USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 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+ -151:sc= -0.308 (180deg=-1.15) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.823 (180deg=-1.15) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 12 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.82) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.17) USER MOD Single : A 28 SER OG : rot 151:sc= -0.0934 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.539 (180deg=-1.17) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -1.09 (180deg=-3.03!) USER MOD Single : A 43 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-0.098) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 114:sc= 0.355 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.0212 (180deg=-0.691) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00487 USER MOD Single : A 51 ASN : amide:sc= -2.16 K(o=-2.2,f=-2.9!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 SER OG : rot 102:sc= 1.1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 76 THR OG1 : rot -40:sc= -0.579! USER MOD Single : A 78 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4.6!) USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= 0.177 (180deg=-0.201) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -4.64! K(o=-4.6!,f=-0.96) USER MOD Single : A 85 LYS NZ :NH3+ -119:sc= -1.74 (180deg=-3.86!) USER MOD Single : A 90 SER OG : rot 137:sc= 1.03 USER MOD Single : A 93 ASN : amide:sc= -3.45! K(o=-3.4!,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc=-0.00135 (180deg=-0.0158) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 88:sc= 0.297 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.26 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.953 -1.847 8.847 1.00 0.24 N ATOM 21 CA VAL A 2 -2.639 -1.702 8.154 1.00 0.19 C ATOM 22 C VAL A 2 -1.864 -3.018 8.276 1.00 0.22 C ATOM 23 O VAL A 2 -2.183 -3.859 9.093 1.00 0.28 O ATOM 24 CB VAL A 2 -1.839 -0.571 8.808 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.565 -0.306 8.003 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.688 0.704 8.840 1.00 0.30 C ATOM 0 HA VAL A 2 -2.799 -1.466 7.102 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.573 -0.862 9.824 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.001 0.499 8.472 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.044 -1.210 7.977 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.831 -0.018 6.986 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.119 1.509 9.305 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.954 0.989 7.822 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.596 0.522 9.415 1.00 0.30 H new ATOM 36 N LYS A 3 -0.854 -3.209 7.472 1.00 0.18 N ATOM 37 CA LYS A 3 -0.067 -4.476 7.544 1.00 0.22 C ATOM 38 C LYS A 3 1.341 -4.223 7.007 1.00 0.16 C ATOM 39 O LYS A 3 1.524 -3.814 5.877 1.00 0.13 O ATOM 40 CB LYS A 3 -0.757 -5.551 6.693 1.00 0.26 C ATOM 41 CG LYS A 3 -0.013 -6.897 6.785 1.00 0.34 C ATOM 42 CD LYS A 3 -0.362 -7.614 8.093 1.00 0.81 C ATOM 43 CE LYS A 3 0.227 -9.025 8.063 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.327 -9.770 6.898 1.00 1.97 N ATOM 0 H LYS A 3 -0.538 -2.543 6.767 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.007 -4.816 8.578 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.787 -5.678 7.028 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.798 -5.225 5.654 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.281 -7.526 5.936 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.063 -6.729 6.731 1.00 0.34 H new ATOM 0 HD2 LYS A 3 0.034 -7.059 8.943 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.444 -7.661 8.219 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.314 -8.976 7.993 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.009 -9.549 8.989 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.352 -10.787 7.116 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.291 -9.435 6.698 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.275 -9.609 6.065 1.00 1.97 H new ATOM 58 N GLN A 4 2.337 -4.469 7.810 1.00 0.18 N ATOM 59 CA GLN A 4 3.741 -4.254 7.360 1.00 0.15 C ATOM 60 C GLN A 4 4.294 -5.552 6.761 1.00 0.13 C ATOM 61 O GLN A 4 4.188 -6.612 7.344 1.00 0.14 O ATOM 62 CB GLN A 4 4.585 -3.841 8.569 1.00 0.20 C ATOM 63 CG GLN A 4 6.078 -3.880 8.212 1.00 0.21 C ATOM 64 CD GLN A 4 6.879 -3.129 9.279 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.611 -3.255 10.457 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.858 -2.349 8.913 1.00 0.98 N ATOM 0 H GLN A 4 2.239 -4.812 8.766 1.00 0.18 H new ATOM 0 HA GLN A 4 3.774 -3.473 6.601 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.307 -2.837 8.890 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.386 -4.510 9.406 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.420 -4.913 8.146 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.241 -3.427 7.234 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.083 -2.243 7.924 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.399 -1.845 9.616 1.00 0.98 H new ATOM 75 N ILE A 5 4.897 -5.465 5.603 1.00 0.10 N ATOM 76 CA ILE A 5 5.486 -6.674 4.946 1.00 0.10 C ATOM 77 C ILE A 5 7.012 -6.573 5.059 1.00 0.10 C ATOM 78 O ILE A 5 7.629 -5.745 4.418 1.00 0.11 O ATOM 79 CB ILE A 5 5.102 -6.689 3.464 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.611 -6.315 3.280 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.413 -8.061 2.847 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.673 -7.195 4.128 1.00 0.19 C ATOM 0 H ILE A 5 5.008 -4.598 5.078 1.00 0.10 H new ATOM 0 HA ILE A 5 5.118 -7.581 5.424 1.00 0.10 H new ATOM 0 HB ILE A 5 5.697 -5.940 2.942 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.466 -5.269 3.551 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.343 -6.412 2.228 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.135 -8.057 1.793 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.479 -8.269 2.940 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.846 -8.832 3.369 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.640 -6.891 3.962 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.795 -8.239 3.840 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.920 -7.078 5.183 1.00 0.19 H new ATOM 94 N GLU A 6 7.623 -7.389 5.873 1.00 0.11 N ATOM 95 CA GLU A 6 9.108 -7.318 6.039 1.00 0.14 C ATOM 96 C GLU A 6 9.786 -8.424 5.221 1.00 0.14 C ATOM 97 O GLU A 6 10.996 -8.488 5.141 1.00 0.17 O ATOM 98 CB GLU A 6 9.447 -7.506 7.517 1.00 0.18 C ATOM 99 CG GLU A 6 8.518 -6.646 8.374 1.00 0.31 C ATOM 100 CD GLU A 6 8.887 -6.809 9.849 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.992 -6.437 10.209 1.00 1.96 O ATOM 102 OE2 GLU A 6 8.057 -7.302 10.596 1.00 1.97 O ATOM 0 H GLU A 6 7.159 -8.105 6.433 1.00 0.11 H new ATOM 0 HA GLU A 6 9.465 -6.350 5.688 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.344 -8.555 7.793 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.485 -7.229 7.700 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.601 -5.599 8.081 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.481 -6.941 8.213 1.00 0.31 H new ATOM 109 N SER A 7 9.024 -9.297 4.616 1.00 0.13 N ATOM 110 CA SER A 7 9.643 -10.396 3.812 1.00 0.15 C ATOM 111 C SER A 7 8.691 -10.831 2.697 1.00 0.14 C ATOM 112 O SER A 7 7.488 -10.706 2.805 1.00 0.12 O ATOM 113 CB SER A 7 9.936 -11.587 4.723 1.00 0.20 C ATOM 114 OG SER A 7 8.719 -12.054 5.291 1.00 0.23 O ATOM 0 H SER A 7 8.004 -9.298 4.642 1.00 0.13 H new ATOM 0 HA SER A 7 10.570 -10.034 3.368 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.416 -12.385 4.155 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.630 -11.295 5.511 1.00 0.20 H new ATOM 0 HG SER A 7 8.903 -12.819 5.875 1.00 0.23 H new ATOM 120 N LYS A 8 9.230 -11.344 1.624 1.00 0.15 N ATOM 121 CA LYS A 8 8.373 -11.794 0.491 1.00 0.14 C ATOM 122 C LYS A 8 7.289 -12.746 1.009 1.00 0.14 C ATOM 123 O LYS A 8 6.201 -12.811 0.478 1.00 0.13 O ATOM 124 CB LYS A 8 9.247 -12.523 -0.535 1.00 0.17 C ATOM 125 CG LYS A 8 8.489 -12.660 -1.859 1.00 0.21 C ATOM 126 CD LYS A 8 9.192 -13.699 -2.747 1.00 0.22 C ATOM 127 CE LYS A 8 8.728 -13.553 -4.204 1.00 1.06 C ATOM 128 NZ LYS A 8 9.564 -12.525 -4.888 1.00 1.90 N ATOM 0 H LYS A 8 10.232 -11.471 1.483 1.00 0.15 H new ATOM 0 HA LYS A 8 7.897 -10.931 0.026 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.175 -11.973 -0.692 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.520 -13.509 -0.158 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.459 -12.964 -1.671 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.449 -11.697 -2.369 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.272 -13.568 -2.687 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.972 -14.704 -2.387 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.811 -14.509 -4.721 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.678 -13.264 -4.236 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.459 -12.622 -5.918 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.255 -11.576 -4.596 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 10.562 -12.659 -4.627 1.00 1.90 H new ATOM 142 N THR A 9 7.584 -13.493 2.036 1.00 0.16 N ATOM 143 CA THR A 9 6.576 -14.447 2.581 1.00 0.18 C ATOM 144 C THR A 9 5.336 -13.690 3.066 1.00 0.16 C ATOM 145 O THR A 9 4.215 -14.095 2.826 1.00 0.17 O ATOM 146 CB THR A 9 7.190 -15.216 3.746 1.00 0.21 C ATOM 147 OG1 THR A 9 8.489 -15.665 3.383 1.00 0.24 O ATOM 148 CG2 THR A 9 6.309 -16.417 4.094 1.00 0.25 C ATOM 0 H THR A 9 8.480 -13.485 2.523 1.00 0.16 H new ATOM 0 HA THR A 9 6.280 -15.140 1.794 1.00 0.18 H new ATOM 0 HB THR A 9 7.261 -14.561 4.615 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.886 -16.158 4.131 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.751 -16.964 4.927 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.315 -16.070 4.375 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.232 -17.075 3.228 1.00 0.25 H new ATOM 156 N ALA A 10 5.528 -12.602 3.757 1.00 0.16 N ATOM 157 CA ALA A 10 4.363 -11.824 4.274 1.00 0.17 C ATOM 158 C ALA A 10 3.603 -11.174 3.112 1.00 0.15 C ATOM 159 O ALA A 10 2.432 -10.873 3.219 1.00 0.17 O ATOM 160 CB ALA A 10 4.862 -10.742 5.231 1.00 0.20 C ATOM 0 H ALA A 10 6.443 -12.215 3.988 1.00 0.16 H new ATOM 0 HA ALA A 10 3.689 -12.498 4.802 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.014 -10.172 5.610 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.388 -11.208 6.064 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.541 -10.073 4.702 1.00 0.20 H new ATOM 166 N PHE A 11 4.259 -10.948 2.006 1.00 0.12 N ATOM 167 CA PHE A 11 3.565 -10.310 0.849 1.00 0.11 C ATOM 168 C PHE A 11 2.375 -11.168 0.416 1.00 0.13 C ATOM 169 O PHE A 11 1.239 -10.755 0.510 1.00 0.16 O ATOM 170 CB PHE A 11 4.545 -10.159 -0.320 1.00 0.10 C ATOM 171 CG PHE A 11 3.819 -9.623 -1.535 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.353 -8.295 -1.545 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.614 -10.449 -2.659 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.682 -7.792 -2.676 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.943 -9.947 -3.790 1.00 0.18 C ATOM 176 CZ PHE A 11 2.477 -8.618 -3.799 1.00 0.21 C ATOM 0 H PHE A 11 5.241 -11.176 1.853 1.00 0.12 H new ATOM 0 HA PHE A 11 3.204 -9.326 1.148 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.355 -9.484 -0.042 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.999 -11.122 -0.552 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.510 -7.661 -0.685 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.972 -11.468 -2.652 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.324 -6.773 -2.683 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.786 -10.581 -4.650 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.963 -8.232 -4.667 1.00 0.21 H new ATOM 186 N GLN A 12 2.624 -12.357 -0.061 1.00 0.15 N ATOM 187 CA GLN A 12 1.497 -13.229 -0.505 1.00 0.19 C ATOM 188 C GLN A 12 0.519 -13.436 0.653 1.00 0.17 C ATOM 189 O GLN A 12 -0.682 -13.366 0.485 1.00 0.16 O ATOM 190 CB GLN A 12 2.047 -14.587 -0.948 1.00 0.24 C ATOM 191 CG GLN A 12 3.101 -14.386 -2.038 1.00 1.21 C ATOM 192 CD GLN A 12 2.447 -13.815 -3.300 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.096 -13.154 -4.086 1.00 2.35 O ATOM 194 NE2 GLN A 12 1.182 -14.044 -3.532 1.00 2.47 N ATOM 0 H GLN A 12 3.555 -12.762 -0.163 1.00 0.15 H new ATOM 0 HA GLN A 12 0.980 -12.752 -1.338 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.485 -15.108 -0.097 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.237 -15.213 -1.323 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.878 -13.709 -1.683 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.585 -15.335 -2.267 1.00 1.21 H new ATOM 0 HE21 GLN A 12 0.635 -14.599 -2.874 1.00 2.47 H new ATOM 0 HE22 GLN A 12 0.741 -13.668 -4.372 1.00 2.47 H new ATOM 203 N GLU A 13 1.023 -13.699 1.825 1.00 0.19 N ATOM 204 CA GLU A 13 0.127 -13.920 2.991 1.00 0.20 C ATOM 205 C GLU A 13 -0.760 -12.693 3.215 1.00 0.18 C ATOM 206 O GLU A 13 -1.906 -12.812 3.599 1.00 0.19 O ATOM 207 CB GLU A 13 0.980 -14.162 4.235 1.00 0.25 C ATOM 208 CG GLU A 13 1.676 -15.524 4.138 1.00 0.30 C ATOM 209 CD GLU A 13 0.676 -16.639 4.452 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.021 -16.549 5.477 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.584 -17.565 3.662 1.00 2.03 O ATOM 0 H GLU A 13 2.021 -13.771 2.026 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.508 -14.785 2.798 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.723 -13.371 4.336 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.355 -14.127 5.127 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.087 -15.662 3.138 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.513 -15.566 4.835 1.00 0.30 H new ATOM 218 N ALA A 14 -0.245 -11.514 2.987 1.00 0.18 N ATOM 219 CA ALA A 14 -1.076 -10.295 3.198 1.00 0.18 C ATOM 220 C ALA A 14 -2.298 -10.344 2.274 1.00 0.18 C ATOM 221 O ALA A 14 -3.416 -10.113 2.688 1.00 0.19 O ATOM 222 CB ALA A 14 -0.241 -9.051 2.885 1.00 0.20 C ATOM 0 H ALA A 14 0.708 -11.344 2.666 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.410 -10.254 4.235 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.847 -8.158 3.039 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.626 -9.019 3.545 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.093 -9.089 1.848 1.00 0.20 H new ATOM 228 N LEU A 15 -2.085 -10.648 1.023 1.00 0.17 N ATOM 229 CA LEU A 15 -3.219 -10.722 0.051 1.00 0.18 C ATOM 230 C LEU A 15 -4.174 -11.847 0.463 1.00 0.18 C ATOM 231 O LEU A 15 -5.378 -11.685 0.456 1.00 0.18 O ATOM 232 CB LEU A 15 -2.664 -10.993 -1.353 1.00 0.19 C ATOM 233 CG LEU A 15 -1.380 -10.182 -1.568 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.933 -10.318 -3.025 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.644 -8.706 -1.257 1.00 0.62 C ATOM 0 H LEU A 15 -1.167 -10.850 0.627 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.764 -9.778 0.047 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.458 -12.057 -1.474 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.405 -10.724 -2.106 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.600 -10.558 -0.906 1.00 0.24 H new ATOM 0 HD11 LEU A 15 -0.021 -9.743 -3.181 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.743 -11.367 -3.251 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.716 -9.941 -3.683 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.730 -8.133 -1.411 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.424 -8.329 -1.918 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.966 -8.604 -0.221 1.00 0.62 H new ATOM 247 N ASP A 16 -3.649 -12.987 0.823 1.00 0.19 N ATOM 248 CA ASP A 16 -4.531 -14.116 1.236 1.00 0.21 C ATOM 249 C ASP A 16 -5.284 -13.730 2.513 1.00 0.20 C ATOM 250 O ASP A 16 -6.433 -14.078 2.698 1.00 0.20 O ATOM 251 CB ASP A 16 -3.677 -15.362 1.495 1.00 0.24 C ATOM 252 CG ASP A 16 -4.538 -16.462 2.124 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.400 -16.980 1.435 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.321 -16.764 3.286 1.00 1.09 O ATOM 0 H ASP A 16 -2.649 -13.185 0.849 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.248 -14.330 0.444 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.243 -15.717 0.560 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.847 -15.114 2.157 1.00 0.24 H new ATOM 259 N ALA A 17 -4.645 -13.016 3.399 1.00 0.22 N ATOM 260 CA ALA A 17 -5.328 -12.611 4.661 1.00 0.24 C ATOM 261 C ALA A 17 -6.212 -11.391 4.394 1.00 0.21 C ATOM 262 O ALA A 17 -7.096 -11.073 5.165 1.00 0.22 O ATOM 263 CB ALA A 17 -4.276 -12.260 5.715 1.00 0.30 C ATOM 0 H ALA A 17 -3.681 -12.696 3.304 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.946 -13.433 5.022 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.772 -11.963 6.639 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.646 -13.129 5.904 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.659 -11.437 5.354 1.00 0.30 H new ATOM 269 N ALA A 18 -5.978 -10.702 3.310 1.00 0.21 N ATOM 270 CA ALA A 18 -6.802 -9.499 2.995 1.00 0.22 C ATOM 271 C ALA A 18 -8.229 -9.923 2.639 1.00 0.21 C ATOM 272 O ALA A 18 -9.103 -9.099 2.460 1.00 0.24 O ATOM 273 CB ALA A 18 -6.180 -8.754 1.813 1.00 0.23 C ATOM 0 H ALA A 18 -5.251 -10.920 2.628 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.831 -8.845 3.866 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.780 -7.874 1.581 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.167 -8.444 2.070 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.149 -9.412 0.944 1.00 0.23 H new ATOM 279 N GLY A 19 -8.476 -11.201 2.534 1.00 0.22 N ATOM 280 CA GLY A 19 -9.849 -11.666 2.189 1.00 0.24 C ATOM 281 C GLY A 19 -10.147 -11.352 0.721 1.00 0.20 C ATOM 282 O GLY A 19 -9.557 -11.920 -0.175 1.00 0.28 O ATOM 0 H GLY A 19 -7.788 -11.941 2.672 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.935 -12.738 2.366 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.581 -11.177 2.831 1.00 0.24 H new ATOM 286 N ASP A 20 -11.063 -10.451 0.468 1.00 0.13 N ATOM 287 CA ASP A 20 -11.411 -10.095 -0.944 1.00 0.18 C ATOM 288 C ASP A 20 -11.574 -8.578 -1.062 1.00 0.15 C ATOM 289 O ASP A 20 -11.933 -8.064 -2.103 1.00 0.22 O ATOM 290 CB ASP A 20 -12.724 -10.784 -1.327 1.00 0.26 C ATOM 291 CG ASP A 20 -12.926 -10.706 -2.841 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.187 -9.977 -3.482 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.818 -11.377 -3.335 1.00 2.19 O ATOM 0 H ASP A 20 -11.587 -9.944 1.181 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.616 -10.425 -1.613 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.706 -11.826 -1.006 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.559 -10.307 -0.814 1.00 0.26 H new ATOM 298 N LYS A 21 -11.312 -7.854 -0.006 1.00 0.12 N ATOM 299 CA LYS A 21 -11.449 -6.373 -0.071 1.00 0.19 C ATOM 300 C LYS A 21 -10.326 -5.796 -0.924 1.00 0.15 C ATOM 301 O LYS A 21 -9.389 -6.482 -1.283 1.00 0.15 O ATOM 302 CB LYS A 21 -11.362 -5.797 1.344 1.00 0.27 C ATOM 303 CG LYS A 21 -12.705 -5.974 2.049 1.00 0.29 C ATOM 304 CD LYS A 21 -12.533 -5.705 3.545 1.00 0.30 C ATOM 305 CE LYS A 21 -13.886 -5.349 4.161 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.852 -6.457 3.916 1.00 1.90 N ATOM 0 H LYS A 21 -11.010 -8.224 0.895 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.410 -6.113 -0.514 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.575 -6.301 1.905 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.097 -4.740 1.302 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.442 -5.290 1.628 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.081 -6.985 1.891 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.118 -6.584 4.037 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.826 -4.890 3.699 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.776 -5.179 5.232 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.262 -4.422 3.728 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.662 -6.360 4.560 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -15.185 -6.416 2.932 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -14.383 -7.370 4.085 1.00 1.90 H new ATOM 320 N LEU A 22 -10.405 -4.537 -1.248 1.00 0.13 N ATOM 321 CA LEU A 22 -9.336 -3.926 -2.073 1.00 0.11 C ATOM 322 C LEU A 22 -8.032 -3.946 -1.257 1.00 0.10 C ATOM 323 O LEU A 22 -8.051 -4.136 -0.057 1.00 0.11 O ATOM 324 CB LEU A 22 -9.741 -2.474 -2.424 1.00 0.12 C ATOM 325 CG LEU A 22 -9.489 -2.150 -3.911 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.875 -0.675 -4.178 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.007 -2.385 -4.273 1.00 0.11 C ATOM 0 H LEU A 22 -11.162 -3.909 -0.977 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.190 -4.479 -3.001 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.796 -2.326 -2.194 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.178 -1.779 -1.801 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.098 -2.808 -4.531 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.700 -0.437 -5.227 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.929 -0.527 -3.943 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.268 -0.021 -3.552 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.848 -2.151 -5.326 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.376 -1.742 -3.659 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.749 -3.428 -4.090 1.00 0.11 H new ATOM 339 N VAL A 23 -6.904 -3.753 -1.889 1.00 0.08 N ATOM 340 CA VAL A 23 -5.613 -3.763 -1.138 1.00 0.09 C ATOM 341 C VAL A 23 -4.635 -2.774 -1.775 1.00 0.08 C ATOM 342 O VAL A 23 -4.121 -3.008 -2.849 1.00 0.09 O ATOM 343 CB VAL A 23 -5.005 -5.166 -1.189 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.860 -5.260 -0.180 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.075 -6.202 -0.842 1.00 0.10 C ATOM 0 H VAL A 23 -6.820 -3.589 -2.892 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.800 -3.476 -0.103 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.625 -5.360 -2.192 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.425 -6.259 -0.215 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.096 -4.523 -0.427 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.241 -5.065 0.822 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.640 -7.201 -0.879 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.457 -6.009 0.161 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.892 -6.136 -1.560 1.00 0.10 H new ATOM 355 N VAL A 24 -4.360 -1.676 -1.110 1.00 0.08 N ATOM 356 CA VAL A 24 -3.396 -0.670 -1.658 1.00 0.08 C ATOM 357 C VAL A 24 -2.083 -0.785 -0.880 1.00 0.08 C ATOM 358 O VAL A 24 -2.076 -0.882 0.332 1.00 0.08 O ATOM 359 CB VAL A 24 -3.977 0.737 -1.508 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.165 1.722 -2.353 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.432 0.746 -1.978 1.00 0.09 C ATOM 0 H VAL A 24 -4.765 -1.433 -0.206 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.216 -0.858 -2.716 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.932 1.033 -0.460 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.581 2.724 -2.244 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.128 1.721 -2.017 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.207 1.423 -3.400 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.843 1.750 -1.870 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.478 0.446 -3.025 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.014 0.049 -1.375 1.00 0.09 H new ATOM 371 N VAL A 25 -0.973 -0.798 -1.574 1.00 0.09 N ATOM 372 CA VAL A 25 0.359 -0.936 -0.898 1.00 0.09 C ATOM 373 C VAL A 25 1.132 0.374 -1.004 1.00 0.10 C ATOM 374 O VAL A 25 1.130 1.023 -2.026 1.00 0.17 O ATOM 375 CB VAL A 25 1.161 -2.032 -1.605 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.318 -2.491 -0.714 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.244 -3.216 -1.906 1.00 0.09 C ATOM 0 H VAL A 25 -0.930 -0.718 -2.590 1.00 0.09 H new ATOM 0 HA VAL A 25 0.206 -1.188 0.152 1.00 0.09 H new ATOM 0 HB VAL A 25 1.566 -1.637 -2.537 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.883 -3.271 -1.225 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.973 -1.646 -0.505 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.922 -2.884 0.223 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.813 -3.998 -2.409 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.163 -3.607 -0.974 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.572 -2.889 -2.550 1.00 0.09 H new ATOM 387 N ASP A 26 1.808 0.751 0.047 1.00 0.08 N ATOM 388 CA ASP A 26 2.609 2.010 0.030 1.00 0.08 C ATOM 389 C ASP A 26 4.098 1.660 0.057 1.00 0.08 C ATOM 390 O ASP A 26 4.645 1.315 1.086 1.00 0.09 O ATOM 391 CB ASP A 26 2.260 2.839 1.267 1.00 0.09 C ATOM 392 CG ASP A 26 3.131 4.095 1.305 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.995 4.914 0.412 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.920 4.218 2.227 1.00 0.96 O ATOM 0 H ASP A 26 1.840 0.235 0.926 1.00 0.08 H new ATOM 0 HA ASP A 26 2.385 2.581 -0.871 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.206 3.116 1.246 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.417 2.248 2.169 1.00 0.09 H new ATOM 399 N PHE A 27 4.762 1.757 -1.062 1.00 0.08 N ATOM 400 CA PHE A 27 6.219 1.444 -1.099 1.00 0.09 C ATOM 401 C PHE A 27 6.985 2.723 -0.771 1.00 0.11 C ATOM 402 O PHE A 27 7.478 3.399 -1.654 1.00 0.13 O ATOM 403 CB PHE A 27 6.607 0.991 -2.506 1.00 0.10 C ATOM 404 CG PHE A 27 6.167 -0.436 -2.749 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.842 -0.720 -3.140 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.094 -1.484 -2.598 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.450 -2.055 -3.376 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.700 -2.815 -2.835 1.00 0.21 C ATOM 409 CZ PHE A 27 5.379 -3.099 -3.224 1.00 0.23 C ATOM 0 H PHE A 27 4.357 2.040 -1.955 1.00 0.08 H new ATOM 0 HA PHE A 27 6.452 0.655 -0.384 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.149 1.649 -3.244 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.686 1.071 -2.634 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.129 0.082 -3.259 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.109 -1.267 -2.300 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.435 -2.275 -3.674 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.413 -3.618 -2.718 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.078 -4.120 -3.406 1.00 0.23 H new ATOM 419 N SER A 28 7.073 3.065 0.489 1.00 0.11 N ATOM 420 CA SER A 28 7.794 4.311 0.899 1.00 0.12 C ATOM 421 C SER A 28 9.034 3.943 1.711 1.00 0.10 C ATOM 422 O SER A 28 9.060 2.949 2.408 1.00 0.11 O ATOM 423 CB SER A 28 6.867 5.172 1.755 1.00 0.17 C ATOM 424 OG SER A 28 5.668 5.427 1.035 1.00 1.03 O ATOM 0 H SER A 28 6.673 2.530 1.260 1.00 0.11 H new ATOM 0 HA SER A 28 8.095 4.865 0.010 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.641 4.663 2.692 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.358 6.111 2.012 1.00 0.17 H new ATOM 0 HG SER A 28 4.927 5.546 1.665 1.00 1.03 H new ATOM 430 N ALA A 29 10.059 4.748 1.639 1.00 0.10 N ATOM 431 CA ALA A 29 11.297 4.461 2.418 1.00 0.15 C ATOM 432 C ALA A 29 11.197 5.164 3.776 1.00 0.18 C ATOM 433 O ALA A 29 10.900 6.340 3.857 1.00 0.26 O ATOM 434 CB ALA A 29 12.509 4.978 1.642 1.00 0.19 C ATOM 0 H ALA A 29 10.092 5.595 1.072 1.00 0.10 H new ATOM 0 HA ALA A 29 11.409 3.388 2.574 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.418 4.771 2.207 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.561 4.479 0.674 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.413 6.053 1.491 1.00 0.19 H new ATOM 440 N THR A 30 11.423 4.448 4.844 1.00 0.18 N ATOM 441 CA THR A 30 11.321 5.068 6.198 1.00 0.23 C ATOM 442 C THR A 30 12.421 6.115 6.398 1.00 0.26 C ATOM 443 O THR A 30 12.301 6.999 7.223 1.00 0.31 O ATOM 444 CB THR A 30 11.461 3.977 7.264 1.00 0.26 C ATOM 445 OG1 THR A 30 11.260 4.546 8.549 1.00 0.32 O ATOM 446 CG2 THR A 30 12.858 3.361 7.189 1.00 0.28 C ATOM 0 H THR A 30 11.674 3.459 4.838 1.00 0.18 H new ATOM 0 HA THR A 30 10.352 5.558 6.287 1.00 0.23 H new ATOM 0 HB THR A 30 10.716 3.200 7.089 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.348 3.849 9.233 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.955 2.585 7.948 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.010 2.924 6.202 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.606 4.134 7.363 1.00 0.28 H new ATOM 454 N TRP A 31 13.498 6.021 5.666 1.00 0.26 N ATOM 455 CA TRP A 31 14.607 7.011 5.836 1.00 0.32 C ATOM 456 C TRP A 31 14.391 8.216 4.920 1.00 0.32 C ATOM 457 O TRP A 31 14.933 9.279 5.143 1.00 0.36 O ATOM 458 CB TRP A 31 15.936 6.342 5.470 1.00 0.34 C ATOM 459 CG TRP A 31 15.944 6.007 4.014 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.673 4.789 3.497 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.229 6.880 2.884 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.775 4.853 2.116 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.111 6.123 1.688 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.573 8.247 2.780 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.330 6.702 0.430 1.00 0.32 C ATOM 466 CZ3 TRP A 31 16.792 8.834 1.519 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.670 8.064 0.344 1.00 0.40 C ATOM 0 H TRP A 31 13.660 5.304 4.959 1.00 0.26 H new ATOM 0 HA TRP A 31 14.623 7.349 6.872 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.767 7.008 5.705 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.075 5.438 6.062 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.418 3.908 4.067 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.621 4.060 1.493 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.669 8.845 3.674 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.238 6.107 -0.466 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.055 9.879 1.451 1.00 0.44 H new ATOM 0 HH2 TRP A 31 16.837 8.520 -0.621 1.00 0.40 H new ATOM 478 N CYS A 32 13.623 8.057 3.879 1.00 0.28 N ATOM 479 CA CYS A 32 13.404 9.187 2.931 1.00 0.30 C ATOM 480 C CYS A 32 12.174 9.999 3.357 1.00 0.31 C ATOM 481 O CYS A 32 11.070 9.496 3.433 1.00 0.29 O ATOM 482 CB CYS A 32 13.214 8.607 1.522 1.00 0.28 C ATOM 483 SG CYS A 32 13.840 9.774 0.287 1.00 0.32 S ATOM 0 H CYS A 32 13.136 7.192 3.642 1.00 0.28 H new ATOM 0 HA CYS A 32 14.264 9.857 2.936 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.740 7.656 1.436 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.158 8.404 1.342 1.00 0.28 H new ATOM 488 N GLY A 33 12.377 11.257 3.639 1.00 0.34 N ATOM 489 CA GLY A 33 11.259 12.141 4.069 1.00 0.36 C ATOM 490 C GLY A 33 10.171 12.251 2.986 1.00 0.35 C ATOM 491 O GLY A 33 9.019 12.020 3.275 1.00 0.33 O ATOM 0 H GLY A 33 13.286 11.716 3.588 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.820 11.752 4.988 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.647 13.134 4.297 1.00 0.36 H new ATOM 495 N PRO A 34 10.544 12.632 1.779 1.00 0.37 N ATOM 496 CA PRO A 34 9.565 12.806 0.685 1.00 0.38 C ATOM 497 C PRO A 34 8.621 11.602 0.582 1.00 0.35 C ATOM 498 O PRO A 34 7.455 11.747 0.273 1.00 0.36 O ATOM 499 CB PRO A 34 10.429 12.973 -0.589 1.00 0.42 C ATOM 500 CG PRO A 34 11.883 13.251 -0.110 1.00 0.44 C ATOM 501 CD PRO A 34 11.946 12.907 1.398 1.00 0.40 C ATOM 0 HA PRO A 34 8.913 13.664 0.847 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.389 12.074 -1.204 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.060 13.795 -1.202 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.595 12.646 -0.672 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.150 14.295 -0.277 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.583 12.042 1.580 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.359 13.734 1.976 1.00 0.40 H new ATOM 509 N ALA A 35 9.106 10.424 0.836 1.00 0.33 N ATOM 510 CA ALA A 35 8.221 9.231 0.749 1.00 0.32 C ATOM 511 C ALA A 35 7.352 9.160 2.008 1.00 0.39 C ATOM 512 O ALA A 35 6.142 9.266 1.954 1.00 0.81 O ATOM 513 CB ALA A 35 9.084 7.973 0.634 1.00 0.36 C ATOM 0 H ALA A 35 10.073 10.233 1.099 1.00 0.33 H new ATOM 0 HA ALA A 35 7.577 9.304 -0.128 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.441 7.095 0.570 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.702 8.036 -0.262 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.725 7.890 1.512 1.00 0.36 H new ATOM 519 N LYS A 36 7.967 8.983 3.143 1.00 0.30 N ATOM 520 CA LYS A 36 7.204 8.906 4.422 1.00 0.28 C ATOM 521 C LYS A 36 6.423 10.207 4.646 1.00 0.24 C ATOM 522 O LYS A 36 5.510 10.264 5.446 1.00 0.25 O ATOM 523 CB LYS A 36 8.200 8.693 5.571 1.00 0.35 C ATOM 524 CG LYS A 36 7.501 8.895 6.924 1.00 0.38 C ATOM 525 CD LYS A 36 8.313 8.227 8.038 1.00 0.49 C ATOM 526 CE LYS A 36 9.756 8.740 8.007 1.00 1.22 C ATOM 527 NZ LYS A 36 9.755 10.226 7.892 1.00 1.92 N ATOM 0 H LYS A 36 8.978 8.887 3.241 1.00 0.30 H new ATOM 0 HA LYS A 36 6.496 8.078 4.382 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.619 7.688 5.517 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.031 9.391 5.475 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.392 9.960 7.131 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.497 8.472 6.891 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.862 8.440 9.007 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.299 7.144 7.912 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.281 8.435 8.913 1.00 1.22 H new ATOM 0 HE3 LYS A 36 10.291 8.300 7.165 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 10.609 10.610 8.344 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.743 10.496 6.888 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 8.911 10.610 8.364 1.00 1.92 H new ATOM 541 N MET A 37 6.782 11.253 3.958 1.00 0.23 N ATOM 542 CA MET A 37 6.074 12.553 4.142 1.00 0.24 C ATOM 543 C MET A 37 4.587 12.392 3.807 1.00 0.20 C ATOM 544 O MET A 37 3.767 13.200 4.196 1.00 0.20 O ATOM 545 CB MET A 37 6.712 13.611 3.225 1.00 0.29 C ATOM 546 CG MET A 37 5.834 14.869 3.148 1.00 1.31 C ATOM 547 SD MET A 37 5.396 15.416 4.818 1.00 2.12 S ATOM 548 CE MET A 37 4.836 17.087 4.387 1.00 3.13 C ATOM 0 H MET A 37 7.538 11.266 3.273 1.00 0.23 H new ATOM 0 HA MET A 37 6.164 12.873 5.180 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.701 13.875 3.600 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.850 13.197 2.226 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.366 15.663 2.623 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.930 14.658 2.576 1.00 1.31 H new ATOM 0 HE1 MET A 37 4.516 17.608 5.290 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.655 17.637 3.922 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.001 17.022 3.690 1.00 3.13 H new ATOM 558 N ILE A 38 4.231 11.365 3.072 1.00 0.18 N ATOM 559 CA ILE A 38 2.794 11.169 2.691 1.00 0.15 C ATOM 560 C ILE A 38 2.139 10.134 3.604 1.00 0.16 C ATOM 561 O ILE A 38 1.035 9.690 3.359 1.00 0.16 O ATOM 562 CB ILE A 38 2.721 10.683 1.240 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.811 11.395 0.432 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.336 11.009 0.646 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.629 11.108 -1.062 1.00 0.28 C ATOM 0 H ILE A 38 4.872 10.654 2.719 1.00 0.18 H new ATOM 0 HA ILE A 38 2.266 12.117 2.796 1.00 0.15 H new ATOM 0 HB ILE A 38 2.872 9.604 1.202 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.766 12.469 0.612 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.795 11.058 0.758 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.291 10.661 -0.386 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.563 10.511 1.231 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.173 12.086 0.672 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.408 11.618 -1.628 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.697 10.034 -1.237 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.652 11.467 -1.385 1.00 0.28 H new ATOM 577 N LYS A 39 2.794 9.744 4.662 1.00 0.19 N ATOM 578 CA LYS A 39 2.166 8.743 5.556 1.00 0.22 C ATOM 579 C LYS A 39 0.894 9.290 6.241 1.00 0.20 C ATOM 580 O LYS A 39 0.000 8.516 6.500 1.00 0.21 O ATOM 581 CB LYS A 39 3.176 8.192 6.606 1.00 0.31 C ATOM 582 CG LYS A 39 3.369 9.139 7.819 1.00 0.34 C ATOM 583 CD LYS A 39 3.930 8.369 9.026 1.00 0.45 C ATOM 584 CE LYS A 39 2.909 7.355 9.570 1.00 1.16 C ATOM 585 NZ LYS A 39 3.172 6.026 8.955 1.00 1.62 N ATOM 0 H LYS A 39 3.720 10.070 4.940 1.00 0.19 H new ATOM 0 HA LYS A 39 1.860 7.910 4.923 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.828 7.222 6.962 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.140 8.028 6.124 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.048 9.948 7.550 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.416 9.597 8.084 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.842 7.848 8.735 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.202 9.072 9.813 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.985 7.289 10.655 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.895 7.682 9.341 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.310 5.684 8.485 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.937 6.112 8.256 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.454 5.351 9.694 1.00 1.62 H new ATOM 599 N PRO A 40 0.814 10.576 6.568 1.00 0.20 N ATOM 600 CA PRO A 40 -0.378 11.065 7.279 1.00 0.21 C ATOM 601 C PRO A 40 -1.634 10.859 6.429 1.00 0.17 C ATOM 602 O PRO A 40 -2.736 11.090 6.880 1.00 0.20 O ATOM 603 CB PRO A 40 -0.105 12.558 7.556 1.00 0.24 C ATOM 604 CG PRO A 40 1.321 12.880 7.028 1.00 0.25 C ATOM 605 CD PRO A 40 1.821 11.634 6.266 1.00 0.21 C ATOM 0 HA PRO A 40 -0.558 10.524 8.208 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.848 13.182 7.059 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.175 12.769 8.623 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.300 13.749 6.371 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.991 13.120 7.853 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.886 11.825 5.195 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.816 11.340 6.598 1.00 0.21 H new ATOM 613 N PHE A 41 -1.472 10.430 5.205 1.00 0.14 N ATOM 614 CA PHE A 41 -2.652 10.206 4.314 1.00 0.14 C ATOM 615 C PHE A 41 -2.870 8.705 4.128 1.00 0.11 C ATOM 616 O PHE A 41 -3.782 8.129 4.678 1.00 0.13 O ATOM 617 CB PHE A 41 -2.377 10.859 2.955 1.00 0.15 C ATOM 618 CG PHE A 41 -2.642 12.342 3.045 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.640 13.208 3.523 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.892 12.855 2.654 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.891 14.592 3.610 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.143 14.238 2.739 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.142 15.107 3.218 1.00 0.27 C ATOM 0 H PHE A 41 -0.568 10.223 4.780 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.544 10.645 4.760 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.344 10.681 2.657 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.011 10.411 2.190 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.681 12.812 3.822 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.659 12.188 2.289 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.124 15.258 3.977 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.102 14.633 2.437 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.334 16.168 3.284 1.00 0.27 H new ATOM 633 N PHE A 42 -2.043 8.072 3.349 1.00 0.10 N ATOM 634 CA PHE A 42 -2.204 6.612 3.106 1.00 0.11 C ATOM 635 C PHE A 42 -2.477 5.870 4.421 1.00 0.11 C ATOM 636 O PHE A 42 -3.461 5.168 4.553 1.00 0.12 O ATOM 637 CB PHE A 42 -0.922 6.079 2.465 1.00 0.13 C ATOM 638 CG PHE A 42 -0.995 4.580 2.348 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.690 4.002 1.276 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.363 3.761 3.305 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.758 2.606 1.156 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.432 2.360 3.186 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.130 1.782 2.109 1.00 0.10 C ATOM 0 H PHE A 42 -1.256 8.505 2.866 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.053 6.448 2.442 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.786 6.524 1.479 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.058 6.364 3.066 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.173 4.631 0.543 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.174 4.208 4.129 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.294 2.162 0.330 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.050 1.730 3.919 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.184 0.708 2.014 1.00 0.10 H new ATOM 653 N HIS A 43 -1.618 6.010 5.388 1.00 0.14 N ATOM 654 CA HIS A 43 -1.834 5.302 6.684 1.00 0.16 C ATOM 655 C HIS A 43 -3.085 5.859 7.382 1.00 0.16 C ATOM 656 O HIS A 43 -3.776 5.149 8.085 1.00 0.18 O ATOM 657 CB HIS A 43 -0.570 5.463 7.563 1.00 0.21 C ATOM 658 CG HIS A 43 -0.911 5.385 9.027 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.809 4.211 9.754 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.395 6.328 9.899 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.229 4.473 11.006 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.598 5.749 11.149 1.00 0.39 N ATOM 0 H HIS A 43 -0.775 6.583 5.341 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.001 4.239 6.510 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.151 4.685 7.313 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.094 6.420 7.348 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.589 7.362 9.653 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.263 3.740 11.799 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.952 6.201 11.992 1.00 0.39 H new ATOM 670 N SER A 44 -3.385 7.114 7.197 1.00 0.20 N ATOM 671 CA SER A 44 -4.592 7.688 7.860 1.00 0.25 C ATOM 672 C SER A 44 -5.861 7.009 7.329 1.00 0.20 C ATOM 673 O SER A 44 -6.780 6.729 8.073 1.00 0.21 O ATOM 674 CB SER A 44 -4.664 9.190 7.580 1.00 0.34 C ATOM 675 OG SER A 44 -6.009 9.628 7.721 1.00 0.97 O ATOM 0 H SER A 44 -2.852 7.764 6.620 1.00 0.20 H new ATOM 0 HA SER A 44 -4.520 7.517 8.934 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.018 9.732 8.271 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.304 9.402 6.573 1.00 0.34 H new ATOM 0 HG SER A 44 -6.060 10.591 7.544 1.00 0.97 H new ATOM 681 N LEU A 45 -5.926 6.752 6.049 1.00 0.18 N ATOM 682 CA LEU A 45 -7.146 6.102 5.479 1.00 0.18 C ATOM 683 C LEU A 45 -7.486 4.838 6.275 1.00 0.16 C ATOM 684 O LEU A 45 -8.555 4.280 6.137 1.00 0.23 O ATOM 685 CB LEU A 45 -6.902 5.722 4.011 1.00 0.19 C ATOM 686 CG LEU A 45 -6.508 6.957 3.182 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.403 6.557 1.709 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.561 8.067 3.337 1.00 0.50 C ATOM 0 H LEU A 45 -5.190 6.963 5.374 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.976 6.805 5.540 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.113 4.972 3.952 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.802 5.271 3.594 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.549 7.333 3.537 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.124 7.427 1.115 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.645 5.782 1.596 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.365 6.177 1.366 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.267 8.933 2.744 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.528 7.702 2.991 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.636 8.354 4.386 1.00 0.50 H new ATOM 700 N SER A 46 -6.595 4.378 7.107 1.00 0.20 N ATOM 701 CA SER A 46 -6.891 3.151 7.900 1.00 0.25 C ATOM 702 C SER A 46 -8.178 3.358 8.704 1.00 0.17 C ATOM 703 O SER A 46 -8.977 2.456 8.856 1.00 0.15 O ATOM 704 CB SER A 46 -5.735 2.869 8.858 1.00 0.36 C ATOM 705 OG SER A 46 -4.525 2.773 8.119 1.00 0.51 O ATOM 0 H SER A 46 -5.679 4.795 7.273 1.00 0.20 H new ATOM 0 HA SER A 46 -7.017 2.306 7.223 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.660 3.665 9.599 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.917 1.942 9.402 1.00 0.36 H new ATOM 0 HG SER A 46 -3.937 3.520 8.356 1.00 0.51 H new ATOM 711 N GLU A 47 -8.378 4.538 9.229 1.00 0.21 N ATOM 712 CA GLU A 47 -9.607 4.810 10.036 1.00 0.21 C ATOM 713 C GLU A 47 -10.702 5.392 9.137 1.00 0.18 C ATOM 714 O GLU A 47 -11.845 5.504 9.534 1.00 0.18 O ATOM 715 CB GLU A 47 -9.278 5.818 11.142 1.00 0.32 C ATOM 716 CG GLU A 47 -8.023 5.374 11.900 1.00 0.39 C ATOM 717 CD GLU A 47 -8.320 4.086 12.672 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.205 3.024 12.081 1.00 2.00 O ATOM 719 OE2 GLU A 47 -8.656 4.183 13.840 1.00 1.98 O ATOM 0 H GLU A 47 -7.741 5.329 9.134 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.958 3.877 10.477 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.121 6.806 10.710 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.118 5.901 11.831 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.202 5.211 11.201 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.705 6.157 12.588 1.00 0.39 H new ATOM 726 N LYS A 48 -10.364 5.766 7.933 1.00 0.18 N ATOM 727 CA LYS A 48 -11.391 6.343 7.014 1.00 0.17 C ATOM 728 C LYS A 48 -12.049 5.192 6.244 1.00 0.15 C ATOM 729 O LYS A 48 -13.255 5.045 6.231 1.00 0.18 O ATOM 730 CB LYS A 48 -10.699 7.308 6.034 1.00 0.21 C ATOM 731 CG LYS A 48 -11.704 8.325 5.468 1.00 0.26 C ATOM 732 CD LYS A 48 -12.876 7.599 4.801 1.00 1.09 C ATOM 733 CE LYS A 48 -13.626 8.567 3.879 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.756 9.892 4.549 1.00 2.16 N ATOM 0 H LYS A 48 -9.423 5.698 7.545 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.149 6.890 7.575 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -9.891 7.833 6.543 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.248 6.743 5.218 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.073 8.966 6.269 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -11.209 8.972 4.744 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.510 6.746 4.229 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -13.553 7.207 5.560 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.091 8.676 2.936 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -14.613 8.169 3.642 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.549 10.417 4.128 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.933 9.752 5.564 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.877 10.433 4.422 1.00 2.16 H new ATOM 748 N TYR A 49 -11.254 4.365 5.608 1.00 0.13 N ATOM 749 CA TYR A 49 -11.806 3.210 4.832 1.00 0.13 C ATOM 750 C TYR A 49 -11.505 1.903 5.565 1.00 0.11 C ATOM 751 O TYR A 49 -10.679 1.118 5.142 1.00 0.11 O ATOM 752 CB TYR A 49 -11.145 3.174 3.452 1.00 0.15 C ATOM 753 CG TYR A 49 -11.738 4.256 2.587 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.984 4.050 1.969 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.052 5.470 2.405 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.546 5.058 1.165 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.609 6.481 1.604 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.859 6.276 0.981 1.00 0.21 C ATOM 759 OH TYR A 49 -13.410 7.266 0.192 1.00 0.24 O ATOM 0 H TYR A 49 -10.237 4.442 5.594 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.885 3.326 4.728 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.069 3.318 3.548 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.296 2.199 2.989 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.510 3.117 2.112 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.095 5.625 2.882 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.502 4.900 0.689 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.082 7.413 1.465 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.809 8.040 0.171 1.00 0.24 H new ATOM 769 N SER A 50 -12.178 1.656 6.651 1.00 0.12 N ATOM 770 CA SER A 50 -11.942 0.393 7.396 1.00 0.13 C ATOM 771 C SER A 50 -12.414 -0.779 6.532 1.00 0.13 C ATOM 772 O SER A 50 -12.305 -1.929 6.906 1.00 0.14 O ATOM 773 CB SER A 50 -12.726 0.423 8.708 1.00 0.16 C ATOM 774 OG SER A 50 -14.074 0.787 8.439 1.00 0.17 O ATOM 0 H SER A 50 -12.881 2.275 7.055 1.00 0.12 H new ATOM 0 HA SER A 50 -10.881 0.280 7.621 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.690 -0.554 9.190 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.275 1.136 9.399 1.00 0.16 H new ATOM 0 HG SER A 50 -14.581 0.806 9.277 1.00 0.17 H new ATOM 780 N ASN A 51 -12.944 -0.485 5.370 1.00 0.13 N ATOM 781 CA ASN A 51 -13.434 -1.562 4.459 1.00 0.15 C ATOM 782 C ASN A 51 -12.341 -1.913 3.447 1.00 0.13 C ATOM 783 O ASN A 51 -12.489 -2.823 2.655 1.00 0.14 O ATOM 784 CB ASN A 51 -14.673 -1.063 3.710 1.00 0.17 C ATOM 785 CG ASN A 51 -15.162 -2.147 2.747 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.685 -2.246 1.634 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.101 -2.969 3.129 1.00 0.32 N ATOM 0 H ASN A 51 -13.058 0.463 5.012 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.686 -2.447 5.044 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.461 -0.810 4.419 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.435 -0.153 3.159 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.434 -3.694 2.493 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.502 -2.887 4.063 1.00 0.32 H new ATOM 794 N VAL A 52 -11.243 -1.195 3.472 1.00 0.11 N ATOM 795 CA VAL A 52 -10.116 -1.472 2.521 1.00 0.10 C ATOM 796 C VAL A 52 -8.886 -1.896 3.320 1.00 0.10 C ATOM 797 O VAL A 52 -8.705 -1.501 4.455 1.00 0.11 O ATOM 798 CB VAL A 52 -9.795 -0.204 1.730 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.514 -0.409 0.914 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.956 0.106 0.784 1.00 0.12 C ATOM 0 H VAL A 52 -11.077 -0.422 4.116 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.401 -2.266 1.831 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.650 0.626 2.421 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.291 0.498 0.353 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.686 -0.632 1.587 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.653 -1.239 0.221 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.732 1.010 0.217 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.098 -0.728 0.096 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.867 0.257 1.363 1.00 0.12 H new ATOM 810 N ILE A 53 -8.045 -2.709 2.740 1.00 0.09 N ATOM 811 CA ILE A 53 -6.820 -3.181 3.458 1.00 0.09 C ATOM 812 C ILE A 53 -5.611 -2.364 2.979 1.00 0.09 C ATOM 813 O ILE A 53 -5.405 -2.184 1.796 1.00 0.14 O ATOM 814 CB ILE A 53 -6.595 -4.664 3.134 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.947 -5.419 3.125 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.611 -5.290 4.140 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.776 -5.171 4.401 1.00 0.17 C ATOM 0 H ILE A 53 -8.153 -3.071 1.792 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.943 -3.053 4.533 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.154 -4.748 2.141 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.526 -5.109 2.255 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.761 -6.488 3.020 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.462 -6.342 3.897 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.656 -4.767 4.089 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -6.018 -5.205 5.148 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.713 -5.725 4.340 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.213 -5.506 5.272 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.989 -4.106 4.495 1.00 0.17 H new ATOM 829 N PHE A 54 -4.813 -1.870 3.892 1.00 0.08 N ATOM 830 CA PHE A 54 -3.607 -1.059 3.512 1.00 0.08 C ATOM 831 C PHE A 54 -2.341 -1.804 3.926 1.00 0.08 C ATOM 832 O PHE A 54 -2.247 -2.325 5.018 1.00 0.11 O ATOM 833 CB PHE A 54 -3.657 0.285 4.237 1.00 0.08 C ATOM 834 CG PHE A 54 -4.876 1.045 3.778 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.928 1.546 2.464 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.959 1.249 4.654 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.062 2.253 2.025 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.095 1.957 4.215 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.145 2.459 2.900 1.00 0.09 C ATOM 0 H PHE A 54 -4.944 -1.993 4.896 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.600 -0.899 2.434 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.694 0.130 5.315 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.754 0.859 4.028 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.097 1.388 1.793 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.919 0.863 5.662 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.102 2.638 1.017 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.927 2.115 4.886 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.015 3.003 2.563 1.00 0.09 H new ATOM 849 N LEU A 55 -1.366 -1.860 3.056 1.00 0.08 N ATOM 850 CA LEU A 55 -0.085 -2.569 3.374 1.00 0.09 C ATOM 851 C LEU A 55 1.055 -1.542 3.397 1.00 0.09 C ATOM 852 O LEU A 55 0.886 -0.400 3.019 1.00 0.10 O ATOM 853 CB LEU A 55 0.202 -3.621 2.287 1.00 0.10 C ATOM 854 CG LEU A 55 -0.586 -4.916 2.548 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.082 -4.615 2.751 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.402 -5.853 1.347 1.00 0.12 C ATOM 0 H LEU A 55 -1.401 -1.440 2.127 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.165 -3.062 4.343 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.065 -3.220 1.309 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.269 -3.840 2.261 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.210 -5.388 3.456 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.619 -5.546 2.934 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.207 -3.950 3.606 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.481 -4.136 1.857 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.955 -6.776 1.518 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.776 -5.367 0.446 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.656 -6.082 1.223 1.00 0.12 H new ATOM 868 N GLU A 56 2.219 -1.951 3.828 1.00 0.09 N ATOM 869 CA GLU A 56 3.388 -1.021 3.870 1.00 0.09 C ATOM 870 C GLU A 56 4.640 -1.823 3.522 1.00 0.09 C ATOM 871 O GLU A 56 4.764 -2.975 3.889 1.00 0.10 O ATOM 872 CB GLU A 56 3.522 -0.422 5.274 1.00 0.09 C ATOM 873 CG GLU A 56 4.601 0.668 5.271 1.00 0.11 C ATOM 874 CD GLU A 56 4.476 1.512 6.542 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.405 2.050 6.770 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.455 1.607 7.264 1.00 1.31 O ATOM 0 H GLU A 56 2.412 -2.897 4.156 1.00 0.09 H new ATOM 0 HA GLU A 56 3.253 -0.206 3.159 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.568 -0.002 5.593 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.782 -1.202 5.989 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.591 0.215 5.218 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.492 1.300 4.390 1.00 0.11 H new ATOM 883 N VAL A 57 5.562 -1.240 2.794 1.00 0.08 N ATOM 884 CA VAL A 57 6.797 -1.990 2.397 1.00 0.08 C ATOM 885 C VAL A 57 8.031 -1.088 2.528 1.00 0.09 C ATOM 886 O VAL A 57 8.002 0.083 2.194 1.00 0.14 O ATOM 887 CB VAL A 57 6.664 -2.445 0.934 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.999 -3.029 0.453 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.577 -3.518 0.815 1.00 0.09 C ATOM 0 H VAL A 57 5.513 -0.278 2.458 1.00 0.08 H new ATOM 0 HA VAL A 57 6.913 -2.854 3.052 1.00 0.08 H new ATOM 0 HB VAL A 57 6.394 -1.585 0.321 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.903 -3.351 -0.584 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.776 -2.268 0.526 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.268 -3.883 1.075 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.490 -3.834 -0.225 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.843 -4.375 1.434 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.624 -3.109 1.151 1.00 0.09 H new ATOM 899 N ASP A 58 9.123 -1.651 2.987 1.00 0.09 N ATOM 900 CA ASP A 58 10.391 -0.875 3.124 1.00 0.09 C ATOM 901 C ASP A 58 11.257 -1.171 1.895 1.00 0.10 C ATOM 902 O ASP A 58 11.978 -2.148 1.848 1.00 0.11 O ATOM 903 CB ASP A 58 11.123 -1.317 4.397 1.00 0.11 C ATOM 904 CG ASP A 58 12.162 -0.264 4.795 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.764 0.767 5.313 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.337 -0.506 4.580 1.00 1.06 O ATOM 0 H ASP A 58 9.188 -2.627 3.275 1.00 0.09 H new ATOM 0 HA ASP A 58 10.185 0.193 3.192 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.408 -1.459 5.207 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.611 -2.277 4.231 1.00 0.11 H new ATOM 911 N VAL A 59 11.163 -0.348 0.891 1.00 0.12 N ATOM 912 CA VAL A 59 11.943 -0.582 -0.358 1.00 0.15 C ATOM 913 C VAL A 59 13.438 -0.733 -0.065 1.00 0.18 C ATOM 914 O VAL A 59 14.215 -0.973 -0.966 1.00 0.27 O ATOM 915 CB VAL A 59 11.741 0.608 -1.300 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.330 0.566 -1.882 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.928 1.912 -0.520 1.00 0.22 C ATOM 0 H VAL A 59 10.574 0.485 0.880 1.00 0.12 H new ATOM 0 HA VAL A 59 11.588 -1.505 -0.815 1.00 0.15 H new ATOM 0 HB VAL A 59 12.470 0.557 -2.109 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.188 1.414 -2.552 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.193 -0.362 -2.437 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.601 0.617 -1.073 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.785 2.760 -1.189 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.198 1.960 0.288 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.934 1.945 -0.103 1.00 0.22 H new ATOM 927 N ASP A 60 13.858 -0.581 1.169 1.00 0.16 N ATOM 928 CA ASP A 60 15.322 -0.693 1.494 1.00 0.18 C ATOM 929 C ASP A 60 15.605 -1.923 2.363 1.00 0.17 C ATOM 930 O ASP A 60 16.622 -2.569 2.211 1.00 0.18 O ATOM 931 CB ASP A 60 15.756 0.568 2.243 1.00 0.21 C ATOM 932 CG ASP A 60 15.128 1.792 1.578 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.186 1.874 0.366 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.597 2.625 2.292 1.00 1.08 O ATOM 0 H ASP A 60 13.253 -0.384 1.966 1.00 0.16 H new ATOM 0 HA ASP A 60 15.881 -0.799 0.564 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.448 0.509 3.287 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.843 0.653 2.236 1.00 0.21 H new ATOM 939 N ASP A 61 14.732 -2.251 3.280 1.00 0.17 N ATOM 940 CA ASP A 61 14.977 -3.438 4.161 1.00 0.17 C ATOM 941 C ASP A 61 14.264 -4.667 3.580 1.00 0.16 C ATOM 942 O ASP A 61 14.570 -5.789 3.931 1.00 0.18 O ATOM 943 CB ASP A 61 14.460 -3.132 5.577 1.00 0.19 C ATOM 944 CG ASP A 61 14.352 -4.426 6.393 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.302 -5.045 6.348 1.00 1.07 O ATOM 946 OD2 ASP A 61 15.323 -4.774 7.045 1.00 1.12 O ATOM 0 H ASP A 61 13.861 -1.751 3.459 1.00 0.17 H new ATOM 0 HA ASP A 61 16.045 -3.649 4.212 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.134 -2.435 6.075 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.485 -2.648 5.519 1.00 0.19 H new ATOM 951 N ALA A 62 13.329 -4.463 2.683 1.00 0.16 N ATOM 952 CA ALA A 62 12.598 -5.614 2.054 1.00 0.16 C ATOM 953 C ALA A 62 12.775 -5.532 0.538 1.00 0.16 C ATOM 954 O ALA A 62 11.826 -5.596 -0.218 1.00 0.15 O ATOM 955 CB ALA A 62 11.109 -5.534 2.400 1.00 0.17 C ATOM 0 H ALA A 62 13.037 -3.542 2.356 1.00 0.16 H new ATOM 0 HA ALA A 62 12.998 -6.556 2.429 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.583 -6.371 1.941 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.984 -5.576 3.482 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.698 -4.597 2.024 1.00 0.17 H new ATOM 961 N GLN A 63 13.993 -5.380 0.093 1.00 0.20 N ATOM 962 CA GLN A 63 14.258 -5.279 -1.370 1.00 0.22 C ATOM 963 C GLN A 63 13.668 -6.493 -2.096 1.00 0.20 C ATOM 964 O GLN A 63 13.537 -6.498 -3.304 1.00 0.20 O ATOM 965 CB GLN A 63 15.773 -5.220 -1.608 1.00 0.29 C ATOM 966 CG GLN A 63 16.479 -6.196 -0.664 1.00 0.90 C ATOM 967 CD GLN A 63 17.936 -6.363 -1.100 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.208 -6.726 -2.226 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.893 -6.110 -0.248 1.00 2.22 N ATOM 0 H GLN A 63 14.821 -5.321 0.685 1.00 0.20 H new ATOM 0 HA GLN A 63 13.791 -4.374 -1.759 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.999 -5.473 -2.644 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.139 -4.207 -1.440 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.435 -5.825 0.360 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.972 -7.161 -0.675 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.666 -5.805 0.698 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.868 -6.217 -0.529 1.00 2.22 H new ATOM 978 N ASP A 64 13.313 -7.523 -1.379 1.00 0.19 N ATOM 979 CA ASP A 64 12.740 -8.723 -2.048 1.00 0.20 C ATOM 980 C ASP A 64 11.338 -8.395 -2.567 1.00 0.17 C ATOM 981 O ASP A 64 10.950 -8.816 -3.638 1.00 0.19 O ATOM 982 CB ASP A 64 12.669 -9.878 -1.046 1.00 0.22 C ATOM 983 CG ASP A 64 12.154 -9.362 0.299 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.912 -8.697 0.986 1.00 1.09 O ATOM 985 OD2 ASP A 64 11.011 -9.641 0.620 1.00 1.11 O ATOM 0 H ASP A 64 13.394 -7.585 -0.364 1.00 0.19 H new ATOM 0 HA ASP A 64 13.373 -9.014 -2.886 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.010 -10.660 -1.423 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.655 -10.325 -0.921 1.00 0.22 H new ATOM 990 N VAL A 65 10.578 -7.636 -1.826 1.00 0.15 N ATOM 991 CA VAL A 65 9.211 -7.274 -2.291 1.00 0.16 C ATOM 992 C VAL A 65 9.333 -6.228 -3.402 1.00 0.16 C ATOM 993 O VAL A 65 8.720 -6.337 -4.445 1.00 0.19 O ATOM 994 CB VAL A 65 8.408 -6.696 -1.123 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.951 -6.496 -1.545 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.462 -7.664 0.061 1.00 0.18 C ATOM 0 H VAL A 65 10.845 -7.252 -0.920 1.00 0.15 H new ATOM 0 HA VAL A 65 8.699 -8.159 -2.669 1.00 0.16 H new ATOM 0 HB VAL A 65 8.836 -5.736 -0.834 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.384 -6.084 -0.710 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.908 -5.807 -2.388 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.522 -7.454 -1.838 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.890 -7.253 0.893 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.036 -8.623 -0.233 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.498 -7.806 0.368 1.00 0.18 H new ATOM 1006 N ALA A 66 10.129 -5.216 -3.183 1.00 0.16 N ATOM 1007 CA ALA A 66 10.308 -4.161 -4.223 1.00 0.18 C ATOM 1008 C ALA A 66 10.930 -4.782 -5.472 1.00 0.19 C ATOM 1009 O ALA A 66 10.634 -4.394 -6.586 1.00 0.20 O ATOM 1010 CB ALA A 66 11.237 -3.069 -3.685 1.00 0.22 C ATOM 0 H ALA A 66 10.664 -5.074 -2.327 1.00 0.16 H new ATOM 0 HA ALA A 66 9.340 -3.727 -4.473 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.369 -2.297 -4.443 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.799 -2.627 -2.790 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.205 -3.504 -3.438 1.00 0.22 H new ATOM 1016 N SER A 67 11.795 -5.745 -5.298 1.00 0.21 N ATOM 1017 CA SER A 67 12.441 -6.389 -6.473 1.00 0.26 C ATOM 1018 C SER A 67 11.382 -7.109 -7.313 1.00 0.26 C ATOM 1019 O SER A 67 11.306 -6.937 -8.513 1.00 0.29 O ATOM 1020 CB SER A 67 13.486 -7.396 -5.991 1.00 0.31 C ATOM 1021 OG SER A 67 14.611 -6.697 -5.473 1.00 1.29 O ATOM 0 H SER A 67 12.081 -6.113 -4.391 1.00 0.21 H new ATOM 0 HA SER A 67 12.926 -5.627 -7.083 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.059 -8.040 -5.223 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.792 -8.041 -6.814 1.00 0.31 H new ATOM 0 HG SER A 67 14.578 -6.704 -4.494 1.00 1.29 H new ATOM 1027 N GLU A 68 10.568 -7.919 -6.692 1.00 0.26 N ATOM 1028 CA GLU A 68 9.518 -8.652 -7.455 1.00 0.30 C ATOM 1029 C GLU A 68 8.532 -7.654 -8.071 1.00 0.31 C ATOM 1030 O GLU A 68 7.997 -7.875 -9.138 1.00 0.36 O ATOM 1031 CB GLU A 68 8.767 -9.594 -6.511 1.00 0.31 C ATOM 1032 CG GLU A 68 7.901 -10.555 -7.328 1.00 0.39 C ATOM 1033 CD GLU A 68 7.100 -11.450 -6.381 1.00 1.43 C ATOM 1034 OE1 GLU A 68 7.044 -11.134 -5.204 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.555 -12.436 -6.848 1.00 2.19 O ATOM 0 H GLU A 68 10.585 -8.105 -5.689 1.00 0.26 H new ATOM 0 HA GLU A 68 9.989 -9.230 -8.251 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.475 -10.155 -5.901 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.143 -9.019 -5.827 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.225 -9.994 -7.973 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.529 -11.165 -7.978 1.00 0.39 H new ATOM 1042 N ALA A 69 8.283 -6.556 -7.405 1.00 0.29 N ATOM 1043 CA ALA A 69 7.327 -5.545 -7.952 1.00 0.31 C ATOM 1044 C ALA A 69 8.075 -4.583 -8.883 1.00 0.29 C ATOM 1045 O ALA A 69 7.499 -3.674 -9.447 1.00 0.33 O ATOM 1046 CB ALA A 69 6.696 -4.765 -6.791 1.00 0.31 C ATOM 0 H ALA A 69 8.700 -6.315 -6.506 1.00 0.29 H new ATOM 0 HA ALA A 69 6.542 -6.048 -8.517 1.00 0.31 H new ATOM 0 HB1 ALA A 69 5.998 -4.027 -7.186 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.163 -5.455 -6.136 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.478 -4.259 -6.225 1.00 0.31 H new ATOM 1052 N GLU A 70 9.353 -4.782 -9.056 1.00 0.27 N ATOM 1053 CA GLU A 70 10.137 -3.887 -9.956 1.00 0.29 C ATOM 1054 C GLU A 70 9.848 -2.418 -9.623 1.00 0.25 C ATOM 1055 O GLU A 70 9.491 -1.639 -10.483 1.00 0.26 O ATOM 1056 CB GLU A 70 9.751 -4.164 -11.412 1.00 0.38 C ATOM 1057 CG GLU A 70 10.065 -5.621 -11.761 1.00 1.18 C ATOM 1058 CD GLU A 70 11.575 -5.793 -11.943 1.00 1.61 C ATOM 1059 OE1 GLU A 70 12.148 -5.041 -12.714 1.00 2.06 O ATOM 1060 OE2 GLU A 70 12.132 -6.674 -11.309 1.00 2.34 O ATOM 0 H GLU A 70 9.890 -5.527 -8.612 1.00 0.27 H new ATOM 0 HA GLU A 70 11.200 -4.082 -9.813 1.00 0.29 H new ATOM 0 HB2 GLU A 70 8.690 -3.965 -11.561 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.297 -3.495 -12.077 1.00 0.38 H new ATOM 0 HG2 GLU A 70 9.707 -6.280 -10.970 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.544 -5.907 -12.675 1.00 1.18 H new ATOM 1067 N VAL A 71 10.015 -2.029 -8.386 1.00 0.22 N ATOM 1068 CA VAL A 71 9.765 -0.606 -8.010 1.00 0.19 C ATOM 1069 C VAL A 71 10.974 0.239 -8.421 1.00 0.23 C ATOM 1070 O VAL A 71 12.101 -0.094 -8.113 1.00 0.28 O ATOM 1071 CB VAL A 71 9.564 -0.503 -6.498 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.190 0.933 -6.134 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.437 -1.445 -6.070 1.00 0.19 C ATOM 0 H VAL A 71 10.313 -2.634 -7.621 1.00 0.22 H new ATOM 0 HA VAL A 71 8.871 -0.244 -8.518 1.00 0.19 H new ATOM 0 HB VAL A 71 10.486 -0.781 -5.987 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.046 1.009 -5.056 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.990 1.606 -6.442 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.267 1.209 -6.644 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.292 -1.373 -4.992 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.515 -1.165 -6.580 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.700 -2.470 -6.333 1.00 0.19 H new ATOM 1083 N LYS A 72 10.748 1.326 -9.120 1.00 0.24 N ATOM 1084 CA LYS A 72 11.881 2.204 -9.568 1.00 0.29 C ATOM 1085 C LYS A 72 11.673 3.626 -9.040 1.00 0.26 C ATOM 1086 O LYS A 72 12.503 4.492 -9.233 1.00 0.27 O ATOM 1087 CB LYS A 72 11.921 2.246 -11.097 1.00 0.35 C ATOM 1088 CG LYS A 72 12.020 0.823 -11.660 1.00 0.43 C ATOM 1089 CD LYS A 72 13.328 0.160 -11.192 1.00 1.16 C ATOM 1090 CE LYS A 72 13.721 -0.968 -12.155 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.654 -1.906 -11.468 1.00 2.40 N ATOM 0 H LYS A 72 9.822 1.646 -9.402 1.00 0.24 H new ATOM 0 HA LYS A 72 12.817 1.801 -9.182 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.025 2.735 -11.479 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.774 2.838 -11.430 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.165 0.233 -11.330 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.987 0.851 -12.749 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.125 0.902 -11.145 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.203 -0.238 -10.185 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.831 -1.502 -12.488 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.195 -0.553 -13.044 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.920 -2.671 -12.121 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 15.507 -1.391 -11.171 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.186 -2.311 -10.632 1.00 2.40 H new ATOM 1105 N ALA A 73 10.575 3.879 -8.382 1.00 0.22 N ATOM 1106 CA ALA A 73 10.325 5.255 -7.852 1.00 0.20 C ATOM 1107 C ALA A 73 9.423 5.170 -6.619 1.00 0.18 C ATOM 1108 O ALA A 73 8.503 4.382 -6.578 1.00 0.16 O ATOM 1109 CB ALA A 73 9.645 6.101 -8.938 1.00 0.21 C ATOM 0 H ALA A 73 9.841 3.198 -8.188 1.00 0.22 H new ATOM 0 HA ALA A 73 11.271 5.719 -7.572 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.461 7.105 -8.555 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.293 6.159 -9.813 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.698 5.640 -9.218 1.00 0.21 H new ATOM 1115 N THR A 74 9.674 5.986 -5.618 1.00 0.18 N ATOM 1116 CA THR A 74 8.820 5.965 -4.382 1.00 0.17 C ATOM 1117 C THR A 74 8.201 7.365 -4.185 1.00 0.17 C ATOM 1118 O THR A 74 8.821 8.347 -4.542 1.00 0.19 O ATOM 1119 CB THR A 74 9.691 5.645 -3.147 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.885 6.408 -3.216 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.059 4.147 -3.077 1.00 0.19 C ATOM 0 H THR A 74 10.434 6.666 -5.604 1.00 0.18 H new ATOM 0 HA THR A 74 8.044 5.207 -4.493 1.00 0.17 H new ATOM 0 HB THR A 74 9.117 5.895 -2.255 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.444 6.212 -2.435 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.672 3.964 -2.194 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.148 3.551 -3.017 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.617 3.867 -3.971 1.00 0.19 H new ATOM 1129 N PRO A 75 7.023 7.443 -3.586 1.00 0.17 N ATOM 1130 CA PRO A 75 6.228 6.277 -3.129 1.00 0.16 C ATOM 1131 C PRO A 75 5.531 5.611 -4.325 1.00 0.14 C ATOM 1132 O PRO A 75 5.175 6.264 -5.286 1.00 0.14 O ATOM 1133 CB PRO A 75 5.180 6.881 -2.165 1.00 0.17 C ATOM 1134 CG PRO A 75 5.235 8.428 -2.334 1.00 0.20 C ATOM 1135 CD PRO A 75 6.414 8.749 -3.281 1.00 0.19 C ATOM 0 HA PRO A 75 6.841 5.512 -2.652 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.183 6.504 -2.395 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.397 6.599 -1.135 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.298 8.802 -2.747 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.375 8.915 -1.369 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.068 9.245 -4.188 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.131 9.418 -2.806 1.00 0.19 H new ATOM 1143 N THR A 76 5.315 4.316 -4.254 1.00 0.13 N ATOM 1144 CA THR A 76 4.612 3.595 -5.369 1.00 0.12 C ATOM 1145 C THR A 76 3.325 3.006 -4.806 1.00 0.12 C ATOM 1146 O THR A 76 3.347 2.258 -3.849 1.00 0.18 O ATOM 1147 CB THR A 76 5.484 2.445 -5.920 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.842 2.850 -5.945 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.039 2.083 -7.343 1.00 0.13 C ATOM 0 H THR A 76 5.596 3.726 -3.471 1.00 0.13 H new ATOM 0 HA THR A 76 4.411 4.295 -6.180 1.00 0.12 H new ATOM 0 HB THR A 76 5.370 1.574 -5.275 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.900 3.784 -6.237 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.660 1.271 -7.723 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.996 1.766 -7.329 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.145 2.954 -7.990 1.00 0.13 H new ATOM 1157 N PHE A 77 2.207 3.320 -5.399 1.00 0.09 N ATOM 1158 CA PHE A 77 0.915 2.761 -4.908 1.00 0.09 C ATOM 1159 C PHE A 77 0.501 1.634 -5.836 1.00 0.09 C ATOM 1160 O PHE A 77 0.238 1.842 -7.004 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.165 3.839 -4.902 1.00 0.10 C ATOM 1162 CG PHE A 77 0.142 4.830 -3.812 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.125 4.494 -2.472 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.696 6.085 -4.132 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.162 5.416 -1.447 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.985 7.006 -3.109 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.719 6.676 -1.767 1.00 0.12 C ATOM 0 H PHE A 77 2.132 3.941 -6.205 1.00 0.09 H new ATOM 0 HA PHE A 77 1.039 2.393 -3.890 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.202 4.341 -5.869 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.145 3.390 -4.739 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.549 3.531 -2.230 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.899 6.340 -5.162 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.043 5.161 -0.418 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.412 7.968 -3.354 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.940 7.384 -0.982 1.00 0.12 H new ATOM 1177 N GLN A 78 0.449 0.439 -5.321 1.00 0.07 N ATOM 1178 CA GLN A 78 0.060 -0.737 -6.147 1.00 0.07 C ATOM 1179 C GLN A 78 -1.233 -1.305 -5.578 1.00 0.06 C ATOM 1180 O GLN A 78 -1.429 -1.347 -4.378 1.00 0.07 O ATOM 1181 CB GLN A 78 1.177 -1.783 -6.086 1.00 0.08 C ATOM 1182 CG GLN A 78 2.536 -1.089 -6.206 1.00 0.12 C ATOM 1183 CD GLN A 78 3.604 -2.111 -6.604 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.677 -2.139 -6.034 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.353 -2.959 -7.564 1.00 1.03 N ATOM 0 H GLN A 78 0.663 0.224 -4.347 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.092 -0.451 -7.188 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.121 -2.336 -5.148 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.055 -2.508 -6.891 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.485 -0.294 -6.950 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.802 -0.622 -5.258 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.453 -2.936 -8.043 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.057 -3.645 -7.836 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.130 -1.710 -6.433 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.445 -2.244 -5.968 1.00 0.07 C ATOM 1196 C PHE A 79 -3.517 -3.747 -6.217 1.00 0.07 C ATOM 1197 O PHE A 79 -3.316 -4.218 -7.319 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.562 -1.539 -6.742 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.558 -0.072 -6.378 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.506 0.751 -6.810 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.590 0.467 -5.592 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.482 2.114 -6.461 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.570 1.825 -5.234 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.518 2.650 -5.668 1.00 0.11 C ATOM 0 H PHE A 79 -2.009 -1.694 -7.446 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.558 -2.061 -4.899 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.413 -1.662 -7.815 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.527 -1.985 -6.501 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.712 0.336 -7.413 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.401 -0.165 -5.262 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.674 2.747 -6.799 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.363 2.235 -4.626 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.503 3.695 -5.394 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.820 -4.498 -5.188 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.931 -5.980 -5.321 1.00 0.08 C ATOM 1216 C PHE A 80 -5.323 -6.396 -4.863 1.00 0.11 C ATOM 1217 O PHE A 80 -5.960 -5.714 -4.085 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.881 -6.666 -4.442 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.512 -6.510 -5.063 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.105 -7.368 -6.105 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.639 -5.511 -4.595 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.175 -7.224 -6.675 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.639 -5.368 -5.164 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.047 -6.224 -6.203 1.00 0.14 C ATOM 0 H PHE A 80 -3.997 -4.140 -4.249 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.765 -6.273 -6.358 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.889 -6.230 -3.443 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.121 -7.723 -4.330 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.774 -8.135 -6.466 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.951 -4.853 -3.797 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.488 -7.880 -7.474 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.308 -4.601 -4.803 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.029 -6.114 -6.639 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.805 -7.501 -5.342 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.160 -7.954 -4.938 1.00 0.14 C ATOM 1236 C LYS A 81 -7.226 -9.460 -5.126 1.00 0.14 C ATOM 1237 O LYS A 81 -6.978 -9.964 -6.203 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.211 -7.258 -5.822 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.615 -7.383 -5.203 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.543 -6.323 -5.812 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.937 -6.439 -5.191 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.595 -7.683 -5.680 1.00 1.48 N ATOM 0 H LYS A 81 -5.319 -8.113 -5.998 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.360 -7.703 -3.896 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.953 -6.206 -5.941 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.207 -7.702 -6.818 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.016 -8.380 -5.385 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.560 -7.254 -4.122 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.138 -5.327 -5.636 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.603 -6.456 -6.892 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.862 -6.457 -4.104 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.538 -5.569 -5.455 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.610 -7.506 -5.821 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.165 -7.972 -6.582 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.470 -8.441 -4.979 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.549 -10.182 -4.089 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.630 -11.664 -4.202 1.00 0.20 C ATOM 1258 C LYS A 82 -6.294 -12.228 -4.700 1.00 0.20 C ATOM 1259 O LYS A 82 -6.228 -13.334 -5.201 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.754 -12.033 -5.185 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.122 -11.960 -4.482 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.266 -11.764 -5.503 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.032 -12.589 -6.777 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.331 -12.817 -7.469 1.00 1.67 N ATOM 0 H LYS A 82 -7.761 -9.807 -3.164 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.845 -12.092 -3.223 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.739 -11.354 -6.038 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.591 -13.038 -5.575 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.291 -12.875 -3.914 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.123 -11.136 -3.768 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -12.214 -12.055 -5.049 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.347 -10.708 -5.762 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.342 -12.066 -7.440 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.570 -13.544 -6.525 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.171 -13.376 -8.332 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.975 -13.333 -6.836 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.754 -11.902 -7.723 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.227 -11.490 -4.553 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.894 -11.995 -5.003 1.00 0.21 C ATOM 1280 C GLY A 83 -3.588 -11.514 -6.423 1.00 0.19 C ATOM 1281 O GLY A 83 -2.540 -11.808 -6.963 1.00 0.22 O ATOM 0 H GLY A 83 -5.219 -10.557 -4.140 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.118 -11.648 -4.320 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.882 -13.084 -4.972 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.491 -10.789 -7.043 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.241 -10.301 -8.445 1.00 0.17 C ATOM 1287 C GLN A 84 -4.046 -8.783 -8.459 1.00 0.16 C ATOM 1288 O GLN A 84 -4.635 -8.060 -7.681 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.443 -10.637 -9.328 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.790 -12.122 -9.189 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.598 -12.970 -9.629 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.514 -13.377 -10.771 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.667 -13.259 -8.764 1.00 2.08 N ATOM 0 H GLN A 84 -5.388 -10.513 -6.643 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.342 -10.789 -8.821 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.299 -10.026 -9.041 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.218 -10.402 -10.368 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -6.050 -12.350 -8.155 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.663 -12.360 -9.797 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.738 -12.917 -7.806 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -2.868 -13.827 -9.046 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.234 -8.299 -9.365 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.003 -6.829 -9.468 1.00 0.17 C ATOM 1304 C LYS A 85 -4.085 -6.229 -10.367 1.00 0.16 C ATOM 1305 O LYS A 85 -4.471 -6.821 -11.355 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.619 -6.566 -10.062 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.197 -5.131 -9.723 1.00 0.25 C ATOM 1308 CD LYS A 85 0.137 -4.792 -10.391 1.00 0.30 C ATOM 1309 CE LYS A 85 1.218 -5.801 -9.979 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.138 -7.004 -10.857 1.00 1.70 N ATOM 0 H LYS A 85 -2.719 -8.864 -10.041 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.050 -6.370 -8.480 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.896 -7.276 -9.661 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.640 -6.708 -11.143 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.965 -4.432 -10.055 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.108 -5.017 -8.643 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.020 -4.799 -11.475 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.445 -3.785 -10.110 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.205 -5.345 -10.058 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.083 -6.089 -8.937 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 0.934 -7.844 -10.278 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.379 -6.874 -11.556 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.044 -7.135 -11.350 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.596 -5.072 -10.019 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.681 -4.436 -10.837 1.00 0.16 C ATOM 1326 C VAL A 86 -5.254 -3.041 -11.314 1.00 0.18 C ATOM 1327 O VAL A 86 -5.788 -2.524 -12.275 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.938 -4.318 -9.974 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.476 -5.716 -9.664 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.595 -3.607 -8.660 1.00 0.17 C ATOM 0 H VAL A 86 -4.308 -4.537 -9.200 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.878 -5.053 -11.714 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.693 -3.745 -10.513 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.372 -5.633 -9.049 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.721 -6.226 -10.595 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.719 -6.286 -9.126 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.492 -3.524 -8.046 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.840 -4.180 -8.123 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.209 -2.611 -8.875 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.305 -2.422 -10.663 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.873 -1.062 -11.111 1.00 0.18 C ATOM 1342 C GLY A 87 -2.686 -0.581 -10.272 1.00 0.10 C ATOM 1343 O GLY A 87 -2.277 -1.230 -9.330 1.00 0.08 O ATOM 0 H GLY A 87 -3.814 -2.792 -9.849 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.595 -1.089 -12.165 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.702 -0.360 -11.018 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.126 0.553 -10.610 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.962 1.070 -9.831 1.00 0.10 C ATOM 1349 C GLU A 88 -0.578 2.469 -10.307 1.00 0.10 C ATOM 1350 O GLU A 88 -0.831 2.851 -11.433 1.00 0.11 O ATOM 1351 CB GLU A 88 0.232 0.136 -10.021 1.00 0.17 C ATOM 1352 CG GLU A 88 0.433 -0.134 -11.513 1.00 0.25 C ATOM 1353 CD GLU A 88 1.654 -1.034 -11.710 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.469 -1.099 -10.806 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.752 -1.643 -12.764 1.00 1.94 O ATOM 0 H GLU A 88 -2.424 1.141 -11.389 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.241 1.115 -8.778 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.130 0.585 -9.597 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.063 -0.801 -9.490 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.454 -0.611 -11.930 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.571 0.806 -12.048 1.00 0.25 H new ATOM 1362 N PHE A 89 0.055 3.226 -9.452 1.00 0.09 N ATOM 1363 CA PHE A 89 0.489 4.597 -9.844 1.00 0.09 C ATOM 1364 C PHE A 89 1.421 5.176 -8.771 1.00 0.09 C ATOM 1365 O PHE A 89 1.158 5.083 -7.592 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.731 5.515 -10.059 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.330 5.960 -8.738 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.678 6.939 -7.954 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.547 5.406 -8.294 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.244 7.353 -6.735 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.110 5.824 -7.075 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.459 6.798 -6.295 1.00 0.11 C ATOM 0 H PHE A 89 0.290 2.953 -8.498 1.00 0.09 H new ATOM 0 HA PHE A 89 1.033 4.536 -10.786 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.433 6.389 -10.638 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.486 4.988 -10.643 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.254 7.369 -8.291 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.049 4.659 -8.891 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.744 8.099 -6.135 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.043 5.397 -6.737 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.892 7.119 -5.359 1.00 0.11 H new ATOM 1382 N SER A 90 2.510 5.779 -9.181 1.00 0.13 N ATOM 1383 CA SER A 90 3.476 6.383 -8.202 1.00 0.14 C ATOM 1384 C SER A 90 3.357 7.911 -8.265 1.00 0.14 C ATOM 1385 O SER A 90 2.557 8.448 -9.005 1.00 0.17 O ATOM 1386 CB SER A 90 4.896 5.964 -8.583 1.00 0.15 C ATOM 1387 OG SER A 90 5.367 6.796 -9.637 1.00 0.16 O ATOM 0 H SER A 90 2.776 5.881 -10.160 1.00 0.13 H new ATOM 0 HA SER A 90 3.253 6.040 -7.192 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.555 6.045 -7.719 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.907 4.920 -8.896 1.00 0.15 H new ATOM 0 HG SER A 90 6.296 7.053 -9.460 1.00 0.16 H new ATOM 1393 N GLY A 91 4.146 8.616 -7.493 1.00 0.12 N ATOM 1394 CA GLY A 91 4.084 10.114 -7.504 1.00 0.13 C ATOM 1395 C GLY A 91 3.275 10.599 -6.300 1.00 0.13 C ATOM 1396 O GLY A 91 2.217 10.080 -6.000 1.00 0.13 O ATOM 0 H GLY A 91 4.834 8.219 -6.853 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.091 10.531 -7.471 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.625 10.463 -8.429 1.00 0.13 H new ATOM 1400 N ALA A 92 3.767 11.585 -5.599 1.00 0.15 N ATOM 1401 CA ALA A 92 3.027 12.092 -4.408 1.00 0.17 C ATOM 1402 C ALA A 92 1.631 12.573 -4.816 1.00 0.15 C ATOM 1403 O ALA A 92 1.434 13.726 -5.142 1.00 0.16 O ATOM 1404 CB ALA A 92 3.805 13.256 -3.773 1.00 0.20 C ATOM 0 H ALA A 92 4.647 12.060 -5.799 1.00 0.15 H new ATOM 0 HA ALA A 92 2.926 11.282 -3.686 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.262 13.625 -2.903 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.791 12.909 -3.465 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.914 14.061 -4.500 1.00 0.20 H new ATOM 1410 N ASN A 93 0.660 11.701 -4.773 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.736 12.097 -5.128 1.00 0.13 C ATOM 1412 C ASN A 93 -1.684 11.430 -4.128 1.00 0.12 C ATOM 1413 O ASN A 93 -2.366 10.474 -4.439 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.053 11.634 -6.557 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.219 12.450 -7.114 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.325 12.642 -8.309 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.108 12.939 -6.293 1.00 1.15 N ATOM 0 H ASN A 93 0.774 10.723 -4.505 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.853 13.180 -5.085 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.175 11.755 -7.192 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.305 10.573 -6.559 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.892 13.482 -6.655 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.019 12.778 -5.290 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.706 11.918 -2.918 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.576 11.309 -1.873 1.00 0.20 C ATOM 1426 C LYS A 94 -4.054 11.432 -2.255 1.00 0.18 C ATOM 1427 O LYS A 94 -4.850 10.563 -1.961 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.336 12.013 -0.530 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.331 13.555 -0.715 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.886 14.092 -0.795 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.339 14.338 0.616 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.077 14.796 0.526 1.00 1.19 N ATOM 0 H LYS A 94 -1.155 12.718 -2.607 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.325 10.252 -1.788 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.113 11.729 0.180 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.385 11.689 -0.108 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.873 13.819 -1.623 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.854 14.027 0.117 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.252 13.377 -1.320 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.865 15.019 -1.369 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.943 15.088 1.127 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.400 13.424 1.206 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.470 14.898 1.483 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.635 14.097 -0.005 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.115 15.713 0.037 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.434 12.501 -2.895 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.864 12.659 -3.274 1.00 0.20 C ATOM 1448 C GLU A 95 -6.240 11.583 -4.292 1.00 0.17 C ATOM 1449 O GLU A 95 -7.388 11.207 -4.420 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.072 14.042 -3.894 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.833 15.121 -2.835 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.265 16.482 -3.387 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.771 16.856 -4.438 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.084 17.125 -2.751 1.00 1.86 O ATOM 0 H GLU A 95 -3.821 13.268 -3.171 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.492 12.557 -2.389 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.389 14.183 -4.732 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.084 14.125 -4.291 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.395 14.889 -1.930 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.779 15.147 -2.558 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.278 11.085 -5.017 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.569 10.034 -6.028 1.00 0.14 C ATOM 1463 C LYS A 96 -5.959 8.737 -5.325 1.00 0.12 C ATOM 1464 O LYS A 96 -6.829 8.021 -5.774 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.330 9.799 -6.894 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.632 8.733 -7.949 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.484 8.656 -8.975 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.668 9.716 -10.071 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.681 9.477 -11.163 1.00 2.05 N ATOM 0 H LYS A 96 -4.299 11.363 -4.952 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.395 10.361 -6.660 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.031 10.729 -7.378 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.494 9.481 -6.271 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.765 7.764 -7.469 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.567 8.969 -8.457 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.529 8.807 -8.472 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.455 7.663 -9.423 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.683 9.673 -10.467 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.531 10.714 -9.654 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.805 10.194 -11.906 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.717 9.539 -10.779 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.833 8.531 -11.567 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.327 8.418 -4.224 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.686 7.155 -3.518 1.00 0.11 C ATOM 1485 C LEU A 97 -7.198 7.112 -3.310 1.00 0.11 C ATOM 1486 O LEU A 97 -7.820 6.071 -3.383 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.998 7.098 -2.147 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.473 6.977 -2.313 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.789 7.380 -0.996 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.074 5.519 -2.689 1.00 0.13 C ATOM 0 H LEU A 97 -4.588 8.970 -3.789 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.359 6.307 -4.121 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.237 7.995 -1.576 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.376 6.248 -1.579 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.150 7.639 -3.117 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.708 7.296 -1.107 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.050 8.409 -0.751 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.124 6.720 -0.195 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.992 5.456 -2.802 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.397 4.839 -1.901 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.553 5.241 -3.628 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.793 8.239 -3.045 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.267 8.269 -2.826 1.00 0.14 C ATOM 1504 C GLU A 98 -9.986 7.915 -4.129 1.00 0.13 C ATOM 1505 O GLU A 98 -10.777 6.994 -4.185 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.682 9.673 -2.369 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.210 9.747 -2.208 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.868 10.016 -3.566 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.755 11.132 -4.047 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.475 9.102 -4.100 1.00 2.15 O ATOM 0 H GLU A 98 -7.324 9.142 -2.970 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.539 7.543 -2.060 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.197 9.914 -1.423 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.349 10.414 -3.096 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.586 8.812 -1.791 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.472 10.538 -1.505 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.721 8.647 -5.174 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.390 8.369 -6.476 1.00 0.14 C ATOM 1519 C ALA A 99 -10.082 6.940 -6.941 1.00 0.12 C ATOM 1520 O ALA A 99 -10.942 6.255 -7.454 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.888 9.364 -7.524 1.00 0.15 C ATOM 0 H ALA A 99 -9.067 9.430 -5.183 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.468 8.473 -6.350 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.375 9.164 -8.478 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.122 10.379 -7.203 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.809 9.259 -7.638 1.00 0.15 H new ATOM 1527 N THR A 100 -8.866 6.490 -6.781 1.00 0.11 N ATOM 1528 CA THR A 100 -8.513 5.110 -7.232 1.00 0.11 C ATOM 1529 C THR A 100 -9.242 4.079 -6.367 1.00 0.10 C ATOM 1530 O THR A 100 -9.842 3.149 -6.868 1.00 0.11 O ATOM 1531 CB THR A 100 -6.998 4.908 -7.117 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.337 6.078 -7.569 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.566 3.716 -7.974 1.00 0.12 C ATOM 0 H THR A 100 -8.102 7.017 -6.358 1.00 0.11 H new ATOM 0 HA THR A 100 -8.817 4.980 -8.271 1.00 0.11 H new ATOM 0 HB THR A 100 -6.736 4.714 -6.077 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.235 6.705 -6.823 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.488 3.578 -7.888 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.076 2.816 -7.629 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.826 3.904 -9.016 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.205 4.240 -5.074 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.909 3.272 -4.183 1.00 0.11 C ATOM 1543 C ILE A 101 -11.404 3.304 -4.517 1.00 0.13 C ATOM 1544 O ILE A 101 -12.027 2.281 -4.716 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.684 3.671 -2.708 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.233 3.332 -2.304 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.669 2.905 -1.804 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.826 4.103 -1.038 1.00 0.18 C ATOM 0 H ILE A 101 -8.719 4.998 -4.595 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.520 2.265 -4.335 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.854 4.741 -2.591 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.140 2.260 -2.128 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.555 3.581 -3.121 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.506 3.190 -0.765 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.692 3.149 -2.091 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.507 1.833 -1.916 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.800 3.849 -0.771 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.898 5.174 -1.226 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.491 3.833 -0.218 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.983 4.472 -4.582 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.437 4.572 -4.900 1.00 0.17 C ATOM 1562 C ASN A 102 -13.700 3.990 -6.290 1.00 0.18 C ATOM 1563 O ASN A 102 -14.820 3.675 -6.642 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.861 6.042 -4.874 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.388 6.138 -4.872 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.012 6.099 -5.914 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.021 6.261 -3.737 1.00 1.03 N ATOM 0 H ASN A 102 -11.511 5.363 -4.428 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.010 4.013 -4.160 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.455 6.532 -3.989 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.455 6.563 -5.741 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.039 6.324 -3.725 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.498 6.294 -2.862 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.676 3.851 -7.086 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.861 3.295 -8.456 1.00 0.18 C ATOM 1576 C GLU A 103 -13.028 1.773 -8.384 1.00 0.19 C ATOM 1577 O GLU A 103 -14.026 1.224 -8.804 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.626 3.633 -9.304 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.974 3.538 -10.793 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.845 4.730 -11.194 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.352 5.845 -11.135 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.989 4.508 -11.553 1.00 2.01 O ATOM 0 H GLU A 103 -11.716 4.099 -6.846 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.753 3.730 -8.907 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.275 4.637 -9.067 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.813 2.947 -9.067 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.062 3.524 -11.390 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.501 2.605 -10.995 1.00 0.22 H new ATOM 1589 N LEU A 104 -12.038 1.091 -7.872 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.101 -0.400 -7.782 1.00 0.19 C ATOM 1591 C LEU A 104 -12.676 -0.827 -6.428 1.00 0.19 C ATOM 1592 O LEU A 104 -12.479 -1.942 -5.985 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.685 -0.955 -7.944 1.00 0.17 C ATOM 1594 CG LEU A 104 -10.111 -0.534 -9.302 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.626 -0.899 -9.346 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.855 -1.251 -10.444 1.00 0.35 C ATOM 0 H LEU A 104 -11.180 1.506 -7.509 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.749 -0.789 -8.567 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -10.047 -0.588 -7.140 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.700 -2.042 -7.867 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.235 0.541 -9.429 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.207 -0.604 -10.308 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.100 -0.378 -8.546 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.512 -1.975 -9.215 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.436 -0.942 -11.402 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.743 -2.329 -10.330 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.913 -0.990 -10.409 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.396 0.040 -5.771 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.989 -0.331 -4.453 1.00 0.22 C ATOM 1610 C VAL A 105 -14.977 -1.482 -4.652 1.00 0.26 C ATOM 1611 O VAL A 105 -15.013 -2.359 -3.805 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.726 0.874 -3.866 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.757 1.386 -4.876 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.436 0.462 -2.572 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.680 -1.467 -5.650 1.00 1.18 O ATOM 0 H VAL A 105 -13.600 0.988 -6.088 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.197 -0.639 -3.770 1.00 0.22 H new ATOM 0 HB VAL A 105 -14.009 1.665 -3.648 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.282 2.245 -4.457 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.250 1.683 -5.794 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.474 0.595 -5.097 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.961 1.322 -2.155 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.152 -0.331 -2.787 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.701 0.102 -1.852 1.00 0.27 H new ATOM 1692 N ARG B 4 18.280 3.708 -1.580 1.00 0.00 N ATOM 1693 CA ARG B 4 17.955 2.850 -2.759 1.00 0.00 C ATOM 1694 C ARG B 4 17.825 3.746 -4.004 1.00 0.00 C ATOM 1695 O ARG B 4 18.819 4.156 -4.569 1.00 0.00 O ATOM 1696 CB ARG B 4 16.647 2.068 -2.479 1.00 0.00 C ATOM 1697 CG ARG B 4 16.962 0.602 -2.137 1.00 0.00 C ATOM 1698 CD ARG B 4 17.281 -0.182 -3.419 1.00 0.00 C ATOM 1699 NE ARG B 4 17.249 -1.639 -3.128 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.196 -2.498 -4.110 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.159 -2.077 -5.345 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.176 -3.777 -3.856 1.00 0.00 N ATOM 0 HA ARG B 4 18.748 2.124 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.107 2.533 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.995 2.113 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.808 0.554 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.112 0.149 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.557 0.061 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.263 0.103 -3.798 1.00 0.00 H new ATOM 0 HE ARG B 4 17.268 -1.968 -2.163 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.172 -1.077 -5.543 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.118 -2.748 -6.112 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.202 -4.106 -2.891 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.135 -4.449 -4.623 1.00 0.00 H new ATOM 1716 N TYR B 5 16.619 4.053 -4.440 1.00 0.00 N ATOM 1717 CA TYR B 5 16.439 4.921 -5.653 1.00 0.00 C ATOM 1718 C TYR B 5 15.808 6.270 -5.276 1.00 0.00 C ATOM 1719 O TYR B 5 15.705 6.627 -4.120 1.00 0.00 O ATOM 1720 CB TYR B 5 15.599 4.187 -6.715 1.00 0.00 C ATOM 1721 CG TYR B 5 14.504 3.360 -6.083 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.784 2.069 -5.595 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.199 3.862 -6.023 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.754 1.288 -5.035 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.167 3.085 -5.474 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.443 1.796 -4.976 1.00 0.00 C ATOM 1727 OH TYR B 5 11.429 1.032 -4.434 1.00 0.00 O ATOM 0 H TYR B 5 15.751 3.738 -4.006 1.00 0.00 H new ATOM 0 HA TYR B 5 17.421 5.128 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.159 4.914 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.246 3.542 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.789 1.677 -5.650 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.985 4.851 -6.401 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.970 0.302 -4.652 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.161 3.475 -5.433 1.00 0.00 H new ATOM 0 HH TYR B 5 11.790 0.169 -4.141 1.00 0.00 H new ATOM 1737 N VAL B 6 15.451 7.041 -6.268 1.00 0.00 N ATOM 1738 CA VAL B 6 14.897 8.412 -6.030 1.00 0.00 C ATOM 1739 C VAL B 6 13.549 8.397 -5.296 1.00 0.00 C ATOM 1740 O VAL B 6 12.702 7.559 -5.527 1.00 0.00 O ATOM 1741 CB VAL B 6 14.695 9.107 -7.384 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.643 10.622 -7.184 1.00 0.00 C ATOM 1743 CG2 VAL B 6 15.846 8.760 -8.324 1.00 0.00 C ATOM 0 H VAL B 6 15.520 6.777 -7.251 1.00 0.00 H new ATOM 0 HA VAL B 6 15.613 8.941 -5.401 1.00 0.00 H new ATOM 0 HB VAL B 6 13.757 8.765 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.500 11.111 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.814 10.873 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.578 10.963 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.695 9.257 -9.282 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.787 9.094 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL B 6 15.879 7.681 -8.476 1.00 0.00 H new ATOM 1753 N CYS B 7 13.342 9.383 -4.453 1.00 0.00 N ATOM 1754 CA CYS B 7 12.044 9.522 -3.727 1.00 0.00 C ATOM 1755 C CYS B 7 11.230 10.609 -4.427 1.00 0.00 C ATOM 1756 O CYS B 7 11.389 11.781 -4.157 1.00 0.00 O ATOM 1757 CB CYS B 7 12.285 9.951 -2.279 1.00 0.00 C ATOM 1758 SG CYS B 7 13.491 8.866 -1.486 1.00 0.00 S ATOM 0 H CYS B 7 14.029 10.105 -4.237 1.00 0.00 H new ATOM 0 HA CYS B 7 11.519 8.567 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.642 10.980 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.346 9.926 -1.726 1.00 0.00 H new ATOM 1763 N GLU B 8 10.377 10.240 -5.345 1.00 0.00 N ATOM 1764 CA GLU B 8 9.582 11.273 -6.072 1.00 0.00 C ATOM 1765 C GLU B 8 8.326 11.646 -5.285 1.00 0.00 C ATOM 1766 O GLU B 8 7.250 11.782 -5.840 1.00 0.00 O ATOM 1767 CB GLU B 8 9.182 10.738 -7.444 1.00 0.00 C ATOM 1768 CG GLU B 8 8.627 9.324 -7.289 1.00 0.00 C ATOM 1769 CD GLU B 8 7.948 8.897 -8.590 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.286 9.453 -9.622 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.099 8.022 -8.534 1.00 0.00 O ATOM 0 H GLU B 8 10.197 9.275 -5.622 1.00 0.00 H new ATOM 0 HA GLU B 8 10.198 12.165 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.433 11.388 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.044 10.732 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.431 8.631 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU B 8 7.913 9.290 -6.466 1.00 0.00 H new ATOM 1778 N GLY B 9 8.452 11.848 -4.006 1.00 0.00 N ATOM 1779 CA GLY B 9 7.262 12.254 -3.211 1.00 0.00 C ATOM 1780 C GLY B 9 6.885 13.682 -3.658 1.00 0.00 C ATOM 1781 O GLY B 9 6.854 13.933 -4.847 1.00 0.00 O ATOM 0 H GLY B 9 9.320 11.751 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.433 11.566 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.485 12.230 -2.144 1.00 0.00 H new ATOM 1785 N PRO B 10 6.625 14.599 -2.740 1.00 0.00 N ATOM 1786 CA PRO B 10 6.287 15.983 -3.135 1.00 0.00 C ATOM 1787 C PRO B 10 7.485 16.621 -3.861 1.00 0.00 C ATOM 1788 O PRO B 10 7.584 17.827 -3.979 1.00 0.00 O ATOM 1789 CB PRO B 10 5.969 16.715 -1.808 1.00 0.00 C ATOM 1790 CG PRO B 10 6.166 15.692 -0.651 1.00 0.00 C ATOM 1791 CD PRO B 10 6.630 14.358 -1.282 1.00 0.00 C ATOM 0 HA PRO B 10 5.443 16.035 -3.822 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.627 17.574 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.947 17.094 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.906 16.057 0.061 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.236 15.552 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.624 14.081 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.959 13.541 -1.015 1.00 0.00 H new ATOM 1799 N SER B 11 8.389 15.813 -4.343 1.00 0.00 N ATOM 1800 CA SER B 11 9.582 16.343 -5.058 1.00 0.00 C ATOM 1801 C SER B 11 9.227 16.612 -6.524 1.00 0.00 C ATOM 1802 O SER B 11 9.841 17.431 -7.179 1.00 0.00 O ATOM 1803 CB SER B 11 10.707 15.302 -4.985 1.00 0.00 C ATOM 1804 OG SER B 11 11.901 15.867 -5.512 1.00 0.00 O ATOM 0 H SER B 11 8.350 14.796 -4.270 1.00 0.00 H new ATOM 0 HA SER B 11 9.907 17.274 -4.593 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.863 14.989 -3.953 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.432 14.411 -5.550 1.00 0.00 H new ATOM 0 HG SER B 11 12.623 15.206 -5.466 1.00 0.00 H new