USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 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+ 161:sc= -0.045 (180deg=-0.408) USER MOD Single : A 4 GLN : amide:sc= -0.832! C(o=-0.83!,f=-2.1!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.003 USER MOD Single : A 8 LYS NZ :NH3+ 136:sc= -3.59! (180deg=-6.1!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.25) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 139:sc= 1.1 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.164 (180deg=-0.804) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= 0.443 (180deg=0.0114) USER MOD Single : A 43 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.012) USER MOD Single : A 44 SER OG : rot 70:sc= 0.873 USER MOD Single : A 46 SER OG : rot -34:sc= 0.324 USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -2.83! (180deg=-5.21!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.19) USER MOD Single : A 63 GLN :FLIP amide:sc= -4.09! C(o=-10!,f=-4.1!) USER MOD Single : A 67 SER OG : rot -73:sc= 0.33 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 76 THR OG1 : rot 98:sc= 0.392 USER MOD Single : A 78 GLN : amide:sc= -0.686 K(o=-0.69,f=-1.6) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.49 F(o=-3.5!,f=-0.49) USER MOD Single : A 85 LYS NZ :NH3+ -111:sc= -1.8 (180deg=-4.73!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.733 K(o=-0.73,f=-9.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= -1.01 (180deg=-1.42) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.683 K(o=-0.68,f=-2.4!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.128 F(o=-2.4!,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.498 -2.459 8.857 1.00 0.20 N ATOM 37 CA LYS A 3 -1.442 -3.433 9.282 1.00 0.18 C ATOM 38 C LYS A 3 -0.094 -2.988 8.704 1.00 0.15 C ATOM 39 O LYS A 3 0.028 -2.748 7.520 1.00 0.16 O ATOM 40 CB LYS A 3 -1.797 -4.823 8.726 1.00 0.19 C ATOM 41 CG LYS A 3 -0.811 -5.891 9.235 1.00 0.20 C ATOM 42 CD LYS A 3 -1.224 -6.371 10.629 1.00 0.81 C ATOM 43 CE LYS A 3 -0.284 -7.491 11.081 1.00 1.03 C ATOM 44 NZ LYS A 3 1.098 -6.951 11.215 1.00 1.67 N ATOM 0 HA LYS A 3 -1.382 -3.472 10.370 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.811 -5.089 9.023 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.780 -4.798 7.636 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.788 -6.734 8.544 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.198 -5.479 9.268 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.187 -5.543 11.337 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.253 -6.730 10.612 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.620 -7.901 12.033 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.299 -8.307 10.359 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 1.663 -7.588 11.812 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 1.535 -6.879 10.274 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 1.061 -6.008 11.652 1.00 1.67 H new ATOM 58 N GLN A 4 0.929 -2.903 9.523 1.00 0.15 N ATOM 59 CA GLN A 4 2.274 -2.506 9.003 1.00 0.14 C ATOM 60 C GLN A 4 3.067 -3.779 8.746 1.00 0.12 C ATOM 61 O GLN A 4 3.241 -4.598 9.627 1.00 0.13 O ATOM 62 CB GLN A 4 3.017 -1.649 10.038 1.00 0.16 C ATOM 63 CG GLN A 4 4.374 -1.208 9.463 1.00 0.17 C ATOM 64 CD GLN A 4 5.120 -0.352 10.491 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.630 -0.127 11.580 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.291 0.143 10.182 1.00 0.31 N ATOM 0 H GLN A 4 0.889 -3.091 10.525 1.00 0.15 H new ATOM 0 HA GLN A 4 2.161 -1.923 8.089 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.419 -0.775 10.298 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.167 -2.217 10.956 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.971 -2.082 9.203 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.223 -0.641 8.545 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.700 -0.047 9.267 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.795 0.719 10.856 1.00 0.31 H new ATOM 75 N ILE A 5 3.555 -3.957 7.550 1.00 0.10 N ATOM 76 CA ILE A 5 4.342 -5.181 7.234 1.00 0.10 C ATOM 77 C ILE A 5 5.823 -4.828 7.232 1.00 0.10 C ATOM 78 O ILE A 5 6.283 -4.065 6.406 1.00 0.11 O ATOM 79 CB ILE A 5 3.949 -5.679 5.844 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.415 -5.809 5.764 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.639 -7.035 5.550 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.897 -6.687 6.906 1.00 0.19 C ATOM 0 H ILE A 5 3.442 -3.304 6.775 1.00 0.10 H new ATOM 0 HA ILE A 5 4.143 -5.954 7.976 1.00 0.10 H new ATOM 0 HB ILE A 5 4.279 -4.964 5.090 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.956 -4.822 5.818 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.129 -6.241 4.805 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.352 -7.381 4.557 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.721 -6.909 5.592 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.330 -7.769 6.294 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.812 -6.770 6.838 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.343 -7.679 6.833 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.167 -6.237 7.862 1.00 0.19 H new ATOM 94 N GLU A 6 6.580 -5.379 8.142 1.00 0.11 N ATOM 95 CA GLU A 6 8.038 -5.075 8.189 1.00 0.13 C ATOM 96 C GLU A 6 8.811 -6.205 7.511 1.00 0.12 C ATOM 97 O GLU A 6 10.021 -6.166 7.400 1.00 0.13 O ATOM 98 CB GLU A 6 8.480 -4.969 9.649 1.00 0.15 C ATOM 99 CG GLU A 6 7.698 -3.855 10.347 1.00 0.17 C ATOM 100 CD GLU A 6 8.192 -2.492 9.857 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.303 -2.127 10.206 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.453 -1.837 9.142 1.00 2.25 O ATOM 0 H GLU A 6 6.250 -6.028 8.856 1.00 0.11 H new ATOM 0 HA GLU A 6 8.235 -4.135 7.674 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.313 -5.918 10.159 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.549 -4.763 9.701 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.633 -3.962 10.142 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.824 -3.931 11.427 1.00 0.17 H new ATOM 109 N SER A 7 8.122 -7.218 7.052 1.00 0.12 N ATOM 110 CA SER A 7 8.822 -8.360 6.385 1.00 0.13 C ATOM 111 C SER A 7 7.929 -9.009 5.334 1.00 0.12 C ATOM 112 O SER A 7 6.720 -9.000 5.437 1.00 0.12 O ATOM 113 CB SER A 7 9.169 -9.417 7.429 1.00 0.15 C ATOM 114 OG SER A 7 7.968 -9.866 8.046 1.00 0.15 O ATOM 0 H SER A 7 7.107 -7.305 7.109 1.00 0.12 H new ATOM 0 HA SER A 7 9.721 -7.973 5.906 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.688 -10.253 6.961 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.844 -9.001 8.177 1.00 0.15 H new ATOM 0 HG SER A 7 8.180 -10.547 8.718 1.00 0.15 H new ATOM 120 N LYS A 8 8.528 -9.602 4.339 1.00 0.14 N ATOM 121 CA LYS A 8 7.732 -10.291 3.290 1.00 0.15 C ATOM 122 C LYS A 8 6.964 -11.438 3.939 1.00 0.15 C ATOM 123 O LYS A 8 5.889 -11.801 3.510 1.00 0.16 O ATOM 124 CB LYS A 8 8.668 -10.853 2.221 1.00 0.18 C ATOM 125 CG LYS A 8 7.844 -11.334 1.023 1.00 0.21 C ATOM 126 CD LYS A 8 8.691 -12.250 0.135 1.00 0.43 C ATOM 127 CE LYS A 8 9.896 -11.482 -0.409 1.00 0.80 C ATOM 128 NZ LYS A 8 10.923 -11.349 0.662 1.00 1.65 N ATOM 0 H LYS A 8 9.539 -9.638 4.208 1.00 0.14 H new ATOM 0 HA LYS A 8 7.040 -9.587 2.827 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.377 -10.088 1.905 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.251 -11.678 2.630 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.960 -11.868 1.371 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.493 -10.478 0.446 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.028 -13.114 0.707 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.088 -12.629 -0.690 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.316 -12.005 -1.268 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.586 -10.496 -0.756 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.864 -11.551 0.268 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.907 -10.380 1.040 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.716 -12.023 1.427 1.00 1.65 H new ATOM 142 N THR A 9 7.512 -12.024 4.970 1.00 0.15 N ATOM 143 CA THR A 9 6.808 -13.161 5.624 1.00 0.17 C ATOM 144 C THR A 9 5.431 -12.704 6.095 1.00 0.16 C ATOM 145 O THR A 9 4.431 -13.345 5.837 1.00 0.17 O ATOM 146 CB THR A 9 7.616 -13.650 6.830 1.00 0.19 C ATOM 147 OG1 THR A 9 8.929 -13.992 6.413 1.00 0.22 O ATOM 148 CG2 THR A 9 6.933 -14.875 7.441 1.00 0.23 C ATOM 0 H THR A 9 8.408 -11.767 5.383 1.00 0.15 H new ATOM 0 HA THR A 9 6.701 -13.974 4.906 1.00 0.17 H new ATOM 0 HB THR A 9 7.670 -12.858 7.577 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.447 -14.303 7.185 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.509 -15.222 8.299 1.00 0.23 H new ATOM 0 HG22 THR A 9 5.927 -14.608 7.763 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.876 -15.669 6.697 1.00 0.23 H new ATOM 156 N ALA A 10 5.366 -11.596 6.771 1.00 0.15 N ATOM 157 CA ALA A 10 4.048 -11.094 7.244 1.00 0.15 C ATOM 158 C ALA A 10 3.220 -10.670 6.037 1.00 0.14 C ATOM 159 O ALA A 10 2.010 -10.759 6.038 1.00 0.15 O ATOM 160 CB ALA A 10 4.261 -9.897 8.173 1.00 0.17 C ATOM 0 H ALA A 10 6.167 -11.015 7.017 1.00 0.15 H new ATOM 0 HA ALA A 10 3.525 -11.879 7.790 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.295 -9.529 8.520 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.861 -10.204 9.030 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.778 -9.104 7.632 1.00 0.17 H new ATOM 166 N PHE A 11 3.866 -10.211 5.002 1.00 0.14 N ATOM 167 CA PHE A 11 3.113 -9.778 3.793 1.00 0.13 C ATOM 168 C PHE A 11 2.316 -10.957 3.251 1.00 0.14 C ATOM 169 O PHE A 11 1.157 -10.836 2.900 1.00 0.14 O ATOM 170 CB PHE A 11 4.122 -9.332 2.727 1.00 0.14 C ATOM 171 CG PHE A 11 3.406 -8.674 1.569 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.756 -7.454 1.755 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.399 -9.285 0.307 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.095 -6.845 0.685 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.740 -8.675 -0.763 1.00 0.14 C ATOM 176 CZ PHE A 11 2.085 -7.456 -0.575 1.00 0.14 C ATOM 0 H PHE A 11 4.880 -10.117 4.941 1.00 0.14 H new ATOM 0 HA PHE A 11 2.437 -8.961 4.045 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.838 -8.636 3.163 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.689 -10.192 2.371 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.764 -6.980 2.726 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.904 -10.229 0.162 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.591 -5.901 0.830 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.737 -9.146 -1.735 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.571 -6.985 -1.400 1.00 0.14 H new ATOM 186 N GLN A 12 2.931 -12.100 3.187 1.00 0.14 N ATOM 187 CA GLN A 12 2.221 -13.301 2.668 1.00 0.16 C ATOM 188 C GLN A 12 1.084 -13.665 3.625 1.00 0.15 C ATOM 189 O GLN A 12 -0.013 -13.990 3.218 1.00 0.16 O ATOM 190 CB GLN A 12 3.212 -14.466 2.606 1.00 0.18 C ATOM 191 CG GLN A 12 4.322 -14.146 1.602 1.00 0.17 C ATOM 192 CD GLN A 12 3.730 -14.003 0.197 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.726 -12.924 -0.363 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.224 -15.048 -0.401 1.00 1.31 N ATOM 0 H GLN A 12 3.898 -12.257 3.472 1.00 0.14 H new ATOM 0 HA GLN A 12 1.816 -13.097 1.677 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.641 -14.644 3.592 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.696 -15.380 2.313 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.828 -13.224 1.888 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.072 -14.937 1.611 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.226 -15.954 0.067 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.827 -14.958 -1.336 1.00 1.31 H new ATOM 203 N GLU A 13 1.350 -13.603 4.901 1.00 0.16 N ATOM 204 CA GLU A 13 0.309 -13.931 5.916 1.00 0.17 C ATOM 205 C GLU A 13 -0.839 -12.929 5.837 1.00 0.15 C ATOM 206 O GLU A 13 -1.994 -13.278 5.983 1.00 0.16 O ATOM 207 CB GLU A 13 0.946 -13.864 7.306 1.00 0.19 C ATOM 208 CG GLU A 13 2.028 -14.941 7.441 1.00 0.28 C ATOM 209 CD GLU A 13 1.395 -16.334 7.343 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.234 -16.462 7.694 1.00 1.77 O ATOM 211 OE2 GLU A 13 2.085 -17.248 6.922 1.00 1.67 O ATOM 0 H GLU A 13 2.255 -13.336 5.288 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.084 -14.930 5.726 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.381 -12.878 7.468 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.183 -14.006 8.072 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.776 -14.817 6.658 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.544 -14.833 8.395 1.00 0.28 H new ATOM 218 N ALA A 14 -0.529 -11.685 5.623 1.00 0.15 N ATOM 219 CA ALA A 14 -1.599 -10.660 5.552 1.00 0.14 C ATOM 220 C ALA A 14 -2.444 -10.909 4.308 1.00 0.13 C ATOM 221 O ALA A 14 -3.656 -10.826 4.339 1.00 0.13 O ATOM 222 CB ALA A 14 -0.969 -9.267 5.482 1.00 0.15 C ATOM 0 H ALA A 14 0.420 -11.334 5.494 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.230 -10.721 6.439 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.756 -8.514 5.430 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.362 -9.097 6.371 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.340 -9.196 4.595 1.00 0.15 H new ATOM 228 N LEU A 15 -1.819 -11.232 3.214 1.00 0.12 N ATOM 229 CA LEU A 15 -2.601 -11.499 1.987 1.00 0.12 C ATOM 230 C LEU A 15 -3.536 -12.676 2.259 1.00 0.13 C ATOM 231 O LEU A 15 -4.678 -12.688 1.844 1.00 0.13 O ATOM 232 CB LEU A 15 -1.647 -11.865 0.850 1.00 0.13 C ATOM 233 CG LEU A 15 -0.841 -10.630 0.422 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.333 -11.078 -0.459 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.728 -9.641 -0.364 1.00 0.17 C ATOM 0 H LEU A 15 -0.807 -11.321 3.119 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.176 -10.617 1.706 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.971 -12.657 1.172 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.211 -12.253 0.002 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.470 -10.125 1.314 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.910 -10.206 -0.767 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.973 -11.756 0.105 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.049 -11.590 -1.342 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.135 -8.774 -0.657 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.118 -10.132 -1.256 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.558 -9.318 0.265 1.00 0.17 H new ATOM 247 N ASP A 16 -3.059 -13.671 2.960 1.00 0.13 N ATOM 248 CA ASP A 16 -3.918 -14.847 3.269 1.00 0.15 C ATOM 249 C ASP A 16 -5.014 -14.445 4.260 1.00 0.15 C ATOM 250 O ASP A 16 -6.127 -14.929 4.207 1.00 0.16 O ATOM 251 CB ASP A 16 -3.075 -15.984 3.857 1.00 0.17 C ATOM 252 CG ASP A 16 -3.864 -17.296 3.771 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.054 -17.266 4.031 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.262 -18.307 3.441 1.00 1.07 O ATOM 0 H ASP A 16 -2.110 -13.718 3.331 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.380 -15.196 2.345 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.135 -16.075 3.312 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.822 -15.766 4.895 1.00 0.17 H new ATOM 259 N ALA A 17 -4.692 -13.583 5.188 1.00 0.15 N ATOM 260 CA ALA A 17 -5.698 -13.153 6.204 1.00 0.16 C ATOM 261 C ALA A 17 -6.789 -12.302 5.546 1.00 0.15 C ATOM 262 O ALA A 17 -7.949 -12.379 5.901 1.00 0.17 O ATOM 263 CB ALA A 17 -4.991 -12.332 7.286 1.00 0.18 C ATOM 0 H ALA A 17 -3.771 -13.156 5.287 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.162 -14.034 6.646 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.717 -12.013 8.033 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.224 -12.942 7.763 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.528 -11.456 6.833 1.00 0.18 H new ATOM 269 N ALA A 18 -6.426 -11.493 4.588 1.00 0.14 N ATOM 270 CA ALA A 18 -7.440 -10.637 3.905 1.00 0.15 C ATOM 271 C ALA A 18 -8.461 -11.527 3.197 1.00 0.14 C ATOM 272 O ALA A 18 -9.628 -11.199 3.099 1.00 0.17 O ATOM 273 CB ALA A 18 -6.748 -9.747 2.875 1.00 0.15 C ATOM 0 H ALA A 18 -5.470 -11.387 4.248 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.945 -10.014 4.644 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.490 -9.122 2.377 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.016 -9.113 3.375 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.243 -10.370 2.136 1.00 0.15 H new ATOM 279 N GLY A 19 -8.029 -12.652 2.703 1.00 0.16 N ATOM 280 CA GLY A 19 -8.967 -13.574 2.004 1.00 0.20 C ATOM 281 C GLY A 19 -9.444 -12.951 0.686 1.00 0.16 C ATOM 282 O GLY A 19 -8.655 -12.597 -0.166 1.00 0.17 O ATOM 0 H GLY A 19 -7.063 -12.975 2.753 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.473 -14.525 1.806 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.823 -13.787 2.644 1.00 0.20 H new ATOM 286 N ASP A 20 -10.737 -12.836 0.502 1.00 0.15 N ATOM 287 CA ASP A 20 -11.275 -12.259 -0.772 1.00 0.14 C ATOM 288 C ASP A 20 -11.495 -10.750 -0.636 1.00 0.12 C ATOM 289 O ASP A 20 -11.981 -10.106 -1.545 1.00 0.13 O ATOM 290 CB ASP A 20 -12.605 -12.930 -1.106 1.00 0.15 C ATOM 291 CG ASP A 20 -12.377 -14.425 -1.339 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.287 -14.779 -1.758 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.294 -15.189 -1.092 1.00 1.07 O ATOM 0 H ASP A 20 -11.445 -13.117 1.180 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.551 -12.437 -1.567 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.314 -12.782 -0.292 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.041 -12.475 -1.995 1.00 0.15 H new ATOM 298 N LYS A 21 -11.146 -10.179 0.482 1.00 0.12 N ATOM 299 CA LYS A 21 -11.343 -8.712 0.656 1.00 0.12 C ATOM 300 C LYS A 21 -10.273 -7.974 -0.146 1.00 0.10 C ATOM 301 O LYS A 21 -9.184 -8.474 -0.344 1.00 0.11 O ATOM 302 CB LYS A 21 -11.184 -8.337 2.131 1.00 0.15 C ATOM 303 CG LYS A 21 -12.338 -8.914 2.964 1.00 0.21 C ATOM 304 CD LYS A 21 -12.450 -8.136 4.284 1.00 0.31 C ATOM 305 CE LYS A 21 -13.276 -8.935 5.292 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.696 -8.040 6.408 1.00 1.50 N ATOM 0 H LYS A 21 -10.734 -10.662 1.281 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.341 -8.439 0.313 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.233 -8.714 2.507 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.160 -7.252 2.235 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.273 -8.846 2.408 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.163 -9.971 3.165 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.456 -7.943 4.687 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.916 -7.167 4.106 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.152 -9.362 4.804 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.690 -9.768 5.680 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.258 -8.582 7.095 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.853 -7.653 6.879 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.270 -7.260 6.030 1.00 1.50 H new ATOM 320 N LEU A 22 -10.564 -6.792 -0.612 1.00 0.11 N ATOM 321 CA LEU A 22 -9.548 -6.044 -1.394 1.00 0.12 C ATOM 322 C LEU A 22 -8.343 -5.780 -0.471 1.00 0.12 C ATOM 323 O LEU A 22 -8.476 -5.743 0.736 1.00 0.14 O ATOM 324 CB LEU A 22 -10.180 -4.718 -1.869 1.00 0.15 C ATOM 325 CG LEU A 22 -9.757 -4.359 -3.305 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.292 -2.949 -3.674 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.223 -4.378 -3.435 1.00 0.47 C ATOM 0 H LEU A 22 -11.457 -6.316 -0.485 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.215 -6.606 -2.267 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.266 -4.796 -1.820 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.887 -3.914 -1.193 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.178 -5.098 -3.986 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.990 -2.700 -4.691 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.380 -2.944 -3.607 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.882 -2.212 -2.983 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.941 -4.122 -4.456 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.790 -3.652 -2.746 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.850 -5.373 -3.194 1.00 0.47 H new ATOM 339 N VAL A 23 -7.179 -5.590 -1.027 1.00 0.11 N ATOM 340 CA VAL A 23 -5.975 -5.325 -0.195 1.00 0.11 C ATOM 341 C VAL A 23 -5.098 -4.309 -0.915 1.00 0.11 C ATOM 342 O VAL A 23 -4.541 -4.583 -1.960 1.00 0.17 O ATOM 343 CB VAL A 23 -5.191 -6.623 -0.003 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.992 -6.375 0.921 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.108 -7.677 0.614 1.00 0.12 C ATOM 0 H VAL A 23 -7.010 -5.607 -2.033 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.275 -4.938 0.779 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.827 -6.975 -0.969 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.437 -7.304 1.054 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.340 -5.623 0.477 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.346 -6.022 1.890 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.554 -8.605 0.753 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.471 -7.323 1.579 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.954 -7.856 -0.049 1.00 0.12 H new ATOM 355 N VAL A 24 -4.969 -3.135 -0.361 1.00 0.09 N ATOM 356 CA VAL A 24 -4.121 -2.089 -1.001 1.00 0.09 C ATOM 357 C VAL A 24 -2.792 -2.035 -0.247 1.00 0.09 C ATOM 358 O VAL A 24 -2.760 -2.159 0.961 1.00 0.10 O ATOM 359 CB VAL A 24 -4.820 -0.726 -0.909 1.00 0.11 C ATOM 360 CG1 VAL A 24 -4.010 0.320 -1.680 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.219 -0.831 -1.516 1.00 0.14 C ATOM 0 H VAL A 24 -5.416 -2.854 0.511 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.955 -2.326 -2.052 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.895 -0.428 0.137 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.508 1.287 -1.614 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -3.011 0.396 -1.250 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.933 0.022 -2.726 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.717 0.136 -1.452 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.141 -1.130 -2.561 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.798 -1.575 -0.969 1.00 0.14 H new ATOM 371 N VAL A 25 -1.694 -1.861 -0.945 1.00 0.09 N ATOM 372 CA VAL A 25 -0.360 -1.806 -0.263 1.00 0.09 C ATOM 373 C VAL A 25 0.342 -0.503 -0.620 1.00 0.10 C ATOM 374 O VAL A 25 0.548 -0.191 -1.775 1.00 0.11 O ATOM 375 CB VAL A 25 0.503 -2.979 -0.729 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.845 -2.942 0.003 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.218 -4.293 -0.421 1.00 0.10 C ATOM 0 H VAL A 25 -1.664 -1.755 -1.959 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.507 -1.862 0.816 1.00 0.09 H new ATOM 0 HB VAL A 25 0.675 -2.906 -1.803 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.463 -3.777 -0.327 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.354 -2.004 -0.218 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.676 -3.018 1.077 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.395 -5.131 -0.752 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.389 -4.371 0.653 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.174 -4.314 -0.944 1.00 0.10 H new ATOM 387 N ASP A 26 0.710 0.263 0.371 1.00 0.11 N ATOM 388 CA ASP A 26 1.403 1.559 0.111 1.00 0.12 C ATOM 389 C ASP A 26 2.912 1.423 0.320 1.00 0.14 C ATOM 390 O ASP A 26 3.385 1.336 1.437 1.00 0.20 O ATOM 391 CB ASP A 26 0.863 2.605 1.088 1.00 0.14 C ATOM 392 CG ASP A 26 1.555 3.945 0.844 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.477 4.435 -0.269 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.142 4.463 1.779 1.00 1.04 O ATOM 0 H ASP A 26 0.560 0.046 1.356 1.00 0.11 H new ATOM 0 HA ASP A 26 1.219 1.856 -0.921 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.214 2.713 0.961 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.032 2.279 2.114 1.00 0.14 H new ATOM 399 N PHE A 27 3.681 1.461 -0.736 1.00 0.13 N ATOM 400 CA PHE A 27 5.162 1.401 -0.578 1.00 0.13 C ATOM 401 C PHE A 27 5.645 2.838 -0.469 1.00 0.22 C ATOM 402 O PHE A 27 5.756 3.539 -1.455 1.00 0.73 O ATOM 403 CB PHE A 27 5.812 0.754 -1.806 1.00 0.11 C ATOM 404 CG PHE A 27 5.555 -0.732 -1.821 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.437 -1.601 -1.167 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.447 -1.243 -2.507 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.207 -2.981 -1.199 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.220 -2.622 -2.535 1.00 0.14 C ATOM 409 CZ PHE A 27 5.098 -3.491 -1.883 1.00 0.14 C ATOM 0 H PHE A 27 3.348 1.531 -1.698 1.00 0.13 H new ATOM 0 HA PHE A 27 5.426 0.810 0.299 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.415 1.206 -2.715 1.00 0.11 H new ATOM 0 HB3 PHE A 27 6.885 0.943 -1.798 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.293 -1.207 -0.639 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.769 -0.573 -3.014 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.886 -3.653 -0.695 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.364 -3.016 -3.062 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.921 -4.556 -1.907 1.00 0.14 H new ATOM 419 N SER A 28 5.925 3.283 0.718 1.00 0.30 N ATOM 420 CA SER A 28 6.400 4.682 0.914 1.00 0.24 C ATOM 421 C SER A 28 7.673 4.642 1.727 1.00 0.24 C ATOM 422 O SER A 28 7.839 3.809 2.595 1.00 0.28 O ATOM 423 CB SER A 28 5.343 5.475 1.682 1.00 0.27 C ATOM 424 OG SER A 28 4.178 5.606 0.880 1.00 0.29 O ATOM 0 H SER A 28 5.845 2.733 1.574 1.00 0.30 H new ATOM 0 HA SER A 28 6.578 5.156 -0.051 1.00 0.24 H new ATOM 0 HB2 SER A 28 5.100 4.969 2.616 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.730 6.460 1.944 1.00 0.27 H new ATOM 0 HG SER A 28 3.381 5.485 1.438 1.00 0.29 H new ATOM 430 N ALA A 29 8.572 5.539 1.479 1.00 0.20 N ATOM 431 CA ALA A 29 9.817 5.542 2.273 1.00 0.21 C ATOM 432 C ALA A 29 9.530 6.303 3.552 1.00 0.22 C ATOM 433 O ALA A 29 9.096 7.439 3.526 1.00 0.22 O ATOM 434 CB ALA A 29 10.927 6.237 1.482 1.00 0.19 C ATOM 0 H ALA A 29 8.500 6.265 0.766 1.00 0.20 H new ATOM 0 HA ALA A 29 10.144 4.527 2.497 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.846 6.239 2.069 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.095 5.704 0.546 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.632 7.264 1.267 1.00 0.19 H new ATOM 440 N THR A 30 9.746 5.694 4.676 1.00 0.23 N ATOM 441 CA THR A 30 9.459 6.412 5.933 1.00 0.24 C ATOM 442 C THR A 30 10.444 7.571 6.066 1.00 0.22 C ATOM 443 O THR A 30 10.122 8.614 6.596 1.00 0.22 O ATOM 444 CB THR A 30 9.590 5.456 7.123 1.00 0.28 C ATOM 445 OG1 THR A 30 9.336 6.168 8.323 1.00 0.30 O ATOM 446 CG2 THR A 30 10.997 4.861 7.169 1.00 0.29 C ATOM 0 H THR A 30 10.104 4.744 4.777 1.00 0.23 H new ATOM 0 HA THR A 30 8.440 6.799 5.920 1.00 0.24 H new ATOM 0 HB THR A 30 8.869 4.646 7.014 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.417 5.560 9.087 1.00 0.30 H new ATOM 0 HG21 THR A 30 11.078 4.183 8.019 1.00 0.29 H new ATOM 0 HG22 THR A 30 11.190 4.312 6.247 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.728 5.663 7.274 1.00 0.29 H new ATOM 454 N TRP A 31 11.640 7.406 5.564 1.00 0.22 N ATOM 455 CA TRP A 31 12.638 8.519 5.655 1.00 0.21 C ATOM 456 C TRP A 31 12.246 9.671 4.730 1.00 0.19 C ATOM 457 O TRP A 31 12.605 10.811 4.958 1.00 0.22 O ATOM 458 CB TRP A 31 14.021 8.018 5.255 1.00 0.23 C ATOM 459 CG TRP A 31 14.014 7.555 3.833 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.939 6.268 3.459 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.076 8.337 2.602 1.00 0.21 C ATOM 462 NE1 TRP A 31 14.001 6.191 2.078 1.00 0.25 N ATOM 463 CE2 TRP A 31 14.071 7.444 1.502 1.00 0.21 C ATOM 464 CE3 TRP A 31 14.144 9.714 2.335 1.00 0.21 C ATOM 465 CZ2 TRP A 31 14.132 7.903 0.186 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.201 10.180 1.012 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.197 9.278 -0.060 1.00 0.21 C ATOM 0 H TRP A 31 11.969 6.560 5.099 1.00 0.22 H new ATOM 0 HA TRP A 31 12.655 8.872 6.686 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.754 8.814 5.382 1.00 0.23 H new ATOM 0 HB3 TRP A 31 14.322 7.200 5.909 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.845 5.426 4.129 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.996 5.317 1.552 1.00 0.25 H new ATOM 0 HE3 TRP A 31 14.153 10.419 3.153 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 14.129 7.202 -0.636 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.248 11.242 0.819 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.244 9.644 -1.075 1.00 0.21 H new ATOM 478 N CYS A 32 11.523 9.393 3.683 1.00 0.18 N ATOM 479 CA CYS A 32 11.125 10.482 2.748 1.00 0.17 C ATOM 480 C CYS A 32 9.873 11.157 3.309 1.00 0.17 C ATOM 481 O CYS A 32 8.833 10.548 3.458 1.00 0.20 O ATOM 482 CB CYS A 32 10.852 9.879 1.361 1.00 0.18 C ATOM 483 SG CYS A 32 10.943 11.175 0.091 1.00 0.26 S ATOM 0 H CYS A 32 11.191 8.461 3.434 1.00 0.18 H new ATOM 0 HA CYS A 32 11.918 11.223 2.648 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.579 9.096 1.146 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.867 9.412 1.346 1.00 0.18 H new ATOM 488 N GLY A 33 9.987 12.411 3.656 1.00 0.20 N ATOM 489 CA GLY A 33 8.834 13.141 4.251 1.00 0.23 C ATOM 490 C GLY A 33 7.664 13.246 3.271 1.00 0.21 C ATOM 491 O GLY A 33 6.542 12.962 3.625 1.00 0.22 O ATOM 0 H GLY A 33 10.838 12.964 3.551 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.506 12.628 5.155 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.151 14.141 4.548 1.00 0.23 H new ATOM 495 N PRO A 34 7.892 13.679 2.058 1.00 0.21 N ATOM 496 CA PRO A 34 6.774 13.804 1.085 1.00 0.22 C ATOM 497 C PRO A 34 5.962 12.503 0.971 1.00 0.22 C ATOM 498 O PRO A 34 4.757 12.526 0.811 1.00 0.24 O ATOM 499 CB PRO A 34 7.525 14.131 -0.215 1.00 0.29 C ATOM 500 CG PRO A 34 8.915 14.652 0.179 1.00 0.31 C ATOM 501 CD PRO A 34 9.243 14.077 1.566 1.00 0.24 C ATOM 0 HA PRO A 34 6.031 14.552 1.362 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.611 13.244 -0.843 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.984 14.880 -0.793 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.662 14.343 -0.552 1.00 0.31 H new ATOM 0 HG3 PRO A 34 8.924 15.742 0.203 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.923 13.227 1.506 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.713 14.816 2.215 1.00 0.24 H new ATOM 509 N ALA A 35 6.619 11.370 1.063 1.00 0.21 N ATOM 510 CA ALA A 35 5.891 10.067 0.961 1.00 0.23 C ATOM 511 C ALA A 35 5.137 9.783 2.266 1.00 0.23 C ATOM 512 O ALA A 35 3.947 9.541 2.264 1.00 0.22 O ATOM 513 CB ALA A 35 6.899 8.939 0.706 1.00 0.24 C ATOM 0 H ALA A 35 7.626 11.293 1.204 1.00 0.21 H new ATOM 0 HA ALA A 35 5.178 10.121 0.138 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.370 7.989 0.631 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.433 9.131 -0.225 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.611 8.894 1.530 1.00 0.24 H new ATOM 519 N LYS A 36 5.817 9.812 3.381 1.00 0.25 N ATOM 520 CA LYS A 36 5.129 9.549 4.680 1.00 0.27 C ATOM 521 C LYS A 36 4.037 10.603 4.915 1.00 0.26 C ATOM 522 O LYS A 36 2.980 10.317 5.444 1.00 0.27 O ATOM 523 CB LYS A 36 6.141 9.592 5.828 1.00 0.33 C ATOM 524 CG LYS A 36 5.457 9.103 7.114 1.00 0.37 C ATOM 525 CD LYS A 36 6.384 9.311 8.327 1.00 0.44 C ATOM 526 CE LYS A 36 6.193 10.718 8.907 1.00 0.89 C ATOM 527 NZ LYS A 36 4.817 10.843 9.468 1.00 1.59 N ATOM 0 H LYS A 36 6.816 10.006 3.449 1.00 0.25 H new ATOM 0 HA LYS A 36 4.673 8.560 4.643 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.001 8.963 5.596 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.515 10.607 5.963 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.523 9.644 7.265 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.202 8.047 7.019 1.00 0.37 H new ATOM 0 HD2 LYS A 36 6.169 8.563 9.090 1.00 0.44 H new ATOM 0 HD3 LYS A 36 7.423 9.171 8.028 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.933 10.905 9.685 1.00 0.89 H new ATOM 0 HE3 LYS A 36 6.350 11.467 8.131 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 4.828 11.503 10.272 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.174 11.202 8.734 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 4.488 9.911 9.791 1.00 1.59 H new ATOM 541 N MET A 37 4.300 11.820 4.530 1.00 0.28 N ATOM 542 CA MET A 37 3.320 12.930 4.735 1.00 0.30 C ATOM 543 C MET A 37 2.008 12.604 4.020 1.00 0.25 C ATOM 544 O MET A 37 0.954 13.054 4.409 1.00 0.25 O ATOM 545 CB MET A 37 3.920 14.223 4.167 1.00 0.38 C ATOM 546 CG MET A 37 3.036 15.425 4.512 1.00 0.44 C ATOM 547 SD MET A 37 1.607 15.471 3.399 1.00 1.54 S ATOM 548 CE MET A 37 2.382 16.413 2.060 1.00 2.10 C ATOM 0 H MET A 37 5.168 12.100 4.073 1.00 0.28 H new ATOM 0 HA MET A 37 3.114 13.053 5.798 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.921 14.373 4.571 1.00 0.38 H new ATOM 0 HB3 MET A 37 4.022 14.138 3.085 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.701 15.357 5.547 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.609 16.348 4.422 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.663 16.559 1.254 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.705 17.383 2.437 1.00 2.10 H new ATOM 0 HE3 MET A 37 3.245 15.865 1.682 1.00 2.10 H new ATOM 558 N ILE A 38 2.082 11.840 2.971 1.00 0.23 N ATOM 559 CA ILE A 38 0.861 11.467 2.198 1.00 0.25 C ATOM 560 C ILE A 38 0.118 10.297 2.858 1.00 0.26 C ATOM 561 O ILE A 38 -0.918 9.878 2.382 1.00 0.31 O ATOM 562 CB ILE A 38 1.287 11.072 0.784 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.805 12.318 0.063 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.101 10.473 0.010 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.623 11.897 -1.149 1.00 0.49 C ATOM 0 H ILE A 38 2.951 11.449 2.607 1.00 0.23 H new ATOM 0 HA ILE A 38 0.183 12.320 2.173 1.00 0.25 H new ATOM 0 HB ILE A 38 2.072 10.318 0.839 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.970 12.945 -0.248 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.417 12.915 0.739 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.424 10.198 -0.994 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.262 9.587 0.530 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.700 11.209 -0.055 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.993 12.784 -1.664 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.466 11.287 -0.825 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.996 11.318 -1.828 1.00 0.49 H new ATOM 577 N LYS A 39 0.637 9.729 3.915 1.00 0.27 N ATOM 578 CA LYS A 39 -0.072 8.563 4.522 1.00 0.34 C ATOM 579 C LYS A 39 -1.463 8.912 5.111 1.00 0.30 C ATOM 580 O LYS A 39 -2.282 8.030 5.214 1.00 0.33 O ATOM 581 CB LYS A 39 0.779 7.837 5.600 1.00 0.46 C ATOM 582 CG LYS A 39 0.761 8.567 6.966 1.00 0.50 C ATOM 583 CD LYS A 39 1.535 7.769 8.038 1.00 0.65 C ATOM 584 CE LYS A 39 1.084 6.301 8.091 1.00 0.80 C ATOM 585 NZ LYS A 39 1.482 5.708 9.399 1.00 0.75 N ATOM 0 H LYS A 39 1.501 10.013 4.376 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.230 7.886 3.683 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.404 6.822 5.730 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.808 7.755 5.250 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.203 9.558 6.857 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.270 8.711 7.290 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.603 7.814 7.824 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.385 8.231 9.014 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.003 6.236 7.964 1.00 0.80 H new ATOM 0 HE3 LYS A 39 1.536 5.740 7.273 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 1.725 4.706 9.266 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.307 6.217 9.774 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 0.692 5.787 10.071 1.00 0.75 H new ATOM 599 N PRO A 40 -1.756 10.127 5.565 1.00 0.26 N ATOM 600 CA PRO A 40 -3.089 10.382 6.190 1.00 0.25 C ATOM 601 C PRO A 40 -4.246 10.020 5.269 1.00 0.20 C ATOM 602 O PRO A 40 -5.218 9.452 5.699 1.00 0.21 O ATOM 603 CB PRO A 40 -3.031 11.890 6.471 1.00 0.26 C ATOM 604 CG PRO A 40 -1.557 12.283 6.451 1.00 0.28 C ATOM 605 CD PRO A 40 -0.864 11.317 5.489 1.00 0.27 C ATOM 0 HA PRO A 40 -3.269 9.776 7.078 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.590 12.446 5.718 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.480 12.121 7.437 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.435 13.314 6.120 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.124 12.215 7.449 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.803 11.719 4.478 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.154 11.087 5.803 1.00 0.27 H new ATOM 613 N PHE A 41 -4.159 10.315 4.007 1.00 0.16 N ATOM 614 CA PHE A 41 -5.286 9.933 3.130 1.00 0.13 C ATOM 615 C PHE A 41 -5.317 8.413 3.044 1.00 0.13 C ATOM 616 O PHE A 41 -6.337 7.783 3.200 1.00 0.15 O ATOM 617 CB PHE A 41 -5.049 10.483 1.728 1.00 0.14 C ATOM 618 CG PHE A 41 -5.209 11.979 1.722 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.195 12.796 2.235 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.377 12.549 1.203 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.351 14.187 2.228 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.533 13.938 1.198 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.521 14.757 1.711 1.00 0.37 C ATOM 0 H PHE A 41 -3.378 10.791 3.556 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.221 10.328 3.529 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.048 10.216 1.389 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.753 10.032 1.029 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.294 12.354 2.635 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.157 11.916 0.807 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.569 14.820 2.621 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.434 14.379 0.798 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.642 15.830 1.708 1.00 0.37 H new ATOM 633 N PHE A 42 -4.180 7.817 2.852 1.00 0.12 N ATOM 634 CA PHE A 42 -4.120 6.336 2.773 1.00 0.13 C ATOM 635 C PHE A 42 -4.626 5.716 4.080 1.00 0.14 C ATOM 636 O PHE A 42 -5.515 4.889 4.088 1.00 0.16 O ATOM 637 CB PHE A 42 -2.658 5.946 2.530 1.00 0.13 C ATOM 638 CG PHE A 42 -2.521 4.449 2.550 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.860 3.707 1.418 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.070 3.803 3.708 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.748 2.315 1.438 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.955 2.410 3.730 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.294 1.664 2.594 1.00 0.13 C ATOM 0 H PHE A 42 -3.284 8.293 2.746 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.752 5.969 1.964 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.322 6.338 1.570 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -2.022 6.389 3.296 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.209 4.209 0.527 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.811 4.381 4.583 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.011 1.740 0.563 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.605 1.910 4.621 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.206 0.588 2.608 1.00 0.13 H new ATOM 653 N HIS A 43 -4.070 6.125 5.179 1.00 0.16 N ATOM 654 CA HIS A 43 -4.487 5.586 6.502 1.00 0.18 C ATOM 655 C HIS A 43 -5.916 6.043 6.847 1.00 0.16 C ATOM 656 O HIS A 43 -6.706 5.290 7.378 1.00 0.16 O ATOM 657 CB HIS A 43 -3.493 6.108 7.543 1.00 0.23 C ATOM 658 CG HIS A 43 -3.859 5.603 8.904 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.267 4.482 9.456 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.773 6.040 9.821 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.835 4.279 10.660 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.762 5.202 10.931 1.00 0.31 N ATOM 0 H HIS A 43 -3.329 6.824 5.220 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.488 4.496 6.486 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.484 5.786 7.287 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.490 7.198 7.540 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.408 6.905 9.702 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.573 3.469 11.325 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.337 5.276 11.770 1.00 0.31 H new ATOM 670 N SER A 44 -6.249 7.271 6.551 1.00 0.15 N ATOM 671 CA SER A 44 -7.622 7.774 6.864 1.00 0.15 C ATOM 672 C SER A 44 -8.669 6.967 6.086 1.00 0.13 C ATOM 673 O SER A 44 -9.734 6.665 6.586 1.00 0.15 O ATOM 674 CB SER A 44 -7.740 9.257 6.505 1.00 0.18 C ATOM 675 OG SER A 44 -6.821 9.999 7.301 1.00 0.22 O ATOM 0 H SER A 44 -5.631 7.949 6.106 1.00 0.15 H new ATOM 0 HA SER A 44 -7.800 7.654 7.933 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.528 9.407 5.446 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.757 9.607 6.679 1.00 0.18 H new ATOM 0 HG SER A 44 -5.905 9.801 7.013 1.00 0.22 H new ATOM 681 N LEU A 45 -8.377 6.626 4.859 1.00 0.12 N ATOM 682 CA LEU A 45 -9.361 5.853 4.044 1.00 0.14 C ATOM 683 C LEU A 45 -9.651 4.507 4.708 1.00 0.13 C ATOM 684 O LEU A 45 -10.706 3.936 4.525 1.00 0.15 O ATOM 685 CB LEU A 45 -8.805 5.603 2.641 1.00 0.16 C ATOM 686 CG LEU A 45 -8.806 6.904 1.814 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.850 6.755 0.626 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.215 7.205 1.282 1.00 0.22 C ATOM 0 H LEU A 45 -7.501 6.849 4.386 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.281 6.434 3.974 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.790 5.212 2.711 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.405 4.845 2.137 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.484 7.723 2.457 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.850 7.675 0.041 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.842 6.558 0.992 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.176 5.926 -0.002 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.195 8.127 0.701 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.548 6.383 0.648 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.904 7.319 2.119 1.00 0.22 H new ATOM 700 N SER A 46 -8.726 3.979 5.462 1.00 0.12 N ATOM 701 CA SER A 46 -8.975 2.658 6.106 1.00 0.12 C ATOM 702 C SER A 46 -10.314 2.692 6.830 1.00 0.14 C ATOM 703 O SER A 46 -11.051 1.729 6.825 1.00 0.16 O ATOM 704 CB SER A 46 -7.872 2.352 7.118 1.00 0.13 C ATOM 705 OG SER A 46 -6.619 2.303 6.448 1.00 0.14 O ATOM 0 H SER A 46 -7.818 4.400 5.659 1.00 0.12 H new ATOM 0 HA SER A 46 -8.985 1.886 5.337 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.852 3.117 7.894 1.00 0.13 H new ATOM 0 HB3 SER A 46 -8.070 1.401 7.613 1.00 0.13 H new ATOM 0 HG SER A 46 -6.743 1.935 5.548 1.00 0.14 H new ATOM 711 N GLU A 47 -10.645 3.785 7.453 1.00 0.15 N ATOM 712 CA GLU A 47 -11.949 3.851 8.166 1.00 0.18 C ATOM 713 C GLU A 47 -13.058 4.206 7.167 1.00 0.18 C ATOM 714 O GLU A 47 -14.228 4.057 7.457 1.00 0.21 O ATOM 715 CB GLU A 47 -11.886 4.925 9.263 1.00 0.22 C ATOM 716 CG GLU A 47 -10.966 4.464 10.402 1.00 0.23 C ATOM 717 CD GLU A 47 -9.503 4.545 9.962 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.211 5.325 9.070 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.697 3.821 10.524 1.00 2.16 O ATOM 0 H GLU A 47 -10.075 4.630 7.500 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.162 2.883 8.621 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.518 5.862 8.845 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.886 5.120 9.650 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.124 5.087 11.282 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.212 3.441 10.687 1.00 0.23 H new ATOM 726 N LYS A 48 -12.710 4.645 5.979 1.00 0.17 N ATOM 727 CA LYS A 48 -13.771 4.964 4.974 1.00 0.19 C ATOM 728 C LYS A 48 -14.188 3.660 4.312 1.00 0.18 C ATOM 729 O LYS A 48 -15.349 3.434 4.031 1.00 0.21 O ATOM 730 CB LYS A 48 -13.251 5.939 3.916 1.00 0.20 C ATOM 731 CG LYS A 48 -14.419 6.352 3.007 1.00 0.30 C ATOM 732 CD LYS A 48 -13.922 7.247 1.857 1.00 0.82 C ATOM 733 CE LYS A 48 -13.812 8.712 2.311 1.00 1.03 C ATOM 734 NZ LYS A 48 -12.659 8.877 3.242 1.00 1.78 N ATOM 0 H LYS A 48 -11.751 4.794 5.667 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.618 5.437 5.471 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.815 6.817 4.393 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.462 5.472 3.327 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.902 5.463 2.600 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -15.170 6.884 3.591 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.950 6.895 1.511 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.607 7.174 1.012 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -13.685 9.360 1.444 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -14.734 9.018 2.805 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -13.006 9.178 4.175 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -12.156 7.972 3.336 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -12.009 9.597 2.866 1.00 1.78 H new ATOM 748 N TYR A 49 -13.238 2.783 4.095 1.00 0.16 N ATOM 749 CA TYR A 49 -13.545 1.449 3.493 1.00 0.17 C ATOM 750 C TYR A 49 -13.029 0.406 4.469 1.00 0.16 C ATOM 751 O TYR A 49 -12.113 -0.340 4.188 1.00 0.16 O ATOM 752 CB TYR A 49 -12.834 1.286 2.141 1.00 0.17 C ATOM 753 CG TYR A 49 -13.358 2.312 1.168 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.628 2.147 0.611 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.585 3.431 0.831 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.131 3.095 -0.284 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.090 4.382 -0.065 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.362 4.213 -0.621 1.00 0.21 C ATOM 759 OH TYR A 49 -14.863 5.150 -1.499 1.00 0.25 O ATOM 0 H TYR A 49 -12.253 2.937 4.312 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.616 1.344 3.318 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.758 1.406 2.268 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.999 0.282 1.750 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.223 1.284 0.873 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.603 3.560 1.261 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.113 2.964 -0.715 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.497 5.246 -0.326 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.204 5.864 -1.626 1.00 0.25 H new ATOM 769 N SER A 50 -13.628 0.353 5.626 1.00 0.17 N ATOM 770 CA SER A 50 -13.196 -0.623 6.652 1.00 0.18 C ATOM 771 C SER A 50 -13.417 -2.022 6.098 1.00 0.19 C ATOM 772 O SER A 50 -12.995 -3.009 6.668 1.00 0.21 O ATOM 773 CB SER A 50 -14.027 -0.418 7.916 1.00 0.20 C ATOM 774 OG SER A 50 -15.353 -0.879 7.684 1.00 0.22 O ATOM 0 H SER A 50 -14.406 0.952 5.903 1.00 0.17 H new ATOM 0 HA SER A 50 -12.143 -0.487 6.898 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.582 -0.960 8.750 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.039 0.637 8.191 1.00 0.20 H new ATOM 0 HG SER A 50 -15.890 -0.751 8.494 1.00 0.22 H new ATOM 780 N ASN A 51 -14.078 -2.108 4.974 1.00 0.20 N ATOM 781 CA ASN A 51 -14.335 -3.434 4.350 1.00 0.23 C ATOM 782 C ASN A 51 -13.175 -3.760 3.410 1.00 0.19 C ATOM 783 O ASN A 51 -13.202 -4.731 2.681 1.00 0.22 O ATOM 784 CB ASN A 51 -15.647 -3.370 3.561 1.00 0.32 C ATOM 785 CG ASN A 51 -16.094 -4.783 3.183 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.406 -5.586 4.041 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.145 -5.122 1.924 1.00 0.27 N ATOM 0 H ASN A 51 -14.452 -1.310 4.460 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.416 -4.207 5.114 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.418 -2.883 4.158 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.512 -2.769 2.662 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.446 -6.060 1.660 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.883 -4.449 1.204 1.00 0.27 H new ATOM 794 N VAL A 52 -12.141 -2.955 3.453 1.00 0.21 N ATOM 795 CA VAL A 52 -10.936 -3.189 2.604 1.00 0.17 C ATOM 796 C VAL A 52 -9.712 -3.188 3.523 1.00 0.13 C ATOM 797 O VAL A 52 -9.707 -2.539 4.551 1.00 0.14 O ATOM 798 CB VAL A 52 -10.809 -2.079 1.547 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.425 -2.147 0.875 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.905 -2.262 0.486 1.00 0.24 C ATOM 0 H VAL A 52 -12.083 -2.132 4.052 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.017 -4.142 2.081 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.922 -1.108 2.029 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.344 -1.357 0.128 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.648 -2.015 1.628 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.302 -3.117 0.393 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.819 -1.477 -0.265 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.791 -3.235 0.009 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.884 -2.204 0.961 1.00 0.24 H new ATOM 810 N ILE A 53 -8.691 -3.938 3.193 1.00 0.11 N ATOM 811 CA ILE A 53 -7.485 -3.998 4.083 1.00 0.09 C ATOM 812 C ILE A 53 -6.382 -3.085 3.532 1.00 0.09 C ATOM 813 O ILE A 53 -5.920 -3.270 2.423 1.00 0.12 O ATOM 814 CB ILE A 53 -6.958 -5.436 4.108 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.111 -6.414 4.388 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.901 -5.572 5.211 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.905 -5.972 5.621 1.00 0.15 C ATOM 0 H ILE A 53 -8.637 -4.510 2.350 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.762 -3.673 5.086 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.515 -5.670 3.140 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.771 -6.464 3.522 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.714 -7.417 4.544 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.525 -6.595 5.230 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.077 -4.886 5.012 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.349 -5.332 6.175 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.717 -6.677 5.803 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.245 -5.946 6.488 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.319 -4.978 5.450 1.00 0.15 H new ATOM 829 N PHE A 54 -5.939 -2.116 4.301 1.00 0.08 N ATOM 830 CA PHE A 54 -4.847 -1.201 3.821 1.00 0.09 C ATOM 831 C PHE A 54 -3.519 -1.568 4.503 1.00 0.09 C ATOM 832 O PHE A 54 -3.424 -1.584 5.712 1.00 0.12 O ATOM 833 CB PHE A 54 -5.189 0.243 4.201 1.00 0.10 C ATOM 834 CG PHE A 54 -6.389 0.725 3.416 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.675 0.307 3.773 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.214 1.605 2.342 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.784 0.768 3.054 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.321 2.062 1.623 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.608 1.644 1.980 1.00 0.10 C ATOM 0 H PHE A 54 -6.285 -1.918 5.240 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.755 -1.303 2.740 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.396 0.305 5.269 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.334 0.890 4.004 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.812 -0.371 4.603 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.221 1.931 2.069 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.777 0.446 3.330 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.184 2.738 0.792 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.464 1.998 1.426 1.00 0.10 H new ATOM 849 N LEU A 55 -2.480 -1.841 3.737 1.00 0.09 N ATOM 850 CA LEU A 55 -1.141 -2.181 4.342 1.00 0.11 C ATOM 851 C LEU A 55 -0.150 -1.047 4.079 1.00 0.10 C ATOM 852 O LEU A 55 -0.136 -0.449 3.021 1.00 0.10 O ATOM 853 CB LEU A 55 -0.553 -3.482 3.747 1.00 0.12 C ATOM 854 CG LEU A 55 -1.246 -4.735 4.315 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.765 -4.582 4.312 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.853 -5.956 3.480 1.00 0.22 C ATOM 0 H LEU A 55 -2.501 -1.843 2.717 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.298 -2.322 5.411 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.661 -3.467 2.662 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.515 -3.529 3.960 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.921 -4.866 5.347 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.222 -5.484 4.719 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.046 -3.725 4.924 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.113 -4.428 3.291 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.343 -6.844 3.881 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.164 -5.805 2.446 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.228 -6.090 3.518 1.00 0.22 H new ATOM 868 N GLU A 56 0.709 -0.783 5.030 1.00 0.12 N ATOM 869 CA GLU A 56 1.748 0.275 4.855 1.00 0.13 C ATOM 870 C GLU A 56 3.096 -0.436 4.813 1.00 0.13 C ATOM 871 O GLU A 56 3.374 -1.279 5.643 1.00 0.14 O ATOM 872 CB GLU A 56 1.710 1.259 6.025 1.00 0.15 C ATOM 873 CG GLU A 56 2.606 2.453 5.696 1.00 0.17 C ATOM 874 CD GLU A 56 2.717 3.379 6.913 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.779 3.419 7.694 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.736 4.037 7.040 1.00 1.05 O ATOM 0 H GLU A 56 0.735 -1.261 5.931 1.00 0.12 H new ATOM 0 HA GLU A 56 1.573 0.843 3.941 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.688 1.593 6.204 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.051 0.772 6.939 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.596 2.105 5.403 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.197 3.002 4.848 1.00 0.17 H new ATOM 883 N VAL A 57 3.916 -0.147 3.832 1.00 0.12 N ATOM 884 CA VAL A 57 5.230 -0.859 3.712 1.00 0.12 C ATOM 885 C VAL A 57 6.397 0.128 3.608 1.00 0.11 C ATOM 886 O VAL A 57 6.323 1.143 2.943 1.00 0.13 O ATOM 887 CB VAL A 57 5.189 -1.725 2.456 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.485 -2.520 2.340 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.015 -2.697 2.557 1.00 0.14 C ATOM 0 H VAL A 57 3.734 0.550 3.110 1.00 0.12 H new ATOM 0 HA VAL A 57 5.386 -1.466 4.604 1.00 0.12 H new ATOM 0 HB VAL A 57 5.072 -1.088 1.579 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.454 -3.138 1.443 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.329 -1.833 2.278 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.600 -3.158 3.216 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.980 -3.319 1.663 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.142 -3.331 3.435 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.085 -2.136 2.646 1.00 0.14 H new ATOM 899 N ASP A 58 7.484 -0.194 4.260 1.00 0.10 N ATOM 900 CA ASP A 58 8.702 0.667 4.228 1.00 0.09 C ATOM 901 C ASP A 58 9.721 0.037 3.277 1.00 0.09 C ATOM 902 O ASP A 58 10.199 -1.054 3.504 1.00 0.09 O ATOM 903 CB ASP A 58 9.297 0.712 5.630 1.00 0.10 C ATOM 904 CG ASP A 58 10.410 1.760 5.680 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.841 2.187 4.622 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.809 2.120 6.774 1.00 1.02 O ATOM 0 H ASP A 58 7.579 -1.037 4.826 1.00 0.10 H new ATOM 0 HA ASP A 58 8.450 1.673 3.893 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.522 0.954 6.357 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.693 -0.267 5.900 1.00 0.10 H new ATOM 911 N VAL A 59 10.080 0.712 2.230 1.00 0.09 N ATOM 912 CA VAL A 59 11.076 0.133 1.291 1.00 0.10 C ATOM 913 C VAL A 59 12.436 0.102 1.976 1.00 0.11 C ATOM 914 O VAL A 59 13.351 -0.544 1.517 1.00 0.12 O ATOM 915 CB VAL A 59 11.169 1.007 0.041 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.813 1.037 -0.669 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.569 2.428 0.446 1.00 0.16 C ATOM 0 H VAL A 59 9.730 1.637 1.981 1.00 0.09 H new ATOM 0 HA VAL A 59 10.772 -0.875 1.009 1.00 0.10 H new ATOM 0 HB VAL A 59 11.918 0.596 -0.636 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.883 1.661 -1.560 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.530 0.024 -0.956 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.059 1.447 0.003 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.636 3.054 -0.443 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.819 2.838 1.123 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.537 2.405 0.947 1.00 0.16 H new ATOM 927 N ASP A 60 12.583 0.819 3.060 1.00 0.10 N ATOM 928 CA ASP A 60 13.896 0.849 3.770 1.00 0.12 C ATOM 929 C ASP A 60 13.926 -0.171 4.917 1.00 0.13 C ATOM 930 O ASP A 60 14.911 -0.854 5.117 1.00 0.15 O ATOM 931 CB ASP A 60 14.090 2.255 4.331 1.00 0.14 C ATOM 932 CG ASP A 60 14.571 3.182 3.215 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.727 3.704 2.505 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.772 3.354 3.090 1.00 1.08 O ATOM 0 H ASP A 60 11.849 1.386 3.485 1.00 0.10 H new ATOM 0 HA ASP A 60 14.694 0.591 3.074 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.153 2.625 4.748 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.816 2.238 5.144 1.00 0.14 H new ATOM 939 N ASP A 61 12.859 -0.287 5.668 1.00 0.13 N ATOM 940 CA ASP A 61 12.837 -1.270 6.802 1.00 0.15 C ATOM 941 C ASP A 61 12.142 -2.540 6.329 1.00 0.14 C ATOM 942 O ASP A 61 12.288 -3.600 6.905 1.00 0.19 O ATOM 943 CB ASP A 61 12.075 -0.676 7.994 1.00 0.16 C ATOM 944 CG ASP A 61 12.823 0.552 8.525 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.893 0.838 8.013 1.00 1.01 O ATOM 946 OD2 ASP A 61 12.311 1.184 9.436 1.00 1.07 O ATOM 0 H ASP A 61 12.003 0.254 5.548 1.00 0.13 H new ATOM 0 HA ASP A 61 13.856 -1.496 7.116 1.00 0.15 H new ATOM 0 HB2 ASP A 61 11.066 -0.396 7.690 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.975 -1.422 8.782 1.00 0.16 H new ATOM 951 N ALA A 62 11.395 -2.432 5.263 1.00 0.11 N ATOM 952 CA ALA A 62 10.682 -3.610 4.689 1.00 0.12 C ATOM 953 C ALA A 62 11.142 -3.755 3.240 1.00 0.11 C ATOM 954 O ALA A 62 10.373 -4.044 2.344 1.00 0.12 O ATOM 955 CB ALA A 62 9.164 -3.390 4.761 1.00 0.14 C ATOM 0 H ALA A 62 11.246 -1.559 4.756 1.00 0.11 H new ATOM 0 HA ALA A 62 10.909 -4.517 5.249 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.651 -4.254 4.340 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.864 -3.261 5.801 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.898 -2.498 4.193 1.00 0.14 H new ATOM 961 N GLN A 63 12.405 -3.525 3.021 1.00 0.11 N ATOM 962 CA GLN A 63 12.978 -3.608 1.653 1.00 0.12 C ATOM 963 C GLN A 63 12.787 -5.017 1.090 1.00 0.12 C ATOM 964 O GLN A 63 12.780 -5.216 -0.104 1.00 0.14 O ATOM 965 CB GLN A 63 14.474 -3.257 1.726 1.00 0.13 C ATOM 966 CG GLN A 63 15.245 -4.327 2.506 1.00 0.15 C ATOM 967 CD GLN A 63 14.732 -4.396 3.946 1.00 0.77 C ATOM 968 OE1 GLN A 63 13.914 -5.354 4.291 1.00 1.47 O flip ATOM 969 NE2 GLN A 63 15.083 -3.571 4.766 1.00 1.43 N flip ATOM 0 H GLN A 63 13.076 -3.278 3.748 1.00 0.11 H new ATOM 0 HA GLN A 63 12.469 -2.906 0.992 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.882 -3.170 0.719 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.602 -2.287 2.207 1.00 0.13 H new ATOM 0 HG2 GLN A 63 15.127 -5.297 2.022 1.00 0.15 H new ATOM 0 HG3 GLN A 63 16.310 -4.096 2.501 1.00 0.15 H new ATOM 0 HE21 GLN A 63 15.722 -2.823 4.496 1.00 1.43 H new ATOM 0 HE22 GLN A 63 14.739 -3.626 5.725 1.00 1.43 H new ATOM 978 N ASP A 64 12.623 -5.996 1.933 1.00 0.13 N ATOM 979 CA ASP A 64 12.424 -7.377 1.426 1.00 0.13 C ATOM 980 C ASP A 64 11.130 -7.434 0.620 1.00 0.15 C ATOM 981 O ASP A 64 11.038 -8.121 -0.378 1.00 0.16 O ATOM 982 CB ASP A 64 12.349 -8.352 2.604 1.00 0.17 C ATOM 983 CG ASP A 64 11.351 -7.843 3.641 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.213 -7.629 3.277 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.743 -7.682 4.784 1.00 1.02 O ATOM 0 H ASP A 64 12.618 -5.899 2.948 1.00 0.13 H new ATOM 0 HA ASP A 64 13.261 -7.658 0.787 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.048 -9.339 2.251 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.334 -8.462 3.058 1.00 0.17 H new ATOM 990 N VAL A 65 10.136 -6.708 1.038 1.00 0.17 N ATOM 991 CA VAL A 65 8.848 -6.713 0.296 1.00 0.22 C ATOM 992 C VAL A 65 8.999 -5.925 -1.003 1.00 0.22 C ATOM 993 O VAL A 65 8.514 -6.315 -2.047 1.00 0.26 O ATOM 994 CB VAL A 65 7.771 -6.026 1.137 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.408 -6.276 0.496 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.789 -6.569 2.572 1.00 0.32 C ATOM 0 H VAL A 65 10.159 -6.109 1.864 1.00 0.17 H new ATOM 0 HA VAL A 65 8.570 -7.745 0.085 1.00 0.22 H new ATOM 0 HB VAL A 65 7.967 -4.954 1.175 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.633 -5.790 1.088 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.401 -5.869 -0.515 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.216 -7.348 0.456 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.017 -6.071 3.159 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.598 -7.642 2.557 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.764 -6.380 3.020 1.00 0.32 H new ATOM 1006 N ALA A 66 9.634 -4.794 -0.924 1.00 0.19 N ATOM 1007 CA ALA A 66 9.792 -3.935 -2.125 1.00 0.22 C ATOM 1008 C ALA A 66 10.799 -4.537 -3.112 1.00 0.23 C ATOM 1009 O ALA A 66 10.615 -4.470 -4.311 1.00 0.26 O ATOM 1010 CB ALA A 66 10.257 -2.548 -1.679 1.00 0.25 C ATOM 0 H ALA A 66 10.054 -4.424 -0.071 1.00 0.19 H new ATOM 0 HA ALA A 66 8.833 -3.863 -2.638 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.377 -1.906 -2.552 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.515 -2.114 -1.009 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.211 -2.634 -1.158 1.00 0.25 H new ATOM 1016 N SER A 67 11.865 -5.109 -2.628 1.00 0.21 N ATOM 1017 CA SER A 67 12.880 -5.691 -3.558 1.00 0.23 C ATOM 1018 C SER A 67 12.239 -6.784 -4.411 1.00 0.23 C ATOM 1019 O SER A 67 12.520 -6.913 -5.588 1.00 0.24 O ATOM 1020 CB SER A 67 14.031 -6.286 -2.744 1.00 0.23 C ATOM 1021 OG SER A 67 13.531 -7.333 -1.921 1.00 0.22 O ATOM 0 H SER A 67 12.080 -5.200 -1.635 1.00 0.21 H new ATOM 0 HA SER A 67 13.260 -4.906 -4.212 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.804 -6.669 -3.411 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.494 -5.514 -2.129 1.00 0.23 H new ATOM 0 HG SER A 67 13.010 -6.950 -1.185 1.00 0.22 H new ATOM 1027 N GLU A 68 11.375 -7.568 -3.836 1.00 0.23 N ATOM 1028 CA GLU A 68 10.711 -8.644 -4.620 1.00 0.25 C ATOM 1029 C GLU A 68 9.854 -8.010 -5.721 1.00 0.22 C ATOM 1030 O GLU A 68 9.738 -8.532 -6.812 1.00 0.24 O ATOM 1031 CB GLU A 68 9.830 -9.477 -3.682 1.00 0.29 C ATOM 1032 CG GLU A 68 9.331 -10.734 -4.403 1.00 0.32 C ATOM 1033 CD GLU A 68 8.226 -10.367 -5.395 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.589 -9.346 -5.195 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.030 -11.120 -6.335 1.00 2.06 O ATOM 0 H GLU A 68 11.099 -7.511 -2.856 1.00 0.23 H new ATOM 0 HA GLU A 68 11.460 -9.290 -5.078 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.396 -9.759 -2.794 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.982 -8.882 -3.344 1.00 0.29 H new ATOM 0 HG2 GLU A 68 10.157 -11.214 -4.928 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.954 -11.454 -3.677 1.00 0.32 H new ATOM 1042 N ALA A 69 9.238 -6.891 -5.431 1.00 0.20 N ATOM 1043 CA ALA A 69 8.368 -6.221 -6.448 1.00 0.20 C ATOM 1044 C ALA A 69 9.192 -5.324 -7.377 1.00 0.19 C ATOM 1045 O ALA A 69 8.651 -4.702 -8.268 1.00 0.20 O ATOM 1046 CB ALA A 69 7.322 -5.359 -5.739 1.00 0.23 C ATOM 0 H ALA A 69 9.300 -6.411 -4.533 1.00 0.20 H new ATOM 0 HA ALA A 69 7.886 -6.998 -7.042 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.689 -4.872 -6.481 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.708 -5.988 -5.095 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.823 -4.602 -5.136 1.00 0.23 H new ATOM 1052 N GLU A 70 10.481 -5.237 -7.184 1.00 0.18 N ATOM 1053 CA GLU A 70 11.293 -4.356 -8.079 1.00 0.18 C ATOM 1054 C GLU A 70 10.718 -2.946 -8.074 1.00 0.17 C ATOM 1055 O GLU A 70 10.479 -2.368 -9.117 1.00 0.18 O ATOM 1056 CB GLU A 70 11.291 -4.867 -9.524 1.00 0.22 C ATOM 1057 CG GLU A 70 11.881 -6.271 -9.596 1.00 0.24 C ATOM 1058 CD GLU A 70 13.351 -6.230 -9.173 1.00 1.24 C ATOM 1059 OE1 GLU A 70 13.943 -5.166 -9.257 1.00 2.02 O ATOM 1060 OE2 GLU A 70 13.860 -7.262 -8.769 1.00 2.02 O ATOM 0 H GLU A 70 11.002 -5.728 -6.458 1.00 0.18 H new ATOM 0 HA GLU A 70 12.315 -4.360 -7.701 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.272 -4.874 -9.912 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.868 -4.191 -10.156 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.323 -6.945 -8.946 1.00 0.24 H new ATOM 0 HG3 GLU A 70 11.794 -6.662 -10.610 1.00 0.24 H new ATOM 1067 N VAL A 71 10.474 -2.378 -6.931 1.00 0.15 N ATOM 1068 CA VAL A 71 9.895 -1.014 -6.933 1.00 0.14 C ATOM 1069 C VAL A 71 10.920 -0.061 -7.533 1.00 0.14 C ATOM 1070 O VAL A 71 12.078 -0.067 -7.164 1.00 0.16 O ATOM 1071 CB VAL A 71 9.575 -0.577 -5.508 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.824 0.755 -5.557 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.708 -1.643 -4.828 1.00 0.15 C ATOM 0 H VAL A 71 10.646 -2.789 -6.014 1.00 0.15 H new ATOM 0 HA VAL A 71 8.975 -1.005 -7.517 1.00 0.14 H new ATOM 0 HB VAL A 71 10.496 -0.456 -4.938 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.589 1.078 -4.543 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.447 1.506 -6.042 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.900 0.631 -6.121 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.479 -1.330 -3.809 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.780 -1.768 -5.386 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.247 -2.590 -4.805 1.00 0.15 H new ATOM 1083 N LYS A 72 10.504 0.741 -8.476 1.00 0.15 N ATOM 1084 CA LYS A 72 11.444 1.689 -9.133 1.00 0.16 C ATOM 1085 C LYS A 72 11.245 3.106 -8.576 1.00 0.15 C ATOM 1086 O LYS A 72 12.062 3.980 -8.792 1.00 0.16 O ATOM 1087 CB LYS A 72 11.189 1.670 -10.644 1.00 0.19 C ATOM 1088 CG LYS A 72 11.427 0.246 -11.196 1.00 0.23 C ATOM 1089 CD LYS A 72 11.709 0.315 -12.703 1.00 0.74 C ATOM 1090 CE LYS A 72 11.858 -1.101 -13.268 1.00 0.88 C ATOM 1091 NZ LYS A 72 12.166 -1.024 -14.726 1.00 1.60 N ATOM 0 H LYS A 72 9.545 0.779 -8.821 1.00 0.15 H new ATOM 0 HA LYS A 72 12.472 1.386 -8.932 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.167 1.985 -10.854 1.00 0.19 H new ATOM 0 HB3 LYS A 72 11.850 2.379 -11.143 1.00 0.19 H new ATOM 0 HG2 LYS A 72 12.267 -0.219 -10.680 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.553 -0.378 -11.008 1.00 0.23 H new ATOM 0 HD2 LYS A 72 10.897 0.836 -13.211 1.00 0.74 H new ATOM 0 HD3 LYS A 72 12.618 0.887 -12.886 1.00 0.74 H new ATOM 0 HE2 LYS A 72 12.654 -1.631 -12.745 1.00 0.88 H new ATOM 0 HE3 LYS A 72 10.940 -1.666 -13.109 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 12.267 -1.985 -15.111 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 11.393 -0.534 -15.219 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.053 -0.500 -14.866 1.00 1.60 H new ATOM 1105 N ALA A 73 10.181 3.348 -7.850 1.00 0.13 N ATOM 1106 CA ALA A 73 9.977 4.717 -7.286 1.00 0.13 C ATOM 1107 C ALA A 73 8.926 4.695 -6.167 1.00 0.11 C ATOM 1108 O ALA A 73 8.075 3.836 -6.123 1.00 0.12 O ATOM 1109 CB ALA A 73 9.521 5.664 -8.394 1.00 0.14 C ATOM 0 H ALA A 73 9.455 2.667 -7.626 1.00 0.13 H new ATOM 0 HA ALA A 73 10.922 5.063 -6.868 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.373 6.662 -7.981 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.281 5.703 -9.175 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.584 5.304 -8.818 1.00 0.14 H new ATOM 1115 N THR A 74 8.974 5.660 -5.274 1.00 0.11 N ATOM 1116 CA THR A 74 7.974 5.740 -4.154 1.00 0.11 C ATOM 1117 C THR A 74 7.403 7.170 -4.125 1.00 0.12 C ATOM 1118 O THR A 74 8.080 8.092 -4.522 1.00 0.15 O ATOM 1119 CB THR A 74 8.690 5.442 -2.818 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.583 6.500 -2.518 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.458 4.123 -2.903 1.00 0.14 C ATOM 0 H THR A 74 9.671 6.404 -5.273 1.00 0.11 H new ATOM 0 HA THR A 74 7.171 5.017 -4.301 1.00 0.11 H new ATOM 0 HB THR A 74 7.944 5.356 -2.028 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.037 6.314 -1.670 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.956 3.930 -1.953 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.764 3.311 -3.121 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.203 4.186 -3.696 1.00 0.14 H new ATOM 1129 N PRO A 75 6.200 7.390 -3.623 1.00 0.13 N ATOM 1130 CA PRO A 75 5.301 6.309 -3.111 1.00 0.10 C ATOM 1131 C PRO A 75 4.660 5.493 -4.245 1.00 0.09 C ATOM 1132 O PRO A 75 4.321 6.023 -5.285 1.00 0.10 O ATOM 1133 CB PRO A 75 4.241 7.124 -2.343 1.00 0.12 C ATOM 1134 CG PRO A 75 4.288 8.567 -2.869 1.00 0.15 C ATOM 1135 CD PRO A 75 5.655 8.778 -3.543 1.00 0.16 C ATOM 0 HA PRO A 75 5.822 5.564 -2.509 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.249 6.696 -2.490 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.443 7.101 -1.272 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.481 8.741 -3.580 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.151 9.276 -2.052 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.554 9.231 -4.529 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.299 9.433 -2.956 1.00 0.16 H new ATOM 1143 N THR A 76 4.471 4.214 -4.032 1.00 0.09 N ATOM 1144 CA THR A 76 3.824 3.346 -5.071 1.00 0.09 C ATOM 1145 C THR A 76 2.715 2.547 -4.411 1.00 0.10 C ATOM 1146 O THR A 76 2.870 2.036 -3.321 1.00 0.12 O ATOM 1147 CB THR A 76 4.842 2.386 -5.692 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.875 3.138 -6.303 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.152 1.517 -6.751 1.00 0.13 C ATOM 0 H THR A 76 4.739 3.728 -3.176 1.00 0.09 H new ATOM 0 HA THR A 76 3.423 3.978 -5.864 1.00 0.09 H new ATOM 0 HB THR A 76 5.260 1.745 -4.916 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.643 3.191 -5.697 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.879 0.835 -7.192 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.351 0.943 -6.285 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.735 2.155 -7.530 1.00 0.13 H new ATOM 1157 N PHE A 77 1.588 2.461 -5.050 1.00 0.10 N ATOM 1158 CA PHE A 77 0.441 1.709 -4.468 1.00 0.10 C ATOM 1159 C PHE A 77 0.216 0.428 -5.272 1.00 0.10 C ATOM 1160 O PHE A 77 0.113 0.464 -6.481 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.797 2.598 -4.550 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.537 3.865 -3.770 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.856 3.930 -2.407 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.027 4.978 -4.411 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.611 5.109 -1.686 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.272 6.157 -3.689 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.047 6.222 -2.325 1.00 0.19 C ATOM 0 H PHE A 77 1.407 2.883 -5.961 1.00 0.10 H new ATOM 0 HA PHE A 77 0.642 1.442 -3.431 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.024 2.834 -5.590 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.664 2.076 -4.145 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.290 3.074 -1.912 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.273 4.928 -5.461 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.858 5.159 -0.636 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.706 7.013 -4.184 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.141 7.128 -1.768 1.00 0.19 H new ATOM 1177 N GLN A 78 0.123 -0.704 -4.612 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.106 -1.998 -5.333 1.00 0.09 C ATOM 1179 C GLN A 78 -1.380 -2.632 -4.802 1.00 0.08 C ATOM 1180 O GLN A 78 -1.638 -2.633 -3.614 1.00 0.09 O ATOM 1181 CB GLN A 78 1.076 -2.946 -5.096 1.00 0.09 C ATOM 1182 CG GLN A 78 2.307 -2.412 -5.834 1.00 0.12 C ATOM 1183 CD GLN A 78 3.476 -3.391 -5.698 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.277 -4.579 -5.540 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.699 -2.937 -5.761 1.00 0.29 N ATOM 0 H GLN A 78 0.197 -0.787 -3.598 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.198 -1.811 -6.403 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.284 -3.027 -4.029 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.831 -3.947 -5.450 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.071 -2.262 -6.887 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.589 -1.440 -5.429 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.867 -1.940 -5.894 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.487 -3.580 -5.678 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.186 -3.161 -5.679 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.471 -3.794 -5.244 1.00 0.07 C ATOM 1196 C PHE A 79 -3.361 -5.302 -5.309 1.00 0.07 C ATOM 1197 O PHE A 79 -2.899 -5.856 -6.281 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.591 -3.325 -6.164 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.755 -1.852 -5.956 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.875 -0.970 -6.580 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.758 -1.369 -5.112 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.998 0.401 -6.370 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.880 0.005 -4.893 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.000 0.892 -5.523 1.00 0.12 C ATOM 0 H PHE A 79 -2.013 -3.184 -6.684 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.686 -3.503 -4.216 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.348 -3.541 -7.205 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.519 -3.850 -5.937 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.098 -1.350 -7.226 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.437 -2.056 -4.630 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.321 1.085 -6.860 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.652 0.382 -4.239 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.093 1.955 -5.356 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.803 -5.965 -4.274 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.756 -7.454 -4.232 1.00 0.08 C ATOM 1216 C PHE A 80 -5.144 -7.995 -3.895 1.00 0.09 C ATOM 1217 O PHE A 80 -5.873 -7.415 -3.114 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.754 -7.907 -3.167 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.336 -7.640 -3.626 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.640 -8.630 -4.334 1.00 0.12 C ATOM 1221 CD2 PHE A 80 -0.702 -6.424 -3.319 1.00 0.11 C ATOM 1222 CE1 PHE A 80 0.683 -8.410 -4.731 1.00 0.14 C ATOM 1223 CE2 PHE A 80 0.621 -6.206 -3.726 1.00 0.13 C ATOM 1224 CZ PHE A 80 1.314 -7.198 -4.428 1.00 0.15 C ATOM 0 H PHE A 80 -4.201 -5.529 -3.442 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.443 -7.836 -5.204 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.945 -7.380 -2.232 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.883 -8.970 -2.966 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.126 -9.564 -4.573 1.00 0.12 H new ATOM 0 HD2 PHE A 80 -1.233 -5.660 -2.771 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.218 -9.176 -5.272 1.00 0.14 H new ATOM 0 HE2 PHE A 80 1.107 -5.269 -3.497 1.00 0.13 H new ATOM 0 HZ PHE A 80 2.335 -7.029 -4.736 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.514 -9.110 -4.472 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.855 -9.697 -4.180 1.00 0.12 C ATOM 1236 C LYS A 81 -6.720 -11.221 -4.223 1.00 0.11 C ATOM 1237 O LYS A 81 -6.202 -11.774 -5.169 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.854 -9.235 -5.247 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.278 -9.563 -4.788 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.249 -9.470 -5.972 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.444 -8.006 -6.373 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.579 -7.902 -7.330 1.00 1.68 N ATOM 0 H LYS A 81 -4.945 -9.639 -5.133 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.211 -9.377 -3.201 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.753 -8.163 -5.416 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.643 -9.728 -6.196 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.309 -10.565 -4.361 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.583 -8.872 -4.002 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.861 -10.039 -6.817 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.208 -9.913 -5.703 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.642 -7.399 -5.490 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.533 -7.618 -6.829 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.713 -6.907 -7.603 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.372 -8.469 -8.177 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.447 -8.257 -6.879 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.147 -11.894 -3.188 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.021 -13.386 -3.137 1.00 0.13 C ATOM 1258 C LYS A 82 -5.539 -13.744 -3.242 1.00 0.13 C ATOM 1259 O LYS A 82 -5.177 -14.791 -3.738 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.782 -14.069 -4.285 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.286 -13.821 -4.147 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.060 -14.870 -4.947 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.530 -14.460 -5.002 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.320 -15.499 -5.720 1.00 1.22 N ATOM 0 H LYS A 82 -7.582 -11.473 -2.367 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.452 -13.736 -2.199 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.430 -13.686 -5.243 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.581 -15.140 -4.277 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.576 -13.864 -3.097 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.533 -12.822 -4.505 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.653 -14.952 -5.955 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.959 -15.850 -4.481 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.918 -14.329 -3.992 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.630 -13.500 -5.509 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.319 -15.213 -5.754 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.957 -15.603 -6.689 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.236 -16.407 -5.219 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.680 -12.873 -2.792 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.221 -13.152 -2.875 1.00 0.16 C ATOM 1280 C GLY A 83 -2.736 -12.948 -4.313 1.00 0.16 C ATOM 1281 O GLY A 83 -1.719 -13.487 -4.707 1.00 0.23 O ATOM 0 H GLY A 83 -4.927 -11.978 -2.369 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.676 -12.492 -2.200 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.018 -14.174 -2.554 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.452 -12.171 -5.104 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.031 -11.929 -6.528 1.00 0.15 C ATOM 1287 C GLN A 84 -2.972 -10.423 -6.826 1.00 0.12 C ATOM 1288 O GLN A 84 -3.852 -9.681 -6.462 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.042 -12.579 -7.486 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.981 -14.107 -7.381 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.690 -14.609 -8.022 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -1.862 -13.744 -8.536 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -2.433 -15.796 -8.055 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.309 -11.695 -4.823 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.042 -12.365 -6.670 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.048 -12.233 -7.250 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.831 -12.271 -8.510 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.023 -14.412 -6.336 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.843 -14.551 -7.878 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.084 -16.470 -7.652 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.567 -16.118 -8.486 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.949 -9.977 -7.520 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.832 -8.518 -7.865 1.00 0.12 C ATOM 1304 C LYS A 85 -2.703 -8.203 -9.082 1.00 0.14 C ATOM 1305 O LYS A 85 -2.591 -8.838 -10.111 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.369 -8.197 -8.187 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.196 -6.695 -8.462 1.00 0.20 C ATOM 1308 CD LYS A 85 1.238 -6.417 -8.937 1.00 0.28 C ATOM 1309 CE LYS A 85 2.241 -6.665 -7.804 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.535 -8.123 -7.707 1.00 1.82 N ATOM 0 H LYS A 85 -1.187 -10.561 -7.864 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.166 -7.915 -7.021 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.267 -8.496 -7.354 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.047 -8.771 -9.056 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.910 -6.370 -9.219 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.407 -6.123 -7.558 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.476 -7.057 -9.787 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.319 -5.386 -9.282 1.00 0.28 H new ATOM 0 HE2 LYS A 85 3.160 -6.110 -7.991 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.835 -6.302 -6.860 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.131 -8.501 -6.826 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.115 -8.617 -8.520 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.565 -8.270 -7.706 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.573 -7.225 -8.966 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.464 -6.851 -10.110 1.00 0.18 C ATOM 1326 C VAL A 86 -4.283 -5.368 -10.467 1.00 0.17 C ATOM 1327 O VAL A 86 -5.023 -4.831 -11.267 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.922 -7.100 -9.713 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.159 -8.602 -9.502 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.226 -6.347 -8.414 1.00 0.26 C ATOM 0 H VAL A 86 -3.704 -6.667 -8.122 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.202 -7.457 -10.977 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.578 -6.745 -10.508 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.198 -8.770 -9.220 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.943 -9.138 -10.426 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.505 -8.966 -8.710 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.263 -6.521 -8.127 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.566 -6.704 -7.624 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.066 -5.280 -8.566 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.317 -4.691 -9.894 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.144 -3.247 -10.250 1.00 0.17 C ATOM 1342 C GLY A 87 -1.973 -2.611 -9.495 1.00 0.12 C ATOM 1343 O GLY A 87 -1.578 -3.054 -8.435 1.00 0.17 O ATOM 0 H GLY A 87 -2.656 -5.063 -9.212 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -2.977 -3.155 -11.323 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.061 -2.704 -10.022 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.430 -1.559 -10.050 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.292 -0.846 -9.404 1.00 0.13 C ATOM 1349 C GLU A 88 -0.094 0.508 -10.076 1.00 0.11 C ATOM 1350 O GLU A 88 -0.324 0.663 -11.259 1.00 0.14 O ATOM 1351 CB GLU A 88 0.989 -1.690 -9.533 1.00 0.21 C ATOM 1352 CG GLU A 88 2.226 -0.877 -9.109 1.00 0.58 C ATOM 1353 CD GLU A 88 2.674 0.048 -10.252 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.155 -0.096 -11.347 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.527 0.885 -10.008 1.00 1.93 O ATOM 0 H GLU A 88 -1.733 -1.159 -10.938 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.511 -0.693 -8.347 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.905 -2.583 -8.913 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.105 -2.027 -10.563 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.995 -0.286 -8.223 1.00 0.58 H new ATOM 0 HG3 GLU A 88 3.038 -1.552 -8.839 1.00 0.58 H new ATOM 1362 N PHE A 89 0.369 1.484 -9.343 1.00 0.10 N ATOM 1363 CA PHE A 89 0.620 2.811 -9.977 1.00 0.09 C ATOM 1364 C PHE A 89 1.508 3.655 -9.059 1.00 0.10 C ATOM 1365 O PHE A 89 1.625 3.387 -7.880 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.700 3.537 -10.257 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.338 4.038 -8.980 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.878 5.228 -8.407 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.403 3.344 -8.393 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.483 5.732 -7.249 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.004 3.845 -7.227 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.545 5.041 -6.659 1.00 0.14 C ATOM 0 H PHE A 89 0.582 1.423 -8.347 1.00 0.10 H new ATOM 0 HA PHE A 89 1.128 2.658 -10.929 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.520 4.376 -10.929 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.387 2.862 -10.768 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.054 5.760 -8.859 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.761 2.426 -8.836 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.129 6.654 -6.812 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.821 3.308 -6.768 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.012 5.429 -5.766 1.00 0.14 H new ATOM 1382 N SER A 90 2.142 4.668 -9.599 1.00 0.10 N ATOM 1383 CA SER A 90 3.043 5.541 -8.783 1.00 0.10 C ATOM 1384 C SER A 90 2.613 6.994 -8.915 1.00 0.09 C ATOM 1385 O SER A 90 1.885 7.364 -9.816 1.00 0.11 O ATOM 1386 CB SER A 90 4.484 5.419 -9.277 1.00 0.11 C ATOM 1387 OG SER A 90 4.549 5.822 -10.639 1.00 0.12 O ATOM 0 H SER A 90 2.072 4.930 -10.582 1.00 0.10 H new ATOM 0 HA SER A 90 2.980 5.223 -7.742 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.143 6.040 -8.670 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.831 4.391 -9.173 1.00 0.11 H new ATOM 0 HG SER A 90 5.472 5.747 -10.959 1.00 0.12 H new ATOM 1393 N GLY A 91 3.066 7.821 -8.012 1.00 0.09 N ATOM 1394 CA GLY A 91 2.707 9.270 -8.044 1.00 0.09 C ATOM 1395 C GLY A 91 1.976 9.632 -6.757 1.00 0.10 C ATOM 1396 O GLY A 91 1.136 8.896 -6.279 1.00 0.12 O ATOM 0 H GLY A 91 3.678 7.551 -7.242 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.606 9.878 -8.149 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.076 9.482 -8.907 1.00 0.09 H new ATOM 1400 N ALA A 92 2.293 10.756 -6.182 1.00 0.11 N ATOM 1401 CA ALA A 92 1.625 11.154 -4.917 1.00 0.14 C ATOM 1402 C ALA A 92 0.204 11.658 -5.203 1.00 0.13 C ATOM 1403 O ALA A 92 -0.092 12.820 -5.007 1.00 0.17 O ATOM 1404 CB ALA A 92 2.440 12.279 -4.268 1.00 0.18 C ATOM 0 H ALA A 92 2.986 11.416 -6.534 1.00 0.11 H new ATOM 0 HA ALA A 92 1.565 10.294 -4.251 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.963 12.583 -3.337 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.449 11.923 -4.059 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.489 13.131 -4.946 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.687 10.786 -5.633 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.103 11.204 -5.892 1.00 0.14 C ATOM 1412 C ASN A 93 -3.016 10.395 -4.974 1.00 0.13 C ATOM 1413 O ASN A 93 -3.309 9.244 -5.229 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.482 10.944 -7.345 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.866 11.541 -7.592 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.858 11.043 -7.105 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.970 12.620 -8.310 1.00 0.75 N ATOM 0 H ASN A 93 -0.490 9.802 -5.815 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.210 12.271 -5.697 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.749 11.393 -8.015 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.488 9.874 -7.551 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.885 13.045 -8.462 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.137 13.041 -8.721 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.441 10.980 -3.896 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.307 10.251 -2.928 1.00 0.15 C ATOM 1426 C LYS A 94 -5.720 9.985 -3.489 1.00 0.15 C ATOM 1427 O LYS A 94 -6.315 8.961 -3.213 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.398 11.094 -1.658 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.869 12.539 -1.984 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.700 13.535 -1.905 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.260 14.955 -1.927 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.143 15.941 -1.973 1.00 1.06 N ATOM 0 H LYS A 94 -3.225 11.943 -3.638 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.865 9.276 -2.724 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.093 10.630 -0.958 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.425 11.126 -1.168 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.306 12.566 -2.982 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.651 12.836 -1.285 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.125 13.370 -0.994 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -3.019 13.385 -2.743 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.908 15.086 -2.794 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.872 15.127 -1.042 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.532 16.906 -1.988 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.541 15.823 -1.133 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.576 15.783 -2.830 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.262 10.876 -4.274 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.628 10.652 -4.837 1.00 0.15 C ATOM 1448 C GLU A 95 -7.608 9.428 -5.761 1.00 0.15 C ATOM 1449 O GLU A 95 -8.594 8.735 -5.926 1.00 0.16 O ATOM 1450 CB GLU A 95 -8.057 11.883 -5.632 1.00 0.17 C ATOM 1451 CG GLU A 95 -8.102 13.107 -4.714 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.254 12.965 -3.716 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.229 12.312 -4.052 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.139 13.512 -2.631 1.00 1.55 O ATOM 0 H GLU A 95 -5.818 11.752 -4.551 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.332 10.480 -4.023 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.360 12.058 -6.452 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -9.038 11.715 -6.077 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -7.157 13.208 -4.180 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.232 14.013 -5.306 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.484 9.181 -6.375 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.347 8.023 -7.307 1.00 0.15 C ATOM 1463 C LYS A 96 -6.631 6.740 -6.544 1.00 0.14 C ATOM 1464 O LYS A 96 -7.247 5.821 -7.047 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.908 8.006 -7.827 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.738 7.001 -8.977 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.441 7.323 -9.766 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.757 8.222 -10.969 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.330 9.511 -10.493 1.00 1.45 N ATOM 0 H LYS A 96 -5.639 9.742 -6.269 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.047 8.107 -8.139 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.632 9.003 -8.170 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.229 7.749 -7.014 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.692 5.986 -8.582 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.600 7.046 -9.642 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.723 7.818 -9.112 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.976 6.398 -10.107 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -2.851 8.406 -11.546 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.462 7.723 -11.634 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -4.401 10.175 -11.290 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -5.276 9.344 -10.095 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -3.713 9.916 -9.760 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.189 6.676 -5.326 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.431 5.461 -4.512 1.00 0.13 C ATOM 1485 C LEU A 97 -7.930 5.215 -4.426 1.00 0.14 C ATOM 1486 O LEU A 97 -8.399 4.096 -4.467 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.927 5.705 -3.084 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.396 5.678 -3.029 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.928 6.346 -1.724 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.884 4.211 -3.089 1.00 0.19 C ATOM 0 H LEU A 97 -5.668 7.416 -4.856 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.919 4.613 -4.967 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.290 6.668 -2.726 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.332 4.944 -2.417 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.992 6.221 -3.883 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.839 6.331 -1.678 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.278 7.378 -1.698 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.335 5.803 -0.871 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.795 4.204 -3.049 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.282 3.652 -2.242 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.216 3.747 -4.018 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.677 6.260 -4.279 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.152 6.103 -4.142 1.00 0.15 C ATOM 1504 C GLU A 98 -10.749 5.483 -5.411 1.00 0.16 C ATOM 1505 O GLU A 98 -11.624 4.644 -5.345 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.778 7.482 -3.879 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.270 7.336 -3.553 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.061 7.025 -4.826 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.596 7.393 -5.891 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.117 6.424 -4.712 1.00 2.10 O ATOM 0 H GLU A 98 -8.336 7.221 -4.247 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.368 5.436 -3.307 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.264 7.970 -3.051 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.651 8.120 -4.754 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.414 6.540 -2.823 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.642 8.255 -3.100 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.303 5.901 -6.561 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.873 5.350 -7.831 1.00 0.17 C ATOM 1519 C ALA A 99 -10.507 3.875 -8.028 1.00 0.16 C ATOM 1520 O ALA A 99 -11.334 3.078 -8.421 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.358 6.172 -9.014 1.00 0.19 C ATOM 0 H ALA A 99 -9.569 6.599 -6.682 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.959 5.415 -7.770 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.771 5.774 -9.941 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.666 7.211 -8.897 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.270 6.118 -9.049 1.00 0.19 H new ATOM 1527 N THR A 100 -9.287 3.497 -7.789 1.00 0.16 N ATOM 1528 CA THR A 100 -8.921 2.069 -8.003 1.00 0.16 C ATOM 1529 C THR A 100 -9.688 1.186 -7.013 1.00 0.15 C ATOM 1530 O THR A 100 -10.151 0.117 -7.352 1.00 0.15 O ATOM 1531 CB THR A 100 -7.416 1.885 -7.806 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.722 2.858 -8.574 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.012 0.487 -8.280 1.00 0.20 C ATOM 0 H THR A 100 -8.535 4.102 -7.460 1.00 0.16 H new ATOM 0 HA THR A 100 -9.185 1.779 -9.020 1.00 0.16 H new ATOM 0 HB THR A 100 -7.166 2.002 -6.751 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.756 2.745 -8.450 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.939 0.352 -8.141 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.550 -0.263 -7.701 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.258 0.376 -9.336 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.834 1.627 -5.796 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.575 0.808 -4.790 1.00 0.13 C ATOM 1543 C ILE A 101 -12.009 0.610 -5.276 1.00 0.14 C ATOM 1544 O ILE A 101 -12.513 -0.489 -5.326 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.579 1.554 -3.452 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.159 1.558 -2.872 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.529 0.858 -2.471 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.033 2.655 -1.815 1.00 0.16 C ATOM 0 H ILE A 101 -9.474 2.517 -5.452 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.097 -0.163 -4.663 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.916 2.579 -3.610 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.934 0.587 -2.430 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.432 1.722 -3.668 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.527 1.393 -1.521 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.538 0.853 -2.883 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.198 -0.168 -2.310 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.022 2.653 -1.407 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.238 3.624 -2.270 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.748 2.472 -1.013 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.653 1.675 -5.653 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.043 1.575 -6.170 1.00 0.20 C ATOM 1562 C ASN A 102 -14.031 0.686 -7.407 1.00 0.19 C ATOM 1563 O ASN A 102 -14.964 -0.032 -7.694 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.542 2.968 -6.554 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.003 2.896 -6.992 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.333 2.237 -7.960 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.898 3.566 -6.321 1.00 0.55 N ATOM 0 H ASN A 102 -12.272 2.621 -5.625 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.700 1.154 -5.408 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.441 3.646 -5.707 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.931 3.373 -7.361 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.877 3.538 -6.607 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.620 4.118 -5.510 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.973 0.763 -8.157 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.871 -0.037 -9.403 1.00 0.18 C ATOM 1576 C GLU A 103 -12.768 -1.528 -9.055 1.00 0.16 C ATOM 1577 O GLU A 103 -13.317 -2.368 -9.740 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.606 0.400 -10.151 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.601 -0.188 -11.569 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.336 -1.692 -11.510 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.261 -2.065 -11.072 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.212 -2.445 -11.903 1.00 2.21 O ATOM 0 H GLU A 103 -12.165 1.353 -7.958 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.754 0.121 -10.023 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.561 1.488 -10.200 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.721 0.068 -9.608 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.559 0.002 -12.054 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.836 0.301 -12.172 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.051 -1.864 -8.008 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.891 -3.310 -7.623 1.00 0.14 C ATOM 1591 C LEU A 104 -12.798 -3.683 -6.442 1.00 0.13 C ATOM 1592 O LEU A 104 -12.787 -4.811 -5.990 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.437 -3.574 -7.206 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.473 -3.362 -8.381 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.039 -3.420 -7.853 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.671 -4.460 -9.445 1.00 0.25 C ATOM 0 H LEU A 104 -11.568 -1.201 -7.401 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.166 -3.912 -8.489 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.165 -2.910 -6.386 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.342 -4.594 -6.835 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.671 -2.393 -8.840 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.341 -3.271 -8.677 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.894 -2.637 -7.108 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.858 -4.393 -7.396 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.980 -4.295 -10.271 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.478 -5.436 -9.000 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.695 -4.426 -9.817 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.568 -2.770 -5.918 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.435 -3.133 -4.757 1.00 0.15 C ATOM 1610 C VAL A 105 -15.511 -4.121 -5.220 1.00 0.16 C ATOM 1611 O VAL A 105 -15.988 -3.966 -6.331 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.103 -1.877 -4.174 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.218 -1.389 -5.109 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.697 -2.210 -2.801 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.837 -5.015 -4.455 1.00 1.08 O ATOM 0 H VAL A 105 -13.636 -1.803 -6.235 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.820 -3.592 -3.983 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.356 -1.090 -4.072 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.684 -0.499 -4.686 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.795 -1.148 -6.085 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.967 -2.172 -5.221 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.172 -1.321 -2.385 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.439 -3.001 -2.908 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.904 -2.544 -2.133 1.00 0.19 H new ATOM 1683 N LYS B 63 6.963 15.057 -5.841 1.00 0.19 N ATOM 1684 CA LYS B 63 5.816 14.108 -5.802 1.00 0.14 C ATOM 1685 C LYS B 63 6.344 12.670 -5.722 1.00 0.12 C ATOM 1686 O LYS B 63 5.626 11.760 -5.350 1.00 0.12 O ATOM 1687 CB LYS B 63 4.985 14.265 -7.081 1.00 0.17 C ATOM 1688 CG LYS B 63 4.433 15.696 -7.201 1.00 0.20 C ATOM 1689 CD LYS B 63 3.585 16.057 -5.969 1.00 0.40 C ATOM 1690 CE LYS B 63 2.607 17.186 -6.318 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.725 17.458 -5.148 1.00 1.31 N ATOM 0 HA LYS B 63 5.198 14.321 -4.930 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.600 14.033 -7.951 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.161 13.552 -7.075 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.258 16.402 -7.301 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.828 15.783 -8.103 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.035 15.181 -5.627 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.233 16.367 -5.149 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.157 18.087 -6.590 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.006 16.906 -7.183 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.062 18.223 -5.384 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.191 16.598 -4.909 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.306 17.742 -4.334 1.00 1.31 H new ATOM 1705 N ILE B 64 7.584 12.463 -6.106 1.00 0.11 N ATOM 1706 CA ILE B 64 8.193 11.085 -6.082 1.00 0.11 C ATOM 1707 C ILE B 64 9.558 11.123 -5.369 1.00 0.10 C ATOM 1708 O ILE B 64 10.339 12.033 -5.567 1.00 0.11 O ATOM 1709 CB ILE B 64 8.408 10.612 -7.529 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.059 10.389 -8.229 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.217 9.310 -7.556 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.214 9.333 -7.490 1.00 0.15 C ATOM 0 H ILE B 64 8.209 13.197 -6.439 1.00 0.11 H new ATOM 0 HA ILE B 64 7.525 10.407 -5.551 1.00 0.11 H new ATOM 0 HB ILE B 64 8.962 11.388 -8.058 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.511 11.330 -8.275 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.229 10.068 -9.257 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.359 8.991 -8.589 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.189 9.476 -7.091 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.679 8.536 -7.008 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.265 9.197 -8.010 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.754 8.386 -7.467 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.024 9.667 -6.470 1.00 0.15 H new ATOM 1724 N CYS B 65 9.873 10.124 -4.572 1.00 0.09 N ATOM 1725 CA CYS B 65 11.215 10.091 -3.897 1.00 0.10 C ATOM 1726 C CYS B 65 12.125 9.172 -4.731 1.00 0.10 C ATOM 1727 O CYS B 65 11.781 8.039 -5.004 1.00 0.11 O ATOM 1728 CB CYS B 65 11.104 9.525 -2.468 1.00 0.10 C ATOM 1729 SG CYS B 65 9.894 10.463 -1.494 1.00 0.19 S ATOM 0 H CYS B 65 9.263 9.335 -4.361 1.00 0.09 H new ATOM 0 HA CYS B 65 11.616 11.102 -3.828 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.809 8.476 -2.509 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.078 9.563 -1.980 1.00 0.10 H new ATOM 1734 N SER B 66 13.262 9.653 -5.165 1.00 0.12 N ATOM 1735 CA SER B 66 14.159 8.800 -6.014 1.00 0.14 C ATOM 1736 C SER B 66 14.933 7.778 -5.168 1.00 0.14 C ATOM 1737 O SER B 66 15.399 8.065 -4.080 1.00 0.15 O ATOM 1738 CB SER B 66 15.169 9.690 -6.743 1.00 0.18 C ATOM 1739 OG SER B 66 14.472 10.599 -7.583 1.00 0.20 O ATOM 0 H SER B 66 13.610 10.592 -4.972 1.00 0.12 H new ATOM 0 HA SER B 66 13.531 8.263 -6.724 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.777 10.236 -6.022 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.850 9.078 -7.335 1.00 0.18 H new ATOM 0 HG SER B 66 15.115 11.172 -8.050 1.00 0.20 H new ATOM 1745 N TRP B 67 15.098 6.584 -5.687 1.00 0.15 N ATOM 1746 CA TRP B 67 15.859 5.538 -4.943 1.00 0.16 C ATOM 1747 C TRP B 67 17.352 5.832 -5.047 1.00 0.19 C ATOM 1748 O TRP B 67 18.163 5.229 -4.373 1.00 0.21 O ATOM 1749 CB TRP B 67 15.578 4.151 -5.549 1.00 0.16 C ATOM 1750 CG TRP B 67 14.171 3.758 -5.238 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.084 4.470 -5.590 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.675 2.583 -4.524 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.959 3.824 -5.134 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.271 2.660 -4.468 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.295 1.474 -3.921 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.514 1.684 -3.838 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.531 0.484 -3.289 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.142 0.593 -3.245 1.00 0.16 C ATOM 0 H TRP B 67 14.737 6.292 -6.595 1.00 0.15 H new ATOM 0 HA TRP B 67 15.548 5.546 -3.898 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.732 4.174 -6.628 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.272 3.415 -5.143 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.094 5.399 -6.141 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.008 4.166 -5.272 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.371 1.385 -3.945 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.438 1.770 -3.808 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.019 -0.366 -2.835 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.555 -0.167 -2.752 1.00 0.16 H new ATOM 1769 N ASN B 68 17.727 6.766 -5.878 1.00 0.23 N ATOM 1770 CA ASN B 68 19.171 7.090 -6.019 1.00 0.27 C ATOM 1771 C ASN B 68 19.749 7.367 -4.632 1.00 0.26 C ATOM 1772 O ASN B 68 20.948 7.450 -4.454 1.00 0.30 O ATOM 1773 CB ASN B 68 19.334 8.330 -6.900 1.00 0.34 C ATOM 1774 CG ASN B 68 18.963 7.976 -8.343 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.371 6.840 -8.587 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.210 8.742 -9.253 1.00 0.40 N flip ATOM 0 H ASN B 68 17.097 7.316 -6.462 1.00 0.23 H new ATOM 0 HA ASN B 68 19.697 6.254 -6.480 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.697 9.136 -6.536 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.362 8.691 -6.854 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.673 9.630 -9.060 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.954 8.497 -10.210 1.00 0.40 H new