new ATOM 911 N VAL A 59 9.962 0.794 2.323 1.00 0.09 N ATOM 912 CA VAL A 59 10.986 0.267 1.384 1.00 0.10 C ATOM 913 C VAL A 59 12.321 0.192 2.116 1.00 0.11 C ATOM 914 O VAL A 59 13.228 -0.502 1.707 1.00 0.12 O ATOM 915 CB VAL A 59 11.110 1.188 0.166 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.801 1.156 -0.616 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.388 2.624 0.618 1.00 0.16 C ATOM 0 H VAL A 59 9.597 1.722 2.108 1.00 0.09 H new ATOM 0 HA VAL A 59 10.693 -0.724 1.037 1.00 0.10 H new ATOM 0 HB VAL A 59 11.933 0.845 -0.461 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.880 1.809 -1.485 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.599 0.137 -0.945 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.987 1.499 0.023 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.474 3.270 -0.256 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.569 2.972 1.247 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.319 2.653 1.184 1.00 0.16 H new ATOM 927 N ASP A 60 12.449 0.910 3.203 1.00 0.10 N ATOM 928 CA ASP A 60 13.736 0.891 3.964 1.00 0.12 C ATOM 929 C ASP A 60 13.719 -0.171 5.074 1.00 0.13 C ATOM 930 O ASP A 60 14.675 -0.903 5.239 1.00 0.15 O ATOM 931 CB ASP A 60 13.946 2.273 4.587 1.00 0.14 C ATOM 932 CG ASP A 60 14.506 3.233 3.533 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.344 2.952 2.358 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.102 4.226 3.922 1.00 1.07 O ATOM 0 H ASP A 60 11.721 1.507 3.596 1.00 0.10 H new ATOM 0 HA ASP A 60 14.547 0.643 3.279 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.002 2.655 4.976 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.633 2.202 5.430 1.00 0.14 H new ATOM 939 N ASP A 61 12.656 -0.281 5.825 1.00 0.13 N ATOM 940 CA ASP A 61 12.626 -1.313 6.911 1.00 0.15 C ATOM 941 C ASP A 61 11.963 -2.569 6.358 1.00 0.14 C ATOM 942 O ASP A 61 12.050 -3.637 6.929 1.00 0.19 O ATOM 943 CB ASP A 61 11.826 -0.796 8.108 1.00 0.16 C ATOM 944 CG ASP A 61 12.481 0.483 8.637 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.696 0.573 8.574 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.754 1.351 9.091 1.00 1.01 O ATOM 0 H ASP A 61 11.815 0.290 5.739 1.00 0.13 H new ATOM 0 HA ASP A 61 13.641 -1.532 7.241 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.796 -0.596 7.813 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.792 -1.552 8.892 1.00 0.16 H new ATOM 951 N ALA A 62 11.297 -2.437 5.240 1.00 0.11 N ATOM 952 CA ALA A 62 10.608 -3.600 4.603 1.00 0.12 C ATOM 953 C ALA A 62 11.137 -3.739 3.174 1.00 0.11 C ATOM 954 O ALA A 62 10.403 -4.013 2.246 1.00 0.12 O ATOM 955 CB ALA A 62 9.089 -3.353 4.592 1.00 0.14 C ATOM 0 H ALA A 62 11.200 -1.557 4.733 1.00 0.11 H new ATOM 0 HA ALA A 62 10.803 -4.517 5.160 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.586 -4.201 4.127 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.732 -3.235 5.615 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.872 -2.447 4.026 1.00 0.14 H new ATOM 961 N GLN A 63 12.407 -3.522 2.997 1.00 0.11 N ATOM 962 CA GLN A 63 13.004 -3.601 1.640 1.00 0.12 C ATOM 963 C GLN A 63 12.807 -5.002 1.052 1.00 0.12 C ATOM 964 O GLN A 63 12.762 -5.165 -0.146 1.00 0.14 O ATOM 965 CB GLN A 63 14.496 -3.280 1.733 1.00 0.13 C ATOM 966 CG GLN A 63 15.205 -4.372 2.530 1.00 0.15 C ATOM 967 CD GLN A 63 16.627 -3.912 2.848 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.826 -3.039 3.667 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.629 -4.470 2.229 1.00 1.43 N ATOM 0 H GLN A 63 13.063 -3.291 3.743 1.00 0.11 H new ATOM 0 HA GLN A 63 12.512 -2.881 0.986 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.926 -3.207 0.734 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.641 -2.312 2.213 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.661 -4.579 3.452 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.228 -5.300 1.959 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.459 -5.204 1.541 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.583 -4.173 2.433 1.00 1.43 H new ATOM 978 N ASP A 64 12.683 -6.014 1.870 1.00 0.13 N ATOM 979 CA ASP A 64 12.481 -7.381 1.314 1.00 0.13 C ATOM 980 C ASP A 64 11.147 -7.422 0.570 1.00 0.15 C ATOM 981 O ASP A 64 11.019 -8.042 -0.467 1.00 0.16 O ATOM 982 CB ASP A 64 12.470 -8.413 2.447 1.00 0.17 C ATOM 983 CG ASP A 64 11.512 -7.972 3.550 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.344 -7.823 3.259 1.00 1.02 O ATOM 985 OD2 ASP A 64 11.963 -7.792 4.668 1.00 1.05 O ATOM 0 H ASP A 64 12.713 -5.953 2.888 1.00 0.13 H new ATOM 0 HA ASP A 64 13.295 -7.619 0.630 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.168 -9.386 2.060 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.475 -8.530 2.853 1.00 0.17 H new ATOM 990 N VAL A 65 10.153 -6.755 1.087 1.00 0.17 N ATOM 991 CA VAL A 65 8.828 -6.748 0.412 1.00 0.22 C ATOM 992 C VAL A 65 8.924 -5.932 -0.880 1.00 0.22 C ATOM 993 O VAL A 65 8.409 -6.309 -1.914 1.00 0.26 O ATOM 994 CB VAL A 65 7.800 -6.070 1.326 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.392 -6.391 0.829 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.964 -6.562 2.763 1.00 0.32 C ATOM 0 H VAL A 65 10.203 -6.214 1.950 1.00 0.17 H new ATOM 0 HA VAL A 65 8.529 -7.773 0.194 1.00 0.22 H new ATOM 0 HB VAL A 65 7.960 -4.992 1.305 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.659 -5.910 1.477 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.273 -6.022 -0.190 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.238 -7.470 0.845 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.228 -6.073 3.401 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.814 -7.641 2.797 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.967 -6.324 3.117 1.00 0.32 H new ATOM 1006 N ALA A 66 9.563 -4.797 -0.805 1.00 0.19 N ATOM 1007 CA ALA A 66 9.686 -3.921 -2.000 1.00 0.22 C ATOM 1008 C ALA A 66 10.616 -4.557 -3.031 1.00 0.23 C ATOM 1009 O ALA A 66 10.369 -4.501 -4.219 1.00 0.26 O ATOM 1010 CB ALA A 66 10.239 -2.556 -1.572 1.00 0.25 C ATOM 0 H ALA A 66 10.008 -4.438 0.040 1.00 0.19 H new ATOM 0 HA ALA A 66 8.703 -3.793 -2.452 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.331 -1.910 -2.445 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.561 -2.098 -0.852 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.219 -2.688 -1.114 1.00 0.25 H new ATOM 1016 N SER A 67 11.686 -5.151 -2.593 1.00 0.21 N ATOM 1017 CA SER A 67 12.623 -5.777 -3.563 1.00 0.23 C ATOM 1018 C SER A 67 11.891 -6.876 -4.332 1.00 0.23 C ATOM 1019 O SER A 67 12.139 -7.102 -5.498 1.00 0.24 O ATOM 1020 CB SER A 67 13.807 -6.379 -2.808 1.00 0.23 C ATOM 1021 OG SER A 67 13.333 -7.388 -1.927 1.00 0.22 O ATOM 0 H SER A 67 11.953 -5.231 -1.612 1.00 0.21 H new ATOM 0 HA SER A 67 12.987 -5.024 -4.263 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.526 -6.801 -3.511 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.328 -5.604 -2.246 1.00 0.23 H new ATOM 0 HG SER A 67 12.409 -7.189 -1.669 1.00 0.22 H new ATOM 1027 N GLU A 68 10.973 -7.547 -3.693 1.00 0.23 N ATOM 1028 CA GLU A 68 10.211 -8.616 -4.392 1.00 0.25 C ATOM 1029 C GLU A 68 9.465 -7.996 -5.576 1.00 0.22 C ATOM 1030 O GLU A 68 9.362 -8.580 -6.636 1.00 0.24 O ATOM 1031 CB GLU A 68 9.209 -9.250 -3.413 1.00 0.29 C ATOM 1032 CG GLU A 68 8.526 -10.459 -4.064 1.00 0.32 C ATOM 1033 CD GLU A 68 7.368 -10.934 -3.180 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.146 -10.322 -2.148 1.00 2.06 O ATOM 1035 OE2 GLU A 68 6.725 -11.904 -3.551 1.00 1.96 O ATOM 0 H GLU A 68 10.718 -7.400 -2.716 1.00 0.23 H new ATOM 0 HA GLU A 68 10.891 -9.388 -4.753 1.00 0.25 H new ATOM 0 HB2 GLU A 68 9.724 -9.560 -2.504 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.460 -8.514 -3.120 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.155 -10.191 -5.053 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.246 -11.266 -4.202 1.00 0.32 H new ATOM 1042 N ALA A 69 8.927 -6.821 -5.393 1.00 0.20 N ATOM 1043 CA ALA A 69 8.168 -6.157 -6.492 1.00 0.20 C ATOM 1044 C ALA A 69 9.096 -5.294 -7.354 1.00 0.19 C ATOM 1045 O ALA A 69 8.663 -4.681 -8.310 1.00 0.20 O ATOM 1046 CB ALA A 69 7.090 -5.271 -5.877 1.00 0.23 C ATOM 0 H ALA A 69 8.981 -6.289 -4.524 1.00 0.20 H new ATOM 0 HA ALA A 69 7.721 -6.923 -7.125 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.527 -4.779 -6.670 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.415 -5.882 -5.278 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.557 -4.518 -5.242 1.00 0.23 H new ATOM 1052 N GLU A 70 10.358 -5.225 -7.021 1.00 0.18 N ATOM 1053 CA GLU A 70 11.293 -4.381 -7.823 1.00 0.18 C ATOM 1054 C GLU A 70 10.767 -2.951 -7.884 1.00 0.17 C ATOM 1055 O GLU A 70 10.656 -2.374 -8.946 1.00 0.18 O ATOM 1056 CB GLU A 70 11.435 -4.912 -9.255 1.00 0.22 C ATOM 1057 CG GLU A 70 11.982 -6.334 -9.241 1.00 0.24 C ATOM 1058 CD GLU A 70 13.398 -6.335 -8.660 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.000 -5.274 -8.615 1.00 2.02 O ATOM 1060 OE2 GLU A 70 13.860 -7.396 -8.279 1.00 2.02 O ATOM 0 H GLU A 70 10.781 -5.714 -6.232 1.00 0.18 H new ATOM 0 HA GLU A 70 12.269 -4.410 -7.338 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.466 -4.893 -9.755 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.101 -4.265 -9.826 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.334 -6.978 -8.646 1.00 0.24 H new ATOM 0 HG3 GLU A 70 11.993 -6.740 -10.253 1.00 0.24 H new ATOM 1067 N VAL A 71 10.419 -2.368 -6.771 1.00 0.15 N ATOM 1068 CA VAL A 71 9.876 -0.982 -6.825 1.00 0.14 C ATOM 1069 C VAL A 71 10.940 -0.053 -7.404 1.00 0.14 C ATOM 1070 O VAL A 71 12.076 -0.047 -6.973 1.00 0.16 O ATOM 1071 CB VAL A 71 9.522 -0.508 -5.420 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.799 0.838 -5.515 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.611 -1.540 -4.751 1.00 0.15 C ATOM 0 H VAL A 71 10.485 -2.782 -5.841 1.00 0.15 H new ATOM 0 HA VAL A 71 8.982 -0.970 -7.449 1.00 0.14 H new ATOM 0 HB VAL A 71 10.429 -0.393 -4.827 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.542 1.184 -4.514 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.451 1.568 -5.995 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.889 0.721 -6.103 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.356 -1.203 -3.746 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.699 -1.655 -5.337 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.128 -2.498 -4.693 1.00 0.15 H new ATOM 1083 N LYS A 72 10.577 0.718 -8.397 1.00 0.15 N ATOM 1084 CA LYS A 72 11.556 1.639 -9.032 1.00 0.16 C ATOM 1085 C LYS A 72 11.343 3.072 -8.516 1.00 0.15 C ATOM 1086 O LYS A 72 12.160 3.945 -8.738 1.00 0.16 O ATOM 1087 CB LYS A 72 11.362 1.575 -10.552 1.00 0.19 C ATOM 1088 CG LYS A 72 11.603 0.129 -11.053 1.00 0.23 C ATOM 1089 CD LYS A 72 13.104 -0.162 -11.180 1.00 0.74 C ATOM 1090 CE LYS A 72 13.289 -1.505 -11.896 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.741 -1.797 -12.064 1.00 1.60 N ATOM 0 H LYS A 72 9.638 0.746 -8.795 1.00 0.15 H new ATOM 0 HA LYS A 72 12.574 1.341 -8.780 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.354 1.896 -10.813 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.052 2.260 -11.045 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.148 -0.580 -10.362 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.118 -0.011 -12.019 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.597 0.634 -11.738 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.567 -0.193 -10.194 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.814 -2.301 -11.323 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.800 -1.478 -12.870 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.858 -2.709 -12.550 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.183 -1.044 -12.629 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.196 -1.842 -11.130 1.00 1.60 H new ATOM 1105 N ALA A 73 10.266 3.327 -7.817 1.00 0.13 N ATOM 1106 CA ALA A 73 10.044 4.703 -7.287 1.00 0.13 C ATOM 1107 C ALA A 73 8.976 4.688 -6.189 1.00 0.11 C ATOM 1108 O ALA A 73 8.125 3.829 -6.148 1.00 0.12 O ATOM 1109 CB ALA A 73 9.585 5.623 -8.420 1.00 0.14 C ATOM 0 H ALA A 73 9.538 2.648 -7.593 1.00 0.13 H new ATOM 0 HA ALA A 73 10.981 5.069 -6.868 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.423 6.628 -8.030 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.350 5.654 -9.196 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.654 5.244 -8.842 1.00 0.14 H new ATOM 1115 N THR A 74 9.008 5.665 -5.318 1.00 0.11 N ATOM 1116 CA THR A 74 7.996 5.768 -4.219 1.00 0.11 C ATOM 1117 C THR A 74 7.417 7.191 -4.236 1.00 0.12 C ATOM 1118 O THR A 74 8.090 8.105 -4.656 1.00 0.15 O ATOM 1119 CB THR A 74 8.692 5.511 -2.870 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.565 6.585 -2.579 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.476 4.203 -2.915 1.00 0.14 C ATOM 0 H THR A 74 9.705 6.410 -5.321 1.00 0.11 H new ATOM 0 HA THR A 74 7.200 5.036 -4.358 1.00 0.11 H new ATOM 0 HB THR A 74 7.935 5.434 -2.090 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.007 6.423 -1.720 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.962 4.037 -1.954 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.795 3.378 -3.125 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.232 4.259 -3.698 1.00 0.14 H new ATOM 1129 N PRO A 75 6.202 7.410 -3.759 1.00 0.13 N ATOM 1130 CA PRO A 75 5.310 6.335 -3.226 1.00 0.10 C ATOM 1131 C PRO A 75 4.676 5.477 -4.327 1.00 0.09 C ATOM 1132 O PRO A 75 4.262 5.975 -5.354 1.00 0.10 O ATOM 1133 CB PRO A 75 4.246 7.157 -2.471 1.00 0.12 C ATOM 1134 CG PRO A 75 4.282 8.592 -3.023 1.00 0.15 C ATOM 1135 CD PRO A 75 5.637 8.793 -3.727 1.00 0.16 C ATOM 0 HA PRO A 75 5.842 5.608 -2.612 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.257 6.720 -2.608 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.450 7.154 -1.400 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.461 8.753 -3.722 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.160 9.315 -2.216 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.515 9.203 -4.729 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.280 9.480 -3.177 1.00 0.16 H new ATOM 1143 N THR A 76 4.560 4.190 -4.092 1.00 0.09 N ATOM 1144 CA THR A 76 3.916 3.285 -5.092 1.00 0.09 C ATOM 1145 C THR A 76 2.846 2.466 -4.385 1.00 0.10 C ATOM 1146 O THR A 76 3.061 1.915 -3.323 1.00 0.12 O ATOM 1147 CB THR A 76 4.957 2.357 -5.735 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.942 3.145 -6.386 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.275 1.450 -6.762 1.00 0.13 C ATOM 0 H THR A 76 4.887 3.727 -3.244 1.00 0.09 H new ATOM 0 HA THR A 76 3.466 3.881 -5.886 1.00 0.09 H new ATOM 0 HB THR A 76 5.423 1.743 -4.964 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.765 3.145 -5.854 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.017 0.793 -7.216 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.512 0.849 -6.267 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.810 2.061 -7.535 1.00 0.13 H new ATOM 1157 N PHE A 77 1.681 2.416 -4.960 1.00 0.10 N ATOM 1158 CA PHE A 77 0.553 1.661 -4.343 1.00 0.10 C ATOM 1159 C PHE A 77 0.284 0.407 -5.169 1.00 0.10 C ATOM 1160 O PHE A 77 0.143 0.473 -6.375 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.693 2.545 -4.354 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.410 3.800 -3.568 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.566 3.818 -2.176 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.013 4.951 -4.240 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.300 4.993 -1.457 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.280 6.125 -3.525 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.123 6.149 -2.133 1.00 0.19 C ATOM 0 H PHE A 77 1.456 2.872 -5.844 1.00 0.10 H new ATOM 0 HA PHE A 77 0.803 1.381 -3.320 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.968 2.796 -5.379 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.538 2.011 -3.919 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.891 2.928 -1.657 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.134 4.934 -5.313 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.421 5.009 -0.384 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.607 7.012 -4.047 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.327 7.055 -1.581 1.00 0.19 H new ATOM 1177 N GLN A 78 0.189 -0.736 -4.535 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.086 -2.000 -5.287 1.00 0.09 C ATOM 1179 C GLN A 78 -1.343 -2.634 -4.724 1.00 0.08 C ATOM 1180 O GLN A 78 -1.579 -2.623 -3.533 1.00 0.09 O ATOM 1181 CB GLN A 78 1.088 -2.968 -5.130 1.00 0.09 C ATOM 1182 CG GLN A 78 2.322 -2.405 -5.839 1.00 0.12 C ATOM 1183 CD GLN A 78 3.401 -3.489 -5.907 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.126 -4.606 -6.295 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.619 -3.212 -5.528 1.00 0.29 N ATOM 0 H GLN A 78 0.290 -0.848 -3.526 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.219 -1.776 -6.346 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.304 -3.124 -4.073 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.828 -3.940 -5.549 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.059 -2.073 -6.843 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.698 -1.533 -5.303 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.851 -2.274 -5.202 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.339 -3.934 -5.558 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.162 -3.174 -5.580 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.435 -3.802 -5.119 1.00 0.07 C ATOM 1196 C PHE A 79 -3.344 -5.316 -5.228 1.00 0.07 C ATOM 1197 O PHE A 79 -2.886 -5.849 -6.216 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.568 -3.290 -6.000 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.690 -1.804 -5.782 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.812 -0.928 -6.432 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.663 -1.302 -4.916 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.913 0.450 -6.214 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.761 0.074 -4.695 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.889 0.949 -5.342 1.00 0.12 C ATOM 0 H PHE A 79 -2.005 -3.209 -6.587 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.619 -3.542 -4.077 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.363 -3.506 -7.049 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.503 -3.790 -5.748 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.058 -1.316 -7.101 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.341 -1.978 -4.416 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.240 1.128 -6.717 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.513 0.460 -4.023 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.966 2.013 -5.171 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.799 -6.009 -4.217 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.774 -7.497 -4.232 1.00 0.08 C ATOM 1216 C PHE A 80 -5.171 -8.020 -3.926 1.00 0.09 C ATOM 1217 O PHE A 80 -5.934 -7.400 -3.213 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.776 -8.008 -3.189 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.368 -7.803 -3.697 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.694 -6.589 -3.479 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.732 -8.844 -4.384 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.615 -6.428 -3.951 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.575 -8.679 -4.851 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.250 -7.472 -4.635 1.00 0.15 C ATOM 0 H PHE A 80 -4.192 -5.598 -3.370 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.463 -7.852 -5.214 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.915 -7.478 -2.247 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.952 -9.065 -2.989 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.183 -5.784 -2.950 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.252 -9.775 -4.553 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.136 -5.496 -3.787 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.065 -9.484 -5.379 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.260 -7.346 -4.996 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.516 -9.155 -4.463 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.870 -9.719 -4.214 1.00 0.12 C ATOM 1236 C LYS A 81 -6.741 -11.236 -4.171 1.00 0.11 C ATOM 1237 O LYS A 81 -6.281 -11.842 -5.114 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.798 -9.311 -5.364 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.249 -9.579 -4.962 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.183 -9.356 -6.158 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.422 -7.857 -6.364 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.469 -7.670 -7.404 1.00 1.68 N ATOM 0 H LYS A 81 -4.916 -9.718 -5.066 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.281 -9.349 -3.275 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.663 -8.255 -5.599 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.548 -9.872 -6.265 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.350 -10.602 -4.599 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.534 -8.920 -4.142 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.746 -9.790 -7.057 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.132 -9.864 -5.988 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.735 -7.394 -5.428 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.497 -7.367 -6.669 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.637 -6.654 -7.549 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.152 -8.100 -8.297 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.351 -8.126 -7.094 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.102 -11.846 -3.076 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.956 -13.322 -2.976 1.00 0.13 C ATOM 1258 C LYS A 82 -5.473 -13.656 -3.171 1.00 0.13 C ATOM 1259 O LYS A 82 -5.112 -14.701 -3.678 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.827 -14.030 -4.034 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.306 -13.700 -3.800 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.126 -14.081 -5.039 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.621 -13.897 -4.756 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.085 -14.972 -3.834 1.00 1.22 N ATOM 0 H LYS A 82 -7.490 -11.388 -2.251 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.294 -13.672 -2.001 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.529 -13.714 -5.034 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.673 -15.108 -3.982 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.675 -14.240 -2.928 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.422 -12.637 -3.589 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.829 -13.462 -5.886 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.924 -15.116 -5.314 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.801 -12.918 -4.311 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.186 -13.932 -5.687 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.971 -14.678 -3.376 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.248 -15.846 -4.374 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.360 -15.144 -3.108 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.613 -12.751 -2.765 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.144 -12.962 -2.908 1.00 0.16 C ATOM 1280 C GLY A 83 -2.732 -12.740 -4.363 1.00 0.16 C ATOM 1281 O GLY A 83 -1.656 -13.129 -4.767 1.00 0.23 O ATOM 0 H GLY A 83 -4.875 -11.864 -2.335 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.603 -12.275 -2.258 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.880 -13.972 -2.595 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.580 -12.117 -5.156 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.236 -11.879 -6.601 1.00 0.15 C ATOM 1287 C GLN A 84 -3.094 -10.378 -6.881 1.00 0.12 C ATOM 1288 O GLN A 84 -3.949 -9.599 -6.538 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.364 -12.425 -7.493 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.608 -13.912 -7.206 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.388 -14.737 -7.614 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.410 -15.420 -8.619 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.322 -14.707 -6.871 1.00 2.07 N ATOM 0 H GLN A 84 -4.492 -11.764 -4.866 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.294 -12.384 -6.816 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.280 -11.860 -7.317 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.103 -12.290 -8.543 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.815 -14.056 -6.145 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.487 -14.255 -7.752 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.304 -14.134 -6.028 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.503 -15.257 -7.131 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.032 -9.976 -7.537 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.840 -8.525 -7.874 1.00 0.12 C ATOM 1304 C LYS A 85 -2.721 -8.174 -9.073 1.00 0.14 C ATOM 1305 O LYS A 85 -2.583 -8.751 -10.135 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.372 -8.301 -8.250 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.105 -6.815 -8.507 1.00 0.20 C ATOM 1308 CD LYS A 85 1.324 -6.649 -9.026 1.00 0.28 C ATOM 1309 CE LYS A 85 1.661 -5.163 -9.152 1.00 1.28 C ATOM 1310 NZ LYS A 85 3.066 -5.017 -9.627 1.00 1.82 N ATOM 0 H LYS A 85 -1.285 -10.592 -7.856 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.109 -7.901 -7.022 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.274 -8.659 -7.448 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.126 -8.880 -9.140 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.817 -6.425 -9.234 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.241 -6.244 -7.589 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.026 -7.134 -8.347 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.428 -7.138 -9.995 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.977 -4.681 -9.850 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.537 -4.667 -8.189 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.300 -4.007 -9.714 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.711 -5.464 -8.945 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.169 -5.477 -10.554 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.632 -7.238 -8.912 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.539 -6.847 -10.043 1.00 0.18 C ATOM 1326 C VAL A 86 -4.424 -5.353 -10.347 1.00 0.17 C ATOM 1327 O VAL A 86 -5.236 -4.805 -11.065 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.990 -7.169 -9.671 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.156 -8.680 -9.513 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.353 -6.485 -8.348 1.00 0.26 C ATOM 0 H VAL A 86 -3.786 -6.727 -8.043 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.242 -7.409 -10.928 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.647 -6.806 -10.461 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.189 -8.907 -9.248 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.905 -9.174 -10.452 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.493 -9.039 -8.726 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.386 -6.718 -8.089 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.692 -6.844 -7.559 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.240 -5.406 -8.453 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.443 -4.676 -9.819 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.339 -3.221 -10.125 1.00 0.17 C ATOM 1342 C GLY A 87 -2.150 -2.592 -9.398 1.00 0.12 C ATOM 1343 O GLY A 87 -1.753 -3.022 -8.334 1.00 0.17 O ATOM 0 H GLY A 87 -2.724 -5.055 -9.203 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.229 -3.079 -11.200 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.259 -2.717 -9.829 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.595 -1.560 -9.974 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.439 -0.860 -9.348 1.00 0.13 C ATOM 1349 C GLU A 88 -0.256 0.490 -10.010 1.00 0.11 C ATOM 1350 O GLU A 88 -0.513 0.657 -11.186 1.00 0.14 O ATOM 1351 CB GLU A 88 0.845 -1.697 -9.516 1.00 0.21 C ATOM 1352 CG GLU A 88 2.091 -0.870 -9.142 1.00 0.58 C ATOM 1353 CD GLU A 88 2.478 0.070 -10.293 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.944 -0.097 -11.377 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.293 0.948 -10.066 1.00 1.87 O ATOM 0 H GLU A 88 -1.899 -1.167 -10.865 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.634 -0.726 -8.284 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.790 -2.585 -8.887 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.928 -2.041 -10.547 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.892 -0.289 -8.241 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.922 -1.537 -8.914 1.00 0.58 H new ATOM 1362 N PHE A 89 0.233 1.444 -9.278 1.00 0.10 N ATOM 1363 CA PHE A 89 0.482 2.771 -9.895 1.00 0.09 C ATOM 1364 C PHE A 89 1.401 3.585 -8.989 1.00 0.10 C ATOM 1365 O PHE A 89 1.539 3.308 -7.813 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.839 3.510 -10.127 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.411 4.064 -8.835 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.894 5.256 -8.313 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.470 3.420 -8.186 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.437 5.809 -7.144 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.008 3.968 -7.011 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.494 5.163 -6.492 1.00 0.14 C ATOM 0 H PHE A 89 0.470 1.366 -8.289 1.00 0.10 H new ATOM 0 HA PHE A 89 0.965 2.633 -10.863 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.680 4.325 -10.833 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.560 2.831 -10.582 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.074 5.751 -8.812 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.873 2.502 -8.589 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.040 6.732 -6.747 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.820 3.467 -6.506 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.912 5.585 -5.590 1.00 0.14 H new ATOM 1382 N SER A 90 2.034 4.586 -9.542 1.00 0.10 N ATOM 1383 CA SER A 90 2.965 5.451 -8.750 1.00 0.10 C ATOM 1384 C SER A 90 2.567 6.909 -8.904 1.00 0.09 C ATOM 1385 O SER A 90 1.862 7.281 -9.821 1.00 0.11 O ATOM 1386 CB SER A 90 4.402 5.300 -9.247 1.00 0.11 C ATOM 1387 OG SER A 90 4.469 5.680 -10.615 1.00 0.12 O ATOM 0 H SER A 90 1.945 4.847 -10.524 1.00 0.10 H new ATOM 0 HA SER A 90 2.903 5.142 -7.707 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.072 5.921 -8.652 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.734 4.269 -9.128 1.00 0.11 H new ATOM 0 HG SER A 90 5.390 5.586 -10.936 1.00 0.12 H new ATOM 1393 N GLY A 91 3.032 7.737 -8.007 1.00 0.09 N ATOM 1394 CA GLY A 91 2.719 9.195 -8.068 1.00 0.09 C ATOM 1395 C GLY A 91 2.054 9.630 -6.763 1.00 0.10 C ATOM 1396 O GLY A 91 1.253 8.913 -6.197 1.00 0.12 O ATOM 0 H GLY A 91 3.624 7.461 -7.223 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.632 9.767 -8.231 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.059 9.401 -8.911 1.00 0.09 H new ATOM 1400 N ALA A 92 2.382 10.796 -6.275 1.00 0.11 N ATOM 1401 CA ALA A 92 1.772 11.265 -5.000 1.00 0.14 C ATOM 1402 C ALA A 92 0.331 11.729 -5.250 1.00 0.13 C ATOM 1403 O ALA A 92 0.010 12.893 -5.099 1.00 0.17 O ATOM 1404 CB ALA A 92 2.603 12.434 -4.453 1.00 0.18 C ATOM 0 H ALA A 92 3.045 11.442 -6.704 1.00 0.11 H new ATOM 0 HA ALA A 92 1.759 10.449 -4.278 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.165 12.786 -3.519 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.625 12.101 -4.272 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.610 13.247 -5.179 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.547 10.813 -5.607 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.987 11.173 -5.842 1.00 0.14 C ATOM 1412 C ASN A 93 -2.878 10.377 -4.879 1.00 0.13 C ATOM 1413 O ASN A 93 -3.258 9.257 -5.153 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.384 10.839 -7.280 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.767 11.434 -7.564 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.333 11.213 -8.616 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.341 12.184 -6.660 1.00 0.75 N ATOM 0 H ASN A 93 -0.325 9.827 -5.746 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.116 12.242 -5.671 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.650 11.243 -7.977 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.401 9.759 -7.425 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.263 12.583 -6.838 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.867 12.370 -5.776 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.214 10.945 -3.755 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.076 10.221 -2.768 1.00 0.15 C ATOM 1426 C LYS A 94 -5.494 10.001 -3.313 1.00 0.15 C ATOM 1427 O LYS A 94 -6.136 9.020 -2.999 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.150 11.060 -1.483 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.580 12.521 -1.798 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.374 13.471 -1.718 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.064 13.824 -0.260 1.00 0.59 C ATOM 1432 NZ LYS A 94 -1.701 14.419 -0.183 1.00 1.06 N ATOM 0 H LYS A 94 -2.930 11.883 -3.473 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.638 9.242 -2.571 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.860 10.609 -0.790 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.179 11.061 -0.988 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.022 12.569 -2.793 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.348 12.840 -1.093 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -2.504 13.003 -2.178 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -3.582 14.380 -2.282 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -3.804 14.527 0.122 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -3.121 12.932 0.363 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -1.402 14.473 0.811 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -1.032 13.825 -0.714 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -1.716 15.375 -0.593 1.00 1.06 H new ATOM 1446 N GLU A 95 -5.993 10.888 -4.126 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.370 10.706 -4.666 1.00 0.15 C ATOM 1448 C GLU A 95 -7.411 9.478 -5.579 1.00 0.15 C ATOM 1449 O GLU A 95 -8.422 8.821 -5.714 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.762 11.955 -5.461 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.776 13.171 -4.529 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.891 13.015 -3.493 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.981 12.625 -3.880 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.638 13.287 -2.332 1.00 1.61 O ATOM 0 H GLU A 95 -5.509 11.729 -4.440 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.070 10.558 -3.844 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.057 12.116 -6.276 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.745 11.818 -5.912 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.813 13.269 -4.028 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.929 14.082 -5.107 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.319 9.187 -6.217 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.257 8.024 -7.142 1.00 0.15 C ATOM 1463 C LYS A 96 -6.569 6.739 -6.380 1.00 0.14 C ATOM 1464 O LYS A 96 -7.173 5.821 -6.899 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.846 7.969 -7.709 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.765 6.994 -8.888 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.497 7.296 -9.697 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.449 6.402 -10.938 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.257 6.762 -11.759 1.00 1.45 N ATOM 0 H LYS A 96 -5.449 9.714 -6.137 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.987 8.127 -7.945 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.542 8.964 -8.034 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.149 7.661 -6.930 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.745 5.966 -8.526 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.648 7.093 -9.520 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.484 8.345 -9.993 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.613 7.128 -9.082 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.399 5.354 -10.643 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.359 6.525 -11.524 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.221 6.156 -12.604 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.324 7.758 -12.050 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.393 6.623 -11.197 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.168 6.674 -5.147 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.445 5.466 -4.333 1.00 0.13 C ATOM 1485 C LEU A 97 -7.953 5.263 -4.258 1.00 0.14 C ATOM 1486 O LEU A 97 -8.457 4.159 -4.294 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.932 5.712 -2.913 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.412 5.561 -2.853 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.927 6.032 -1.478 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.012 4.085 -3.080 1.00 0.19 C ATOM 0 H LEU A 97 -5.656 7.412 -4.664 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.962 4.595 -4.776 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.216 6.713 -2.587 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.400 5.008 -2.225 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.951 6.164 -3.635 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.843 5.930 -1.420 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.202 7.077 -1.334 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.391 5.424 -0.701 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.927 3.991 -3.035 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.463 3.463 -2.307 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.364 3.759 -4.059 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.664 6.339 -4.133 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.147 6.246 -4.017 1.00 0.15 C ATOM 1504 C GLU A 98 -10.743 5.630 -5.283 1.00 0.16 C ATOM 1505 O GLU A 98 -11.611 4.782 -5.221 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.714 7.661 -3.809 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.228 7.600 -3.587 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.783 9.023 -3.476 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.999 9.953 -3.571 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -13.982 9.158 -3.294 1.00 2.00 O ATOM 0 H GLU A 98 -8.286 7.286 -4.105 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.407 5.610 -3.171 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.233 8.131 -2.951 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.492 8.280 -4.678 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.707 7.074 -4.413 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.451 7.039 -2.680 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.291 6.051 -6.430 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.854 5.496 -7.697 1.00 0.17 C ATOM 1519 C ALA A 99 -10.425 4.043 -7.908 1.00 0.16 C ATOM 1520 O ALA A 99 -11.214 3.213 -8.315 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.381 6.331 -8.884 1.00 0.19 C ATOM 0 H ALA A 99 -9.560 6.752 -6.548 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.941 5.531 -7.622 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.795 5.921 -9.805 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.717 7.361 -8.762 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.292 6.308 -8.934 1.00 0.19 H new ATOM 1527 N THR A 100 -9.183 3.727 -7.667 1.00 0.16 N ATOM 1528 CA THR A 100 -8.726 2.327 -7.890 1.00 0.16 C ATOM 1529 C THR A 100 -9.461 1.404 -6.917 1.00 0.15 C ATOM 1530 O THR A 100 -9.898 0.329 -7.276 1.00 0.15 O ATOM 1531 CB THR A 100 -7.217 2.235 -7.674 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.571 3.258 -8.421 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.722 0.868 -8.150 1.00 0.20 C ATOM 0 H THR A 100 -8.469 4.372 -7.328 1.00 0.16 H new ATOM 0 HA THR A 100 -8.947 2.022 -8.913 1.00 0.16 H new ATOM 0 HB THR A 100 -6.989 2.358 -6.615 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.627 4.105 -7.932 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.645 0.798 -7.998 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.221 0.083 -7.582 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.947 0.748 -9.210 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.636 1.833 -5.696 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.385 0.995 -4.715 1.00 0.13 C ATOM 1543 C ILE A 101 -11.786 0.819 -5.267 1.00 0.14 C ATOM 1544 O ILE A 101 -12.319 -0.265 -5.315 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.449 1.719 -3.359 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.056 1.727 -2.715 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.439 1.013 -2.425 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.985 2.816 -1.640 1.00 0.16 C ATOM 0 H ILE A 101 -9.294 2.724 -5.336 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.897 0.031 -4.567 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.785 2.743 -3.522 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.844 0.753 -2.273 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.295 1.904 -3.475 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.474 1.536 -1.469 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.431 1.016 -2.877 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.117 -0.016 -2.264 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.994 2.816 -1.187 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.177 3.788 -2.094 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.734 2.620 -0.873 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.366 1.893 -5.717 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.721 1.825 -6.310 1.00 0.20 C ATOM 1562 C ASN A 102 -13.680 0.899 -7.522 1.00 0.19 C ATOM 1563 O ASN A 102 -14.621 0.198 -7.822 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.164 3.226 -6.737 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.638 3.185 -7.136 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -15.969 3.242 -8.305 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.538 3.065 -6.205 1.00 0.55 N ATOM 0 H ASN A 102 -11.952 2.825 -5.698 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.431 1.439 -5.578 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.015 3.932 -5.920 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.558 3.573 -7.574 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.526 3.018 -6.454 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.256 3.018 -5.226 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.598 0.927 -8.239 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.476 0.082 -9.452 1.00 0.18 C ATOM 1576 C GLU A 103 -12.399 -1.402 -9.057 1.00 0.16 C ATOM 1577 O GLU A 103 -12.956 -2.257 -9.717 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.195 0.488 -10.184 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.204 -0.061 -11.616 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.108 -1.587 -11.599 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.279 -2.095 -10.871 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -11.864 -2.220 -12.321 1.00 2.04 O ATOM 0 H GLU A 103 -11.784 1.506 -8.034 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.345 0.222 -10.095 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.108 1.574 -10.204 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.325 0.109 -9.647 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.117 0.247 -12.125 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.369 0.357 -12.178 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.686 -1.718 -7.999 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.543 -3.153 -7.575 1.00 0.14 C ATOM 1591 C LEU A 104 -12.509 -3.505 -6.434 1.00 0.13 C ATOM 1592 O LEU A 104 -12.523 -4.625 -5.963 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.106 -3.402 -7.098 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.117 -3.226 -8.258 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.692 -3.195 -7.702 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.249 -4.389 -9.261 1.00 0.25 C ATOM 0 H LEU A 104 -11.196 -1.045 -7.410 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.780 -3.780 -8.434 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -9.859 -2.710 -6.293 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.021 -4.409 -6.690 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.339 -2.292 -8.774 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -6.984 -3.070 -8.522 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.591 -2.363 -7.006 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.484 -4.130 -7.182 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.540 -4.248 -10.077 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.037 -5.331 -8.755 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.263 -4.411 -9.661 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.306 -2.581 -5.974 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.240 -2.919 -4.855 1.00 0.15 C ATOM 1610 C VAL A 105 -15.274 -3.943 -5.337 1.00 0.16 C ATOM 1611 O VAL A 105 -15.752 -3.797 -6.450 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.962 -1.655 -4.372 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -15.990 -1.195 -5.416 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.674 -1.957 -3.052 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.568 -4.856 -4.582 1.00 1.08 O ATOM 0 H VAL A 105 -13.354 -1.621 -6.315 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.665 -3.341 -4.030 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.231 -0.860 -4.227 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.494 -0.297 -5.059 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.482 -0.977 -6.355 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.725 -1.984 -5.576 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.189 -1.062 -2.703 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.399 -2.757 -3.204 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.942 -2.268 -2.307 1.00 0.19 H new ATOM 1683 N LYS B 63 6.985 15.035 -6.172 1.00 0.19 N ATOM 1684 CA LYS B 63 5.843 14.088 -6.050 1.00 0.14 C ATOM 1685 C LYS B 63 6.377 12.650 -5.950 1.00 0.12 C ATOM 1686 O LYS B 63 5.662 11.743 -5.569 1.00 0.12 O ATOM 1687 CB LYS B 63 4.961 14.209 -7.302 1.00 0.17 C ATOM 1688 CG LYS B 63 4.445 15.648 -7.470 1.00 0.20 C ATOM 1689 CD LYS B 63 3.482 16.014 -6.337 1.00 0.40 C ATOM 1690 CE LYS B 63 2.737 17.299 -6.699 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.710 18.425 -6.781 1.00 1.31 N ATOM 0 HA LYS B 63 5.263 14.325 -5.158 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.532 13.917 -8.184 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.118 13.522 -7.226 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.285 16.342 -7.478 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.939 15.748 -8.430 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.772 15.203 -6.172 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.033 16.150 -5.406 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.222 17.178 -7.652 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.975 17.515 -5.950 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 3.195 19.329 -6.790 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.345 18.396 -5.958 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 4.270 18.337 -7.653 1.00 1.31 H new ATOM 1705 N ILE B 64 7.620 12.441 -6.321 1.00 0.11 N ATOM 1706 CA ILE B 64 8.238 11.064 -6.280 1.00 0.11 C ATOM 1707 C ILE B 64 9.582 11.116 -5.528 1.00 0.10 C ATOM 1708 O ILE B 64 10.350 12.040 -5.699 1.00 0.11 O ATOM 1709 CB ILE B 64 8.515 10.592 -7.721 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.202 10.353 -8.485 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.335 9.298 -7.720 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.332 9.306 -7.767 1.00 0.15 C ATOM 0 H ILE B 64 8.245 13.174 -6.656 1.00 0.11 H new ATOM 0 HA ILE B 64 7.553 10.383 -5.775 1.00 0.11 H new ATOM 0 HB ILE B 64 9.081 11.380 -8.219 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.652 11.290 -8.573 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.422 10.016 -9.498 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.519 8.983 -8.747 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.287 9.471 -7.218 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.784 8.518 -7.195 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.409 9.154 -8.327 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.876 8.364 -7.702 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.094 9.657 -6.763 1.00 0.15 H new ATOM 1724 N CYS B 65 9.892 10.115 -4.731 1.00 0.09 N ATOM 1725 CA CYS B 65 11.215 10.090 -4.023 1.00 0.10 C ATOM 1726 C CYS B 65 12.123 9.139 -4.821 1.00 0.10 C ATOM 1727 O CYS B 65 11.739 8.031 -5.138 1.00 0.11 O ATOM 1728 CB CYS B 65 11.064 9.564 -2.582 1.00 0.10 C ATOM 1729 SG CYS B 65 9.825 10.521 -1.665 1.00 0.19 S ATOM 0 H CYS B 65 9.286 9.317 -4.541 1.00 0.09 H new ATOM 0 HA CYS B 65 11.630 11.096 -3.964 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.774 8.513 -2.603 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.024 9.619 -2.069 1.00 0.10 H new ATOM 1734 N SER B 66 13.306 9.566 -5.184 1.00 0.12 N ATOM 1735 CA SER B 66 14.203 8.679 -6.002 1.00 0.14 C ATOM 1736 C SER B 66 14.966 7.676 -5.123 1.00 0.14 C ATOM 1737 O SER B 66 15.386 7.981 -4.026 1.00 0.15 O ATOM 1738 CB SER B 66 15.208 9.540 -6.769 1.00 0.18 C ATOM 1739 OG SER B 66 14.509 10.387 -7.671 1.00 0.20 O ATOM 0 H SER B 66 13.691 10.482 -4.954 1.00 0.12 H new ATOM 0 HA SER B 66 13.576 8.116 -6.694 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.797 10.138 -6.074 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.906 8.905 -7.315 1.00 0.18 H new ATOM 0 HG SER B 66 15.150 10.941 -8.163 1.00 0.20 H new ATOM 1745 N TRP B 67 15.150 6.474 -5.620 1.00 0.15 N ATOM 1746 CA TRP B 67 15.887 5.422 -4.852 1.00 0.16 C ATOM 1747 C TRP B 67 17.387 5.710 -4.911 1.00 0.19 C ATOM 1748 O TRP B 67 18.168 5.146 -4.169 1.00 0.21 O ATOM 1749 CB TRP B 67 15.607 4.043 -5.461 1.00 0.16 C ATOM 1750 CG TRP B 67 14.187 3.683 -5.176 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.122 4.397 -5.590 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.655 2.559 -4.416 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.974 3.787 -5.137 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.251 2.657 -4.401 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.244 1.479 -3.743 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.464 1.724 -3.740 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.453 0.533 -3.079 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.064 0.660 -3.074 1.00 0.16 C ATOM 0 H TRP B 67 14.816 6.176 -6.536 1.00 0.15 H new ATOM 0 HA TRP B 67 15.552 5.431 -3.815 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.786 4.060 -6.536 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.280 3.297 -5.037 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.162 5.300 -6.181 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.032 4.131 -5.324 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.319 1.376 -3.737 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.389 1.824 -3.743 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.920 -0.297 -2.569 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.456 -0.066 -2.554 1.00 0.16 H new ATOM 1769 N ASN B 68 17.796 6.591 -5.785 1.00 0.23 N ATOM 1770 CA ASN B 68 19.246 6.917 -5.888 1.00 0.27 C ATOM 1771 C ASN B 68 19.728 7.344 -4.508 1.00 0.26 C ATOM 1772 O ASN B 68 20.911 7.468 -4.256 1.00 0.30 O ATOM 1773 CB ASN B 68 19.453 8.078 -6.869 1.00 0.34 C ATOM 1774 CG ASN B 68 19.160 7.618 -8.303 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.366 8.361 -9.241 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.687 6.422 -8.513 1.00 0.40 N ATOM 0 H ASN B 68 17.189 7.097 -6.430 1.00 0.23 H new ATOM 0 HA ASN B 68 19.800 6.048 -6.244 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.798 8.908 -6.605 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.477 8.445 -6.799 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.490 6.111 -9.464 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.513 5.797 -7.726 1.00 0.40 H new