USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -5.23! C(o=-5.8!,f=-6!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.532 X(o=-5.8,f=-6) USER MOD Set 2.1: A 28 SER OG : rot 68:sc= 1.12 USER MOD Set 2.2: A 62 GLN : amide:sc= 1.03 K(o=2.1,f=-2.6!) USER MOD Set 3.1: A 8 GLN : amide:sc= -1.41! C(o=-1.9!,f=-9.3!) USER MOD Set 3.2: A 73 SER OG : rot -92:sc= -0.47 USER MOD Set 4.1: A 1 SER OG : rot -68:sc= 0.877 USER MOD Set 4.2: A 5 THR OG1 : rot 111:sc= 0.458 USER MOD Single : A 1 SER N :NH3+ 171:sc=-0.00213 (180deg=-0.0803) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 0.313 (180deg=0.182) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.61 (180deg=-2.99!) USER MOD Single : A 23 ASN : amide:sc= -1.85! K(o=-1.8!,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.17 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 59:sc= 0.706 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.108 USER MOD Single : A 42 SER OG : rot -60:sc= 1.02 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 52 MET CE :methyl 140:sc= -9.23! (180deg=-19.5!) USER MOD Single : A 60 ASN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 61 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-3.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.692 5.444 -11.042 1.00 0.00 N ATOM 2 CA SER A 1 -18.097 4.069 -11.448 1.00 0.00 C ATOM 3 C SER A 1 -18.541 4.059 -12.914 1.00 0.00 C ATOM 4 O SER A 1 -19.468 3.369 -13.287 1.00 0.00 O ATOM 5 CB SER A 1 -19.268 3.714 -10.532 1.00 0.00 C ATOM 6 OG SER A 1 -20.012 2.650 -11.111 1.00 0.00 O ATOM 0 H1 SER A 1 -17.540 5.472 -10.014 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.811 5.705 -11.530 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.442 6.117 -11.299 1.00 0.00 H new ATOM 0 HA SER A 1 -17.278 3.355 -11.359 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.900 3.422 -9.548 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.908 4.584 -10.387 1.00 0.00 H new ATOM 0 HG SER A 1 -20.457 2.967 -11.925 1.00 0.00 H new ATOM 14 N SER A 2 -17.885 4.820 -13.746 1.00 0.00 N ATOM 15 CA SER A 2 -18.270 4.853 -15.187 1.00 0.00 C ATOM 16 C SER A 2 -17.326 3.971 -16.007 1.00 0.00 C ATOM 17 O SER A 2 -16.545 3.212 -15.468 1.00 0.00 O ATOM 18 CB SER A 2 -18.129 6.318 -15.600 1.00 0.00 C ATOM 19 OG SER A 2 -19.209 6.671 -16.454 1.00 0.00 O ATOM 0 H SER A 2 -17.100 5.420 -13.492 1.00 0.00 H new ATOM 0 HA SER A 2 -19.280 4.477 -15.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.124 6.958 -14.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.179 6.474 -16.112 1.00 0.00 H new ATOM 0 HG SER A 2 -19.123 7.610 -16.719 1.00 0.00 H new ATOM 25 N ASN A 3 -17.391 4.064 -17.307 1.00 0.00 N ATOM 26 CA ASN A 3 -16.498 3.228 -18.160 1.00 0.00 C ATOM 27 C ASN A 3 -16.711 1.744 -17.856 1.00 0.00 C ATOM 28 O ASN A 3 -17.815 1.302 -17.612 1.00 0.00 O ATOM 29 CB ASN A 3 -15.079 3.656 -17.784 1.00 0.00 C ATOM 30 CG ASN A 3 -14.934 5.167 -17.971 1.00 0.00 C ATOM 31 OD1 ASN A 3 -15.338 5.708 -18.980 1.00 0.00 O ATOM 32 ND2 ASN A 3 -14.368 5.876 -17.032 1.00 0.00 N ATOM 0 H ASN A 3 -18.023 4.682 -17.816 1.00 0.00 H new ATOM 0 HA ASN A 3 -16.697 3.364 -19.223 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -14.869 3.385 -16.749 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.353 3.131 -18.405 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.265 6.884 -17.146 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.029 5.422 -16.184 1.00 0.00 H new ATOM 39 N LEU A 4 -15.659 0.969 -17.868 1.00 0.00 N ATOM 40 CA LEU A 4 -15.801 -0.486 -17.580 1.00 0.00 C ATOM 41 C LEU A 4 -16.181 -0.703 -16.110 1.00 0.00 C ATOM 42 O LEU A 4 -16.463 -1.807 -15.690 1.00 0.00 O ATOM 43 CB LEU A 4 -14.428 -1.080 -17.883 1.00 0.00 C ATOM 44 CG LEU A 4 -14.499 -1.903 -19.171 1.00 0.00 C ATOM 45 CD1 LEU A 4 -15.069 -1.039 -20.297 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.094 -2.373 -19.551 1.00 0.00 C ATOM 0 H LEU A 4 -14.708 1.282 -18.065 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.585 -0.954 -18.175 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.691 -0.284 -17.988 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.102 -1.709 -17.055 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.143 -2.768 -19.016 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.120 -1.625 -21.215 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.069 -0.702 -20.026 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.425 -0.174 -20.454 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.142 -2.960 -20.468 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.451 -1.507 -19.707 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.686 -2.988 -18.748 1.00 0.00 H new ATOM 58 N THR A 5 -16.194 0.349 -15.332 1.00 0.00 N ATOM 59 CA THR A 5 -16.566 0.229 -13.887 1.00 0.00 C ATOM 60 C THR A 5 -16.025 -1.072 -13.282 1.00 0.00 C ATOM 61 O THR A 5 -14.874 -1.409 -13.464 1.00 0.00 O ATOM 62 CB THR A 5 -18.098 0.245 -13.875 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.559 0.196 -12.532 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.638 -0.960 -14.646 1.00 0.00 C ATOM 0 H THR A 5 -15.961 1.294 -15.637 1.00 0.00 H new ATOM 0 HA THR A 5 -16.142 1.035 -13.288 1.00 0.00 H new ATOM 0 HB THR A 5 -18.452 1.160 -14.351 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.971 1.053 -12.296 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.728 -0.942 -14.633 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.287 -0.919 -15.677 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.285 -1.879 -14.178 1.00 0.00 H new ATOM 72 N GLU A 6 -16.844 -1.799 -12.558 1.00 0.00 N ATOM 73 CA GLU A 6 -16.377 -3.075 -11.935 1.00 0.00 C ATOM 74 C GLU A 6 -15.404 -3.800 -12.865 1.00 0.00 C ATOM 75 O GLU A 6 -14.505 -4.491 -12.426 1.00 0.00 O ATOM 76 CB GLU A 6 -17.644 -3.905 -11.734 1.00 0.00 C ATOM 77 CG GLU A 6 -18.130 -4.433 -13.084 1.00 0.00 C ATOM 78 CD GLU A 6 -19.338 -5.347 -12.870 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.695 -5.565 -11.724 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.885 -5.814 -13.856 1.00 0.00 O ATOM 0 H GLU A 6 -17.818 -1.561 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.847 -2.903 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.443 -4.736 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.420 -3.296 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.400 -3.602 -13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.330 -4.981 -13.582 1.00 0.00 H new ATOM 87 N GLU A 7 -15.564 -3.634 -14.147 1.00 0.00 N ATOM 88 CA GLU A 7 -14.635 -4.299 -15.100 1.00 0.00 C ATOM 89 C GLU A 7 -13.293 -3.568 -15.076 1.00 0.00 C ATOM 90 O GLU A 7 -12.242 -4.174 -14.995 1.00 0.00 O ATOM 91 CB GLU A 7 -15.302 -4.172 -16.471 1.00 0.00 C ATOM 92 CG GLU A 7 -14.549 -5.035 -17.486 1.00 0.00 C ATOM 93 CD GLU A 7 -15.421 -6.227 -17.888 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.220 -6.653 -17.071 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.273 -6.693 -19.006 1.00 0.00 O ATOM 0 H GLU A 7 -16.296 -3.068 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.446 -5.343 -14.852 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.344 -4.487 -16.411 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.302 -3.130 -16.792 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.295 -4.443 -18.366 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.611 -5.386 -17.056 1.00 0.00 H new ATOM 102 N GLN A 8 -13.323 -2.263 -15.123 1.00 0.00 N ATOM 103 CA GLN A 8 -12.050 -1.493 -15.080 1.00 0.00 C ATOM 104 C GLN A 8 -11.466 -1.573 -13.668 1.00 0.00 C ATOM 105 O GLN A 8 -10.297 -1.839 -13.480 1.00 0.00 O ATOM 106 CB GLN A 8 -12.429 -0.049 -15.458 1.00 0.00 C ATOM 107 CG GLN A 8 -12.855 0.741 -14.216 1.00 0.00 C ATOM 108 CD GLN A 8 -13.074 2.207 -14.595 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.607 2.657 -15.623 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.770 2.977 -13.803 1.00 0.00 N ATOM 0 H GLN A 8 -14.171 -1.700 -15.189 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.293 -1.880 -15.762 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.581 0.442 -15.934 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.241 -0.059 -16.185 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.771 0.321 -13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.090 0.664 -13.443 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.162 2.600 -12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.922 3.956 -14.047 1.00 0.00 H new ATOM 119 N ILE A 9 -12.286 -1.361 -12.673 1.00 0.00 N ATOM 120 CA ILE A 9 -11.797 -1.440 -11.272 1.00 0.00 C ATOM 121 C ILE A 9 -11.117 -2.788 -11.039 1.00 0.00 C ATOM 122 O ILE A 9 -9.934 -2.858 -10.783 1.00 0.00 O ATOM 123 CB ILE A 9 -13.051 -1.324 -10.408 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.702 0.041 -10.637 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.667 -1.470 -8.936 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.209 -0.068 -10.402 1.00 0.00 C ATOM 0 H ILE A 9 -13.276 -1.136 -12.774 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.069 -0.662 -11.040 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.756 -2.110 -10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.270 0.780 -9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.505 0.384 -11.653 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.560 -1.388 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.203 -2.443 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.963 -0.683 -8.664 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.674 0.904 -10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.634 -0.794 -11.095 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.395 -0.392 -9.378 1.00 0.00 H new ATOM 138 N ALA A 10 -11.857 -3.861 -11.134 1.00 0.00 N ATOM 139 CA ALA A 10 -11.244 -5.204 -10.923 1.00 0.00 C ATOM 140 C ALA A 10 -9.892 -5.275 -11.635 1.00 0.00 C ATOM 141 O ALA A 10 -8.895 -5.673 -11.062 1.00 0.00 O ATOM 142 CB ALA A 10 -12.232 -6.193 -11.544 1.00 0.00 C ATOM 0 H ALA A 10 -12.854 -3.866 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.064 -5.420 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.851 -7.208 -11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.196 -6.108 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.354 -5.969 -12.604 1.00 0.00 H new ATOM 148 N GLU A 11 -9.849 -4.877 -12.877 1.00 0.00 N ATOM 149 CA GLU A 11 -8.559 -4.910 -13.623 1.00 0.00 C ATOM 150 C GLU A 11 -7.551 -3.977 -12.949 1.00 0.00 C ATOM 151 O GLU A 11 -6.386 -4.296 -12.810 1.00 0.00 O ATOM 152 CB GLU A 11 -8.899 -4.410 -15.028 1.00 0.00 C ATOM 153 CG GLU A 11 -9.515 -5.549 -15.841 1.00 0.00 C ATOM 154 CD GLU A 11 -9.716 -5.096 -17.288 1.00 0.00 C ATOM 155 OE1 GLU A 11 -8.920 -4.296 -17.753 1.00 0.00 O ATOM 156 OE2 GLU A 11 -10.661 -5.555 -17.907 1.00 0.00 O ATOM 0 H GLU A 11 -10.649 -4.531 -13.407 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.114 -5.905 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.595 -3.574 -14.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.000 -4.042 -15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.866 -6.424 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.470 -5.845 -15.406 1.00 0.00 H new ATOM 163 N PHE A 12 -7.998 -2.829 -12.519 1.00 0.00 N ATOM 164 CA PHE A 12 -7.075 -1.876 -11.845 1.00 0.00 C ATOM 165 C PHE A 12 -6.564 -2.493 -10.541 1.00 0.00 C ATOM 166 O PHE A 12 -5.377 -2.524 -10.281 1.00 0.00 O ATOM 167 CB PHE A 12 -7.923 -0.634 -11.567 1.00 0.00 C ATOM 168 CG PHE A 12 -8.199 0.085 -12.867 1.00 0.00 C ATOM 169 CD1 PHE A 12 -7.167 0.268 -13.795 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.483 0.572 -13.146 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.417 0.934 -15.000 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.732 1.239 -14.351 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.699 1.421 -15.278 1.00 0.00 C ATOM 0 H PHE A 12 -8.963 -2.511 -12.606 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.200 -1.635 -12.449 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.861 -0.919 -11.090 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.402 0.028 -10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.177 -0.105 -13.581 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.280 0.433 -12.431 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.620 1.072 -15.716 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.722 1.614 -14.566 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.891 1.937 -16.207 1.00 0.00 H new ATOM 183 N LYS A 13 -7.451 -2.999 -9.726 1.00 0.00 N ATOM 184 CA LYS A 13 -7.015 -3.630 -8.449 1.00 0.00 C ATOM 185 C LYS A 13 -5.795 -4.509 -8.713 1.00 0.00 C ATOM 186 O LYS A 13 -4.765 -4.363 -8.087 1.00 0.00 O ATOM 187 CB LYS A 13 -8.204 -4.477 -7.996 1.00 0.00 C ATOM 188 CG LYS A 13 -9.131 -3.630 -7.121 1.00 0.00 C ATOM 189 CD LYS A 13 -9.800 -4.522 -6.073 1.00 0.00 C ATOM 190 CE LYS A 13 -9.754 -3.830 -4.709 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.087 -3.178 -4.564 1.00 0.00 N ATOM 0 H LYS A 13 -8.458 -3.002 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.734 -2.900 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.748 -4.853 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.854 -5.346 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.564 -2.839 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.888 -3.145 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.833 -4.722 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.292 -5.485 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.576 -4.547 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.949 -3.097 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.240 -2.919 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.121 -2.322 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.831 -3.838 -4.868 1.00 0.00 H new ATOM 205 N GLU A 14 -5.896 -5.410 -9.652 1.00 0.00 N ATOM 206 CA GLU A 14 -4.728 -6.279 -9.965 1.00 0.00 C ATOM 207 C GLU A 14 -3.506 -5.396 -10.224 1.00 0.00 C ATOM 208 O GLU A 14 -2.426 -5.643 -9.721 1.00 0.00 O ATOM 209 CB GLU A 14 -5.123 -7.042 -11.229 1.00 0.00 C ATOM 210 CG GLU A 14 -4.624 -8.485 -11.132 1.00 0.00 C ATOM 211 CD GLU A 14 -5.470 -9.250 -10.112 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.265 -8.617 -9.436 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.310 -10.456 -10.025 1.00 0.00 O ATOM 0 H GLU A 14 -6.731 -5.581 -10.212 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.476 -6.962 -9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.206 -7.028 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.697 -6.557 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.685 -8.969 -12.107 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.575 -8.499 -10.835 1.00 0.00 H new ATOM 220 N ALA A 15 -3.676 -4.356 -10.997 1.00 0.00 N ATOM 221 CA ALA A 15 -2.532 -3.444 -11.279 1.00 0.00 C ATOM 222 C ALA A 15 -2.092 -2.757 -9.986 1.00 0.00 C ATOM 223 O ALA A 15 -0.923 -2.723 -9.657 1.00 0.00 O ATOM 224 CB ALA A 15 -3.074 -2.418 -12.275 1.00 0.00 C ATOM 0 H ALA A 15 -4.556 -4.100 -11.444 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.665 -3.972 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.287 -1.709 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.411 -2.929 -13.177 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.912 -1.883 -11.827 1.00 0.00 H new ATOM 230 N PHE A 16 -3.020 -2.214 -9.243 1.00 0.00 N ATOM 231 CA PHE A 16 -2.643 -1.540 -7.968 1.00 0.00 C ATOM 232 C PHE A 16 -1.699 -2.440 -7.173 1.00 0.00 C ATOM 233 O PHE A 16 -0.568 -2.087 -6.903 1.00 0.00 O ATOM 234 CB PHE A 16 -3.954 -1.343 -7.204 1.00 0.00 C ATOM 235 CG PHE A 16 -3.636 -0.935 -5.785 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.225 0.375 -5.508 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.742 -1.869 -4.747 1.00 0.00 C ATOM 238 CE1 PHE A 16 -2.921 0.750 -4.194 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.439 -1.492 -3.432 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.029 -0.183 -3.156 1.00 0.00 C ATOM 0 H PHE A 16 -4.016 -2.208 -9.463 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.132 -0.592 -8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.562 -0.579 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.536 -2.265 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.143 1.096 -6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.057 -2.880 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.603 1.760 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.522 -2.212 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.796 0.108 -2.142 1.00 0.00 H new ATOM 250 N ALA A 17 -2.153 -3.607 -6.803 1.00 0.00 N ATOM 251 CA ALA A 17 -1.277 -4.532 -6.034 1.00 0.00 C ATOM 252 C ALA A 17 0.117 -4.553 -6.660 1.00 0.00 C ATOM 253 O ALA A 17 1.116 -4.401 -5.983 1.00 0.00 O ATOM 254 CB ALA A 17 -1.942 -5.903 -6.152 1.00 0.00 C ATOM 0 H ALA A 17 -3.090 -3.958 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.161 -4.232 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.352 -6.641 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.946 -5.858 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.003 -6.189 -7.202 1.00 0.00 H new ATOM 260 N LEU A 18 0.194 -4.727 -7.952 1.00 0.00 N ATOM 261 CA LEU A 18 1.527 -4.742 -8.618 1.00 0.00 C ATOM 262 C LEU A 18 2.364 -3.567 -8.111 1.00 0.00 C ATOM 263 O LEU A 18 3.553 -3.684 -7.893 1.00 0.00 O ATOM 264 CB LEU A 18 1.229 -4.589 -10.111 1.00 0.00 C ATOM 265 CG LEU A 18 1.684 -5.847 -10.853 1.00 0.00 C ATOM 266 CD1 LEU A 18 0.537 -6.376 -11.713 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.876 -5.503 -11.750 1.00 0.00 C ATOM 0 H LEU A 18 -0.605 -4.859 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 18 2.089 -5.653 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.162 -4.429 -10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.743 -3.714 -10.508 1.00 0.00 H new ATOM 0 HG LEU A 18 1.977 -6.609 -10.131 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.862 -7.272 -12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.314 -6.619 -11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.243 -5.615 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.203 -6.398 -12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.581 -4.741 -12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.695 -5.125 -11.138 1.00 0.00 H new ATOM 279 N PHE A 19 1.745 -2.434 -7.912 1.00 0.00 N ATOM 280 CA PHE A 19 2.497 -1.252 -7.407 1.00 0.00 C ATOM 281 C PHE A 19 2.879 -1.470 -5.941 1.00 0.00 C ATOM 282 O PHE A 19 4.010 -1.273 -5.545 1.00 0.00 O ATOM 283 CB PHE A 19 1.528 -0.073 -7.537 1.00 0.00 C ATOM 284 CG PHE A 19 1.127 0.111 -8.985 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.928 -0.407 -10.012 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.047 0.808 -9.299 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.554 -0.228 -11.349 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.420 0.986 -10.637 1.00 0.00 C ATOM 289 CZ PHE A 19 0.380 0.468 -11.661 1.00 0.00 C ATOM 0 H PHE A 19 0.751 -2.277 -8.078 1.00 0.00 H new ATOM 0 HA PHE A 19 3.419 -1.079 -7.961 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.643 -0.250 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.997 0.837 -7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.834 -0.944 -9.772 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.665 1.208 -8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.171 -0.627 -12.140 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.325 1.523 -10.878 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.092 0.605 -12.693 1.00 0.00 H new ATOM 299 N ASP A 20 1.940 -1.885 -5.133 1.00 0.00 N ATOM 300 CA ASP A 20 2.245 -2.125 -3.694 1.00 0.00 C ATOM 301 C ASP A 20 3.044 -3.424 -3.539 1.00 0.00 C ATOM 302 O ASP A 20 2.798 -4.397 -4.224 1.00 0.00 O ATOM 303 CB ASP A 20 0.881 -2.247 -3.013 1.00 0.00 C ATOM 304 CG ASP A 20 1.065 -2.757 -1.583 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.199 -2.816 -1.138 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.069 -3.082 -0.959 1.00 0.00 O ATOM 0 H ASP A 20 0.975 -2.068 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 20 2.845 -1.326 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.380 -1.279 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.243 -2.930 -3.574 1.00 0.00 H new ATOM 311 N LYS A 21 3.998 -3.447 -2.649 1.00 0.00 N ATOM 312 CA LYS A 21 4.808 -4.686 -2.460 1.00 0.00 C ATOM 313 C LYS A 21 4.409 -5.394 -1.162 1.00 0.00 C ATOM 314 O LYS A 21 5.060 -6.323 -0.726 1.00 0.00 O ATOM 315 CB LYS A 21 6.257 -4.202 -2.383 1.00 0.00 C ATOM 316 CG LYS A 21 6.745 -3.830 -3.784 1.00 0.00 C ATOM 317 CD LYS A 21 7.620 -4.958 -4.337 1.00 0.00 C ATOM 318 CE LYS A 21 6.744 -5.962 -5.089 1.00 0.00 C ATOM 319 NZ LYS A 21 5.987 -5.146 -6.078 1.00 0.00 N ATOM 0 H LYS A 21 4.252 -2.665 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 21 4.657 -5.402 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.329 -3.340 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.890 -4.982 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.894 -3.659 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.312 -2.900 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.379 -4.550 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.146 -5.457 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.349 -6.721 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.070 -6.485 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.913 -5.668 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.034 -4.952 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.485 -4.248 -6.241 1.00 0.00 H new ATOM 333 N ASP A 22 3.348 -4.960 -0.540 1.00 0.00 N ATOM 334 CA ASP A 22 2.913 -5.610 0.732 1.00 0.00 C ATOM 335 C ASP A 22 1.442 -6.026 0.645 1.00 0.00 C ATOM 336 O ASP A 22 0.936 -6.733 1.494 1.00 0.00 O ATOM 337 CB ASP A 22 3.098 -4.535 1.802 1.00 0.00 C ATOM 338 CG ASP A 22 4.484 -3.906 1.664 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.442 -4.651 1.541 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.564 -2.688 1.682 1.00 0.00 O ATOM 0 H ASP A 22 2.764 -4.186 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 22 3.484 -6.513 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.329 -3.770 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.983 -4.972 2.794 1.00 0.00 H new ATOM 345 N ASN A 23 0.750 -5.593 -0.373 1.00 0.00 N ATOM 346 CA ASN A 23 -0.688 -5.963 -0.512 1.00 0.00 C ATOM 347 C ASN A 23 -1.498 -5.378 0.647 1.00 0.00 C ATOM 348 O ASN A 23 -2.565 -5.858 0.974 1.00 0.00 O ATOM 349 CB ASN A 23 -0.725 -7.489 -0.458 1.00 0.00 C ATOM 350 CG ASN A 23 0.449 -8.070 -1.251 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.429 -8.085 -2.465 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.478 -8.551 -0.610 1.00 0.00 N ATOM 0 H ASN A 23 1.118 -4.998 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.117 -5.578 -1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.677 -7.826 0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.667 -7.853 -0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.266 -8.940 -1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.495 -8.538 0.410 1.00 0.00 H new ATOM 359 N ASN A 24 -1.005 -4.342 1.270 1.00 0.00 N ATOM 360 CA ASN A 24 -1.757 -3.728 2.404 1.00 0.00 C ATOM 361 C ASN A 24 -2.802 -2.748 1.868 1.00 0.00 C ATOM 362 O ASN A 24 -3.301 -1.905 2.588 1.00 0.00 O ATOM 363 CB ASN A 24 -0.708 -2.981 3.230 1.00 0.00 C ATOM 364 CG ASN A 24 0.551 -3.837 3.371 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.630 -3.318 3.581 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.459 -5.134 3.264 1.00 0.00 N ATOM 0 H ASN A 24 -0.117 -3.895 1.044 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.284 -4.475 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.462 -2.034 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.110 -2.745 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.293 -5.714 3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.447 -5.568 3.088 1.00 0.00 H new ATOM 373 N GLY A 25 -3.129 -2.840 0.609 1.00 0.00 N ATOM 374 CA GLY A 25 -4.130 -1.900 0.032 1.00 0.00 C ATOM 375 C GLY A 25 -3.529 -0.494 -0.010 1.00 0.00 C ATOM 376 O GLY A 25 -4.204 0.474 -0.297 1.00 0.00 O ATOM 0 H GLY A 25 -2.747 -3.524 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.411 -2.219 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.039 -1.903 0.633 1.00 0.00 H new ATOM 380 N SER A 26 -2.260 -0.377 0.274 1.00 0.00 N ATOM 381 CA SER A 26 -1.605 0.960 0.251 1.00 0.00 C ATOM 382 C SER A 26 -0.257 0.868 -0.469 1.00 0.00 C ATOM 383 O SER A 26 0.389 -0.162 -0.464 1.00 0.00 O ATOM 384 CB SER A 26 -1.407 1.325 1.721 1.00 0.00 C ATOM 385 OG SER A 26 -0.101 1.860 1.900 1.00 0.00 O ATOM 0 H SER A 26 -1.647 -1.154 0.522 1.00 0.00 H new ATOM 0 HA SER A 26 -2.198 1.707 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.157 2.053 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.541 0.443 2.348 1.00 0.00 H new ATOM 0 HG SER A 26 0.029 2.097 2.842 1.00 0.00 H new ATOM 391 N ILE A 27 0.170 1.931 -1.092 1.00 0.00 N ATOM 392 CA ILE A 27 1.472 1.893 -1.816 1.00 0.00 C ATOM 393 C ILE A 27 2.404 2.994 -1.302 1.00 0.00 C ATOM 394 O ILE A 27 2.028 4.145 -1.200 1.00 0.00 O ATOM 395 CB ILE A 27 1.113 2.135 -3.280 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.455 0.882 -3.856 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.381 2.455 -4.074 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.315 1.246 -5.125 1.00 0.00 C ATOM 0 H ILE A 27 -0.324 2.822 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 27 1.996 0.948 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 27 0.422 2.975 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.213 0.131 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.220 0.443 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.122 2.627 -5.119 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.851 3.349 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.074 1.617 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.784 0.352 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.083 1.982 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.372 1.665 -5.860 1.00 0.00 H new ATOM 410 N SER A 28 3.621 2.647 -0.984 1.00 0.00 N ATOM 411 CA SER A 28 4.582 3.670 -0.483 1.00 0.00 C ATOM 412 C SER A 28 5.587 4.030 -1.581 1.00 0.00 C ATOM 413 O SER A 28 5.438 3.644 -2.722 1.00 0.00 O ATOM 414 CB SER A 28 5.291 3.003 0.695 1.00 0.00 C ATOM 415 OG SER A 28 5.729 4.004 1.606 1.00 0.00 O ATOM 0 H SER A 28 3.992 1.699 -1.049 1.00 0.00 H new ATOM 0 HA SER A 28 4.087 4.595 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.616 2.309 1.196 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.141 2.420 0.340 1.00 0.00 H new ATOM 0 HG SER A 28 4.951 4.424 2.029 1.00 0.00 H new ATOM 421 N SER A 29 6.609 4.768 -1.245 1.00 0.00 N ATOM 422 CA SER A 29 7.621 5.152 -2.271 1.00 0.00 C ATOM 423 C SER A 29 8.298 3.903 -2.844 1.00 0.00 C ATOM 424 O SER A 29 8.123 3.566 -3.998 1.00 0.00 O ATOM 425 CB SER A 29 8.636 6.014 -1.522 1.00 0.00 C ATOM 426 OG SER A 29 9.031 5.346 -0.332 1.00 0.00 O ATOM 0 H SER A 29 6.788 5.122 -0.305 1.00 0.00 H new ATOM 0 HA SER A 29 7.174 5.683 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.505 6.203 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.200 6.983 -1.281 1.00 0.00 H new ATOM 0 HG SER A 29 9.684 5.895 0.150 1.00 0.00 H new ATOM 432 N SER A 30 9.070 3.217 -2.047 1.00 0.00 N ATOM 433 CA SER A 30 9.759 1.992 -2.547 1.00 0.00 C ATOM 434 C SER A 30 8.750 1.041 -3.197 1.00 0.00 C ATOM 435 O SER A 30 9.110 0.171 -3.964 1.00 0.00 O ATOM 436 CB SER A 30 10.376 1.352 -1.304 1.00 0.00 C ATOM 437 OG SER A 30 9.488 0.365 -0.794 1.00 0.00 O ATOM 0 H SER A 30 9.254 3.451 -1.071 1.00 0.00 H new ATOM 0 HA SER A 30 10.509 2.221 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.336 0.900 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.567 2.112 -0.546 1.00 0.00 H new ATOM 0 HG SER A 30 9.881 -0.049 0.002 1.00 0.00 H new ATOM 443 N GLU A 31 7.491 1.197 -2.895 1.00 0.00 N ATOM 444 CA GLU A 31 6.463 0.298 -3.496 1.00 0.00 C ATOM 445 C GLU A 31 6.183 0.704 -4.945 1.00 0.00 C ATOM 446 O GLU A 31 6.719 0.132 -5.875 1.00 0.00 O ATOM 447 CB GLU A 31 5.216 0.490 -2.633 1.00 0.00 C ATOM 448 CG GLU A 31 5.504 0.010 -1.208 1.00 0.00 C ATOM 449 CD GLU A 31 4.223 -0.554 -0.590 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.335 0.229 -0.295 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.151 -1.760 -0.420 1.00 0.00 O ATOM 0 H GLU A 31 7.129 1.907 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 31 6.787 -0.742 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.926 1.541 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.380 -0.068 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.281 -0.754 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.879 0.836 -0.604 1.00 0.00 H new ATOM 458 N LEU A 32 5.350 1.688 -5.148 1.00 0.00 N ATOM 459 CA LEU A 32 5.039 2.126 -6.540 1.00 0.00 C ATOM 460 C LEU A 32 6.328 2.246 -7.356 1.00 0.00 C ATOM 461 O LEU A 32 6.353 1.972 -8.540 1.00 0.00 O ATOM 462 CB LEU A 32 4.372 3.494 -6.387 1.00 0.00 C ATOM 463 CG LEU A 32 2.942 3.430 -6.929 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.173 4.676 -6.490 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.980 3.368 -8.458 1.00 0.00 C ATOM 0 H LEU A 32 4.872 2.207 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 32 4.397 1.417 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.361 3.790 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.943 4.251 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 32 2.446 2.541 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.155 4.630 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.146 4.722 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.669 5.565 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.962 3.322 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.477 4.257 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.528 2.480 -8.773 1.00 0.00 H new ATOM 477 N ALA A 33 7.401 2.654 -6.733 1.00 0.00 N ATOM 478 CA ALA A 33 8.688 2.791 -7.475 1.00 0.00 C ATOM 479 C ALA A 33 9.174 1.416 -7.944 1.00 0.00 C ATOM 480 O ALA A 33 9.609 1.251 -9.067 1.00 0.00 O ATOM 481 CB ALA A 33 9.665 3.391 -6.465 1.00 0.00 C ATOM 0 H ALA A 33 7.442 2.898 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 33 8.590 3.414 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.639 3.523 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.291 4.357 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.763 2.721 -5.611 1.00 0.00 H new ATOM 487 N THR A 34 9.104 0.430 -7.093 1.00 0.00 N ATOM 488 CA THR A 34 9.564 -0.932 -7.491 1.00 0.00 C ATOM 489 C THR A 34 8.954 -1.321 -8.841 1.00 0.00 C ATOM 490 O THR A 34 9.475 -2.157 -9.551 1.00 0.00 O ATOM 491 CB THR A 34 9.057 -1.860 -6.385 1.00 0.00 C ATOM 492 OG1 THR A 34 9.836 -1.664 -5.214 1.00 0.00 O ATOM 493 CG2 THR A 34 9.176 -3.315 -6.843 1.00 0.00 C ATOM 0 H THR A 34 8.749 0.507 -6.140 1.00 0.00 H new ATOM 0 HA THR A 34 10.647 -0.987 -7.604 1.00 0.00 H new ATOM 0 HB THR A 34 8.012 -1.635 -6.170 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.777 -0.726 -4.935 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.815 -3.975 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.579 -3.463 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.220 -3.544 -7.058 1.00 0.00 H new ATOM 501 N VAL A 35 7.853 -0.719 -9.201 1.00 0.00 N ATOM 502 CA VAL A 35 7.212 -1.055 -10.504 1.00 0.00 C ATOM 503 C VAL A 35 8.200 -0.825 -11.651 1.00 0.00 C ATOM 504 O VAL A 35 8.476 -1.713 -12.433 1.00 0.00 O ATOM 505 CB VAL A 35 6.025 -0.098 -10.619 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.289 -0.353 -11.935 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.068 -0.332 -9.447 1.00 0.00 C ATOM 0 H VAL A 35 7.370 -0.010 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 35 6.901 -2.098 -10.556 1.00 0.00 H new ATOM 0 HB VAL A 35 6.384 0.931 -10.597 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.443 0.329 -12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.970 -0.189 -12.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.929 -1.382 -11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.221 0.349 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.709 -1.361 -9.470 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.591 -0.151 -8.508 1.00 0.00 H new ATOM 517 N MET A 36 8.733 0.360 -11.756 1.00 0.00 N ATOM 518 CA MET A 36 9.705 0.647 -12.852 1.00 0.00 C ATOM 519 C MET A 36 11.123 0.753 -12.285 1.00 0.00 C ATOM 520 O MET A 36 12.043 0.124 -12.769 1.00 0.00 O ATOM 521 CB MET A 36 9.259 1.988 -13.436 1.00 0.00 C ATOM 522 CG MET A 36 7.819 1.871 -13.942 1.00 0.00 C ATOM 523 SD MET A 36 7.267 3.478 -14.564 1.00 0.00 S ATOM 524 CE MET A 36 5.888 3.705 -13.414 1.00 0.00 C ATOM 0 H MET A 36 8.539 1.143 -11.132 1.00 0.00 H new ATOM 0 HA MET A 36 9.722 -0.140 -13.606 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.327 2.768 -12.677 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.920 2.279 -14.252 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.759 1.123 -14.733 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.165 1.536 -13.137 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.394 4.654 -13.621 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.174 2.890 -13.536 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.264 3.708 -12.391 1.00 0.00 H new ATOM 534 N ARG A 37 11.305 1.542 -11.262 1.00 0.00 N ATOM 535 CA ARG A 37 12.663 1.687 -10.663 1.00 0.00 C ATOM 536 C ARG A 37 13.312 0.312 -10.487 1.00 0.00 C ATOM 537 O ARG A 37 14.508 0.155 -10.636 1.00 0.00 O ATOM 538 CB ARG A 37 12.429 2.347 -9.304 1.00 0.00 C ATOM 539 CG ARG A 37 13.769 2.537 -8.591 1.00 0.00 C ATOM 540 CD ARG A 37 13.714 3.800 -7.729 1.00 0.00 C ATOM 541 NE ARG A 37 14.469 3.453 -6.493 1.00 0.00 N ATOM 542 CZ ARG A 37 15.685 3.896 -6.326 1.00 0.00 C ATOM 543 NH1 ARG A 37 16.509 3.939 -7.338 1.00 0.00 N ATOM 544 NH2 ARG A 37 16.079 4.296 -5.147 1.00 0.00 N ATOM 0 H ARG A 37 10.572 2.093 -10.815 1.00 0.00 H new ATOM 0 HA ARG A 37 13.331 2.276 -11.292 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.935 3.310 -9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.767 1.730 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.989 1.669 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.574 2.617 -9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.165 4.649 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.685 4.077 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 37 14.036 2.869 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.202 3.626 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.459 4.285 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.436 4.262 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.030 4.642 -5.017 1.00 0.00 H new ATOM 558 N SER A 38 12.534 -0.686 -10.170 1.00 0.00 N ATOM 559 CA SER A 38 13.106 -2.050 -9.983 1.00 0.00 C ATOM 560 C SER A 38 13.985 -2.424 -11.180 1.00 0.00 C ATOM 561 O SER A 38 15.187 -2.245 -11.159 1.00 0.00 O ATOM 562 CB SER A 38 11.896 -2.978 -9.895 1.00 0.00 C ATOM 563 OG SER A 38 12.321 -4.322 -10.086 1.00 0.00 O ATOM 0 H SER A 38 11.526 -0.616 -10.032 1.00 0.00 H new ATOM 0 HA SER A 38 13.735 -2.116 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.411 -2.872 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.159 -2.706 -10.651 1.00 0.00 H new ATOM 0 HG SER A 38 11.547 -4.921 -10.029 1.00 0.00 H new ATOM 569 N LEU A 39 13.395 -2.942 -12.223 1.00 0.00 N ATOM 570 CA LEU A 39 14.199 -3.328 -13.418 1.00 0.00 C ATOM 571 C LEU A 39 13.860 -2.416 -14.601 1.00 0.00 C ATOM 572 O LEU A 39 14.632 -2.274 -15.528 1.00 0.00 O ATOM 573 CB LEU A 39 13.793 -4.771 -13.719 1.00 0.00 C ATOM 574 CG LEU A 39 14.971 -5.510 -14.356 1.00 0.00 C ATOM 575 CD1 LEU A 39 15.499 -6.565 -13.381 1.00 0.00 C ATOM 576 CD2 LEU A 39 14.507 -6.193 -15.643 1.00 0.00 C ATOM 0 H LEU A 39 12.393 -3.114 -12.299 1.00 0.00 H new ATOM 0 HA LEU A 39 15.271 -3.235 -13.243 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.488 -5.273 -12.801 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.935 -4.786 -14.390 1.00 0.00 H new ATOM 0 HG LEU A 39 15.764 -4.799 -14.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.338 -7.092 -13.835 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.829 -6.079 -12.463 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.706 -7.276 -13.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 15.346 -6.720 -16.098 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.714 -6.904 -15.412 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.130 -5.442 -16.338 1.00 0.00 H new ATOM 588 N GLY A 40 12.711 -1.797 -14.576 1.00 0.00 N ATOM 589 CA GLY A 40 12.326 -0.896 -15.698 1.00 0.00 C ATOM 590 C GLY A 40 13.142 0.395 -15.619 1.00 0.00 C ATOM 591 O GLY A 40 14.212 0.499 -16.187 1.00 0.00 O ATOM 0 H GLY A 40 12.023 -1.877 -13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.501 -1.392 -16.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.261 -0.669 -15.647 1.00 0.00 H new ATOM 595 N LEU A 41 12.647 1.378 -14.920 1.00 0.00 N ATOM 596 CA LEU A 41 13.396 2.663 -14.805 1.00 0.00 C ATOM 597 C LEU A 41 14.287 2.644 -13.560 1.00 0.00 C ATOM 598 O LEU A 41 14.694 1.600 -13.092 1.00 0.00 O ATOM 599 CB LEU A 41 12.318 3.739 -14.677 1.00 0.00 C ATOM 600 CG LEU A 41 12.782 5.015 -15.383 1.00 0.00 C ATOM 601 CD1 LEU A 41 12.637 4.844 -16.896 1.00 0.00 C ATOM 602 CD2 LEU A 41 11.923 6.194 -14.919 1.00 0.00 C ATOM 0 H LEU A 41 11.757 1.348 -14.423 1.00 0.00 H new ATOM 0 HA LEU A 41 14.048 2.840 -15.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.384 3.387 -15.116 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.118 3.945 -13.625 1.00 0.00 H new ATOM 0 HG LEU A 41 13.827 5.206 -15.138 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.968 5.753 -17.398 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.247 4.004 -17.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.592 4.653 -17.142 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.252 7.104 -15.421 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.878 6.002 -15.164 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.026 6.317 -13.841 1.00 0.00 H new ATOM 614 N SER A 42 14.592 3.792 -13.021 1.00 0.00 N ATOM 615 CA SER A 42 15.456 3.841 -11.806 1.00 0.00 C ATOM 616 C SER A 42 15.560 5.278 -11.290 1.00 0.00 C ATOM 617 O SER A 42 16.642 5.811 -11.147 1.00 0.00 O ATOM 618 CB SER A 42 16.822 3.338 -12.272 1.00 0.00 C ATOM 619 OG SER A 42 17.765 3.499 -11.220 1.00 0.00 O ATOM 0 H SER A 42 14.281 4.699 -13.369 1.00 0.00 H new ATOM 0 HA SER A 42 15.057 3.239 -10.990 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.757 2.289 -12.561 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.145 3.892 -13.154 1.00 0.00 H new ATOM 0 HG SER A 42 17.825 4.446 -10.976 1.00 0.00 H new ATOM 625 N PRO A 43 14.420 5.858 -11.030 1.00 0.00 N ATOM 626 CA PRO A 43 14.371 7.252 -10.526 1.00 0.00 C ATOM 627 C PRO A 43 14.791 7.303 -9.054 1.00 0.00 C ATOM 628 O PRO A 43 15.438 6.406 -8.551 1.00 0.00 O ATOM 629 CB PRO A 43 12.904 7.637 -10.686 1.00 0.00 C ATOM 630 CG PRO A 43 12.153 6.344 -10.663 1.00 0.00 C ATOM 631 CD PRO A 43 13.083 5.276 -11.180 1.00 0.00 C ATOM 0 HA PRO A 43 15.044 7.925 -11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.580 8.295 -9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.737 8.172 -11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.823 6.109 -9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.259 6.408 -11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.985 4.352 -10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.870 5.032 -12.221 1.00 0.00 H new ATOM 639 N SER A 44 14.425 8.345 -8.359 1.00 0.00 N ATOM 640 CA SER A 44 14.802 8.452 -6.920 1.00 0.00 C ATOM 641 C SER A 44 13.596 8.896 -6.088 1.00 0.00 C ATOM 642 O SER A 44 12.626 9.403 -6.614 1.00 0.00 O ATOM 643 CB SER A 44 15.903 9.510 -6.877 1.00 0.00 C ATOM 644 OG SER A 44 16.762 9.339 -7.997 1.00 0.00 O ATOM 0 H SER A 44 13.881 9.127 -8.725 1.00 0.00 H new ATOM 0 HA SER A 44 15.136 7.500 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.465 10.508 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.472 9.422 -5.951 1.00 0.00 H new ATOM 0 HG SER A 44 17.469 10.017 -7.974 1.00 0.00 H new ATOM 650 N GLU A 45 13.653 8.701 -4.795 1.00 0.00 N ATOM 651 CA GLU A 45 12.515 9.103 -3.912 1.00 0.00 C ATOM 652 C GLU A 45 11.863 10.392 -4.419 1.00 0.00 C ATOM 653 O GLU A 45 10.658 10.537 -4.393 1.00 0.00 O ATOM 654 CB GLU A 45 13.145 9.330 -2.538 1.00 0.00 C ATOM 655 CG GLU A 45 12.102 9.923 -1.589 1.00 0.00 C ATOM 656 CD GLU A 45 10.878 9.007 -1.540 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.038 7.823 -1.789 1.00 0.00 O ATOM 658 OE2 GLU A 45 9.801 9.505 -1.254 1.00 0.00 O ATOM 0 H GLU A 45 14.444 8.278 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 45 11.731 8.346 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.521 8.388 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.998 10.003 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.525 10.036 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.812 10.918 -1.926 1.00 0.00 H new ATOM 665 N ALA A 46 12.643 11.325 -4.889 1.00 0.00 N ATOM 666 CA ALA A 46 12.050 12.593 -5.403 1.00 0.00 C ATOM 667 C ALA A 46 11.041 12.279 -6.510 1.00 0.00 C ATOM 668 O ALA A 46 9.852 12.468 -6.352 1.00 0.00 O ATOM 669 CB ALA A 46 13.231 13.387 -5.959 1.00 0.00 C ATOM 0 H ALA A 46 13.660 11.266 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 46 11.519 13.150 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.875 14.337 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.951 13.574 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.711 12.817 -6.754 1.00 0.00 H new ATOM 675 N GLU A 47 11.507 11.788 -7.626 1.00 0.00 N ATOM 676 CA GLU A 47 10.572 11.449 -8.736 1.00 0.00 C ATOM 677 C GLU A 47 9.571 10.394 -8.260 1.00 0.00 C ATOM 678 O GLU A 47 8.390 10.468 -8.536 1.00 0.00 O ATOM 679 CB GLU A 47 11.463 10.885 -9.843 1.00 0.00 C ATOM 680 CG GLU A 47 12.573 11.886 -10.166 1.00 0.00 C ATOM 681 CD GLU A 47 12.204 12.668 -11.427 1.00 0.00 C ATOM 682 OE1 GLU A 47 12.160 12.061 -12.485 1.00 0.00 O ATOM 683 OE2 GLU A 47 11.972 13.860 -11.315 1.00 0.00 O ATOM 0 H GLU A 47 12.493 11.607 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 47 9.997 12.309 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.896 9.936 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.869 10.684 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.715 12.570 -9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.518 11.363 -10.313 1.00 0.00 H new ATOM 690 N VAL A 48 10.041 9.416 -7.534 1.00 0.00 N ATOM 691 CA VAL A 48 9.129 8.354 -7.020 1.00 0.00 C ATOM 692 C VAL A 48 7.939 8.997 -6.309 1.00 0.00 C ATOM 693 O VAL A 48 6.798 8.840 -6.704 1.00 0.00 O ATOM 694 CB VAL A 48 9.978 7.567 -6.022 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.170 6.394 -5.466 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.226 7.033 -6.723 1.00 0.00 C ATOM 0 H VAL A 48 11.021 9.306 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 48 8.731 7.721 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 48 10.270 8.225 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.780 5.836 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.280 6.771 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.873 5.737 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.831 6.472 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.931 6.379 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.808 7.867 -7.116 1.00 0.00 H new ATOM 706 N ASN A 49 8.205 9.723 -5.262 1.00 0.00 N ATOM 707 CA ASN A 49 7.109 10.389 -4.512 1.00 0.00 C ATOM 708 C ASN A 49 6.186 11.130 -5.488 1.00 0.00 C ATOM 709 O ASN A 49 4.980 11.125 -5.344 1.00 0.00 O ATOM 710 CB ASN A 49 7.838 11.346 -3.553 1.00 0.00 C ATOM 711 CG ASN A 49 7.841 12.780 -4.100 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.884 13.322 -4.412 1.00 0.00 O ATOM 713 ND2 ASN A 49 6.711 13.421 -4.227 1.00 0.00 N ATOM 0 H ASN A 49 9.142 9.884 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 49 6.467 9.697 -3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.353 11.327 -2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.864 11.007 -3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.704 14.375 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.835 12.968 -3.966 1.00 0.00 H new ATOM 720 N ASP A 50 6.748 11.759 -6.485 1.00 0.00 N ATOM 721 CA ASP A 50 5.905 12.489 -7.473 1.00 0.00 C ATOM 722 C ASP A 50 4.844 11.547 -8.042 1.00 0.00 C ATOM 723 O ASP A 50 3.674 11.872 -8.098 1.00 0.00 O ATOM 724 CB ASP A 50 6.873 12.935 -8.569 1.00 0.00 C ATOM 725 CG ASP A 50 6.334 14.198 -9.245 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.424 14.073 -10.048 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.840 15.267 -8.947 1.00 0.00 O ATOM 0 H ASP A 50 7.753 11.798 -6.657 1.00 0.00 H new ATOM 0 HA ASP A 50 5.380 13.336 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.857 13.130 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.996 12.141 -9.305 1.00 0.00 H new ATOM 732 N LEU A 51 5.243 10.376 -8.458 1.00 0.00 N ATOM 733 CA LEU A 51 4.255 9.408 -9.014 1.00 0.00 C ATOM 734 C LEU A 51 3.154 9.145 -7.985 1.00 0.00 C ATOM 735 O LEU A 51 1.983 9.306 -8.260 1.00 0.00 O ATOM 736 CB LEU A 51 5.055 8.133 -9.284 1.00 0.00 C ATOM 737 CG LEU A 51 5.162 7.906 -10.793 1.00 0.00 C ATOM 738 CD1 LEU A 51 6.284 6.906 -11.081 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.838 7.350 -11.319 1.00 0.00 C ATOM 0 H LEU A 51 6.209 10.048 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 51 3.770 9.778 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.050 8.216 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.569 7.280 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 51 5.383 8.852 -11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.360 6.744 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.228 7.301 -10.706 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.064 5.960 -10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.913 7.188 -12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.618 6.404 -10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.038 8.061 -11.114 1.00 0.00 H new ATOM 751 N MET A 52 3.525 8.747 -6.797 1.00 0.00 N ATOM 752 CA MET A 52 2.499 8.482 -5.749 1.00 0.00 C ATOM 753 C MET A 52 1.643 9.732 -5.529 1.00 0.00 C ATOM 754 O MET A 52 0.453 9.651 -5.297 1.00 0.00 O ATOM 755 CB MET A 52 3.295 8.149 -4.486 1.00 0.00 C ATOM 756 CG MET A 52 2.590 7.033 -3.716 1.00 0.00 C ATOM 757 SD MET A 52 3.808 5.802 -3.189 1.00 0.00 S ATOM 758 CE MET A 52 5.086 6.965 -2.652 1.00 0.00 C ATOM 0 H MET A 52 4.491 8.595 -6.508 1.00 0.00 H new ATOM 0 HA MET A 52 1.823 7.673 -6.026 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.306 7.839 -4.752 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.388 9.035 -3.858 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.074 7.445 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.833 6.565 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.548 6.600 -1.735 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.845 7.056 -3.429 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.636 7.941 -2.468 1.00 0.00 H new ATOM 768 N ASN A 53 2.242 10.890 -5.602 1.00 0.00 N ATOM 769 CA ASN A 53 1.467 12.147 -5.399 1.00 0.00 C ATOM 770 C ASN A 53 0.344 12.248 -6.435 1.00 0.00 C ATOM 771 O ASN A 53 -0.800 12.485 -6.101 1.00 0.00 O ATOM 772 CB ASN A 53 2.482 13.274 -5.596 1.00 0.00 C ATOM 773 CG ASN A 53 2.766 13.947 -4.252 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.900 14.246 -3.937 1.00 0.00 O ATOM 775 ND2 ASN A 53 1.776 14.201 -3.440 1.00 0.00 N ATOM 0 H ASN A 53 3.235 11.020 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 53 0.997 12.189 -4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.405 12.876 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.096 14.005 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.955 14.650 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.823 13.950 -3.704 1.00 0.00 H new ATOM 782 N GLU A 54 0.663 12.071 -7.689 1.00 0.00 N ATOM 783 CA GLU A 54 -0.388 12.156 -8.744 1.00 0.00 C ATOM 784 C GLU A 54 -1.654 11.429 -8.282 1.00 0.00 C ATOM 785 O GLU A 54 -2.755 11.776 -8.663 1.00 0.00 O ATOM 786 CB GLU A 54 0.217 11.461 -9.963 1.00 0.00 C ATOM 787 CG GLU A 54 0.980 12.484 -10.808 1.00 0.00 C ATOM 788 CD GLU A 54 0.386 12.528 -12.216 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.807 12.759 -12.328 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.134 12.332 -13.160 1.00 0.00 O ATOM 0 H GLU A 54 1.604 11.872 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.673 13.185 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.888 10.664 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.570 10.997 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.921 13.469 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.036 12.217 -10.855 1.00 0.00 H new ATOM 797 N ILE A 55 -1.504 10.425 -7.464 1.00 0.00 N ATOM 798 CA ILE A 55 -2.697 9.677 -6.974 1.00 0.00 C ATOM 799 C ILE A 55 -2.879 9.906 -5.472 1.00 0.00 C ATOM 800 O ILE A 55 -3.913 9.606 -4.909 1.00 0.00 O ATOM 801 CB ILE A 55 -2.389 8.207 -7.260 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.978 8.049 -8.726 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.635 7.361 -6.989 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.687 7.233 -8.809 1.00 0.00 C ATOM 0 H ILE A 55 -0.607 10.089 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.618 10.000 -7.460 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.576 7.875 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.771 7.553 -9.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.832 9.028 -9.181 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.415 6.313 -7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.931 7.473 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.448 7.693 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.394 7.120 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.104 7.747 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.850 6.249 -8.370 1.00 0.00 H new ATOM 816 N ASP A 56 -1.880 10.436 -4.820 1.00 0.00 N ATOM 817 CA ASP A 56 -1.995 10.685 -3.354 1.00 0.00 C ATOM 818 C ASP A 56 -3.093 11.716 -3.080 1.00 0.00 C ATOM 819 O ASP A 56 -2.829 12.889 -2.902 1.00 0.00 O ATOM 820 CB ASP A 56 -0.631 11.232 -2.935 1.00 0.00 C ATOM 821 CG ASP A 56 -0.368 10.880 -1.471 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.139 10.110 -0.920 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.598 11.386 -0.924 1.00 0.00 O ATOM 0 H ASP A 56 -0.990 10.707 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.258 9.783 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.151 10.812 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.604 12.313 -3.071 1.00 0.00 H new ATOM 828 N VAL A 57 -4.325 11.288 -3.048 1.00 0.00 N ATOM 829 CA VAL A 57 -5.442 12.239 -2.789 1.00 0.00 C ATOM 830 C VAL A 57 -5.258 12.922 -1.431 1.00 0.00 C ATOM 831 O VAL A 57 -5.633 14.062 -1.242 1.00 0.00 O ATOM 832 CB VAL A 57 -6.702 11.375 -2.790 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.952 10.839 -4.200 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.516 10.201 -1.827 1.00 0.00 C ATOM 0 H VAL A 57 -4.607 10.318 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.489 13.032 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.554 11.976 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.851 10.223 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.084 11.674 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.100 10.238 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.415 9.584 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.664 9.601 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.337 10.580 -0.821 1.00 0.00 H new ATOM 844 N ASP A 58 -4.686 12.232 -0.482 1.00 0.00 N ATOM 845 CA ASP A 58 -4.484 12.844 0.864 1.00 0.00 C ATOM 846 C ASP A 58 -3.112 13.522 0.942 1.00 0.00 C ATOM 847 O ASP A 58 -2.946 14.531 1.599 1.00 0.00 O ATOM 848 CB ASP A 58 -4.561 11.675 1.846 1.00 0.00 C ATOM 849 CG ASP A 58 -3.530 10.613 1.459 1.00 0.00 C ATOM 850 OD1 ASP A 58 -2.992 10.708 0.369 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.296 9.723 2.260 1.00 0.00 O ATOM 0 H ASP A 58 -4.350 11.274 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.227 13.611 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.373 12.026 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.562 11.245 1.837 1.00 0.00 H new ATOM 856 N GLY A 59 -2.128 12.978 0.281 1.00 0.00 N ATOM 857 CA GLY A 59 -0.771 13.595 0.321 1.00 0.00 C ATOM 858 C GLY A 59 0.033 12.988 1.472 1.00 0.00 C ATOM 859 O GLY A 59 0.582 13.691 2.298 1.00 0.00 O ATOM 0 H GLY A 59 -2.204 12.133 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.256 13.427 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.854 14.674 0.451 1.00 0.00 H new ATOM 863 N ASN A 60 0.110 11.687 1.534 1.00 0.00 N ATOM 864 CA ASN A 60 0.882 11.037 2.632 1.00 0.00 C ATOM 865 C ASN A 60 2.021 10.195 2.050 1.00 0.00 C ATOM 866 O ASN A 60 2.392 9.176 2.596 1.00 0.00 O ATOM 867 CB ASN A 60 -0.130 10.146 3.354 1.00 0.00 C ATOM 868 CG ASN A 60 -0.686 9.109 2.376 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.175 9.453 1.319 1.00 0.00 O ATOM 870 ND2 ASN A 60 -0.632 7.843 2.688 1.00 0.00 N ATOM 0 H ASN A 60 -0.328 11.046 0.872 1.00 0.00 H new ATOM 0 HA ASN A 60 1.337 11.764 3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.346 9.647 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.941 10.752 3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.000 7.143 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.221 7.554 3.576 1.00 0.00 H new ATOM 877 N HIS A 61 2.578 10.618 0.947 1.00 0.00 N ATOM 878 CA HIS A 61 3.696 9.848 0.324 1.00 0.00 C ATOM 879 C HIS A 61 3.244 8.420 -0.002 1.00 0.00 C ATOM 880 O HIS A 61 4.047 7.554 -0.287 1.00 0.00 O ATOM 881 CB HIS A 61 4.807 9.840 1.375 1.00 0.00 C ATOM 882 CG HIS A 61 5.227 11.256 1.665 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.344 12.200 2.168 1.00 0.00 N ATOM 884 CD2 HIS A 61 6.428 11.904 1.521 1.00 0.00 C ATOM 885 CE1 HIS A 61 5.022 13.355 2.304 1.00 0.00 C ATOM 886 NE2 HIS A 61 6.296 13.229 1.926 1.00 0.00 N ATOM 0 H HIS A 61 2.307 11.466 0.449 1.00 0.00 H new ATOM 0 HA HIS A 61 4.030 10.291 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.457 9.358 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.659 9.262 1.016 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.337 11.454 1.150 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.588 14.272 2.674 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.018 13.949 1.933 1.00 0.00 H new ATOM 894 N GLN A 62 1.962 8.175 0.027 1.00 0.00 N ATOM 895 CA GLN A 62 1.447 6.811 -0.290 1.00 0.00 C ATOM 896 C GLN A 62 0.010 6.914 -0.803 1.00 0.00 C ATOM 897 O GLN A 62 -0.697 7.857 -0.506 1.00 0.00 O ATOM 898 CB GLN A 62 1.484 6.040 1.030 1.00 0.00 C ATOM 899 CG GLN A 62 2.847 6.221 1.701 1.00 0.00 C ATOM 900 CD GLN A 62 2.932 5.321 2.934 1.00 0.00 C ATOM 901 OE1 GLN A 62 3.618 4.318 2.922 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.259 5.639 4.006 1.00 0.00 N ATOM 0 H GLN A 62 1.246 8.864 0.258 1.00 0.00 H new ATOM 0 HA GLN A 62 2.039 6.315 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.694 6.395 1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.296 4.982 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.645 5.973 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.987 7.263 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.683 6.481 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.309 5.046 4.834 1.00 0.00 H new ATOM 911 N ILE A 63 -0.430 5.960 -1.572 1.00 0.00 N ATOM 912 CA ILE A 63 -1.818 6.017 -2.100 1.00 0.00 C ATOM 913 C ILE A 63 -2.517 4.667 -1.922 1.00 0.00 C ATOM 914 O ILE A 63 -1.889 3.627 -1.904 1.00 0.00 O ATOM 915 CB ILE A 63 -1.660 6.349 -3.583 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.206 5.102 -4.345 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.621 7.458 -3.758 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.436 4.307 -4.791 1.00 0.00 C ATOM 0 H ILE A 63 0.111 5.144 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.427 6.754 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.619 6.687 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.610 5.388 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.570 4.485 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.512 7.691 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.947 8.350 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.337 7.125 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.117 3.418 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.014 4.010 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.054 4.927 -5.441 1.00 0.00 H new ATOM 930 N GLU A 64 -3.816 4.677 -1.807 1.00 0.00 N ATOM 931 CA GLU A 64 -4.562 3.398 -1.650 1.00 0.00 C ATOM 932 C GLU A 64 -5.164 2.997 -2.997 1.00 0.00 C ATOM 933 O GLU A 64 -5.232 3.792 -3.912 1.00 0.00 O ATOM 934 CB GLU A 64 -5.664 3.701 -0.634 1.00 0.00 C ATOM 935 CG GLU A 64 -5.053 4.366 0.600 1.00 0.00 C ATOM 936 CD GLU A 64 -6.166 4.974 1.456 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.187 4.325 1.614 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.978 6.078 1.940 1.00 0.00 O ATOM 0 H GLU A 64 -4.394 5.518 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.928 2.576 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.413 4.356 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.174 2.780 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.492 3.634 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.348 5.140 0.297 1.00 0.00 H new ATOM 945 N PHE A 65 -5.599 1.775 -3.135 1.00 0.00 N ATOM 946 CA PHE A 65 -6.187 1.353 -4.436 1.00 0.00 C ATOM 947 C PHE A 65 -7.145 2.429 -4.954 1.00 0.00 C ATOM 948 O PHE A 65 -6.859 3.111 -5.916 1.00 0.00 O ATOM 949 CB PHE A 65 -6.949 0.062 -4.146 1.00 0.00 C ATOM 950 CG PHE A 65 -7.793 -0.272 -5.348 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.176 -0.566 -6.569 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.188 -0.271 -5.248 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.954 -0.860 -7.691 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.967 -0.564 -6.374 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.350 -0.858 -7.594 1.00 0.00 C ATOM 0 H PHE A 65 -5.573 1.057 -2.411 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.421 1.205 -5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.253 -0.750 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.577 0.182 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.099 -0.566 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.663 -0.045 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.478 -1.089 -8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.044 -0.563 -6.300 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.951 -1.084 -8.462 1.00 0.00 H new ATOM 965 N SER A 66 -8.282 2.576 -4.322 1.00 0.00 N ATOM 966 CA SER A 66 -9.276 3.603 -4.763 1.00 0.00 C ATOM 967 C SER A 66 -8.565 4.852 -5.295 1.00 0.00 C ATOM 968 O SER A 66 -8.927 5.390 -6.323 1.00 0.00 O ATOM 969 CB SER A 66 -10.078 3.939 -3.508 1.00 0.00 C ATOM 970 OG SER A 66 -10.686 5.215 -3.667 1.00 0.00 O ATOM 0 H SER A 66 -8.567 2.024 -3.513 1.00 0.00 H new ATOM 0 HA SER A 66 -9.909 3.237 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.840 3.179 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.425 3.940 -2.635 1.00 0.00 H new ATOM 0 HG SER A 66 -11.203 5.433 -2.864 1.00 0.00 H new ATOM 976 N GLU A 67 -7.549 5.311 -4.616 1.00 0.00 N ATOM 977 CA GLU A 67 -6.817 6.512 -5.106 1.00 0.00 C ATOM 978 C GLU A 67 -6.193 6.199 -6.466 1.00 0.00 C ATOM 979 O GLU A 67 -6.294 6.967 -7.403 1.00 0.00 O ATOM 980 CB GLU A 67 -5.738 6.782 -4.057 1.00 0.00 C ATOM 981 CG GLU A 67 -6.389 6.919 -2.680 1.00 0.00 C ATOM 982 CD GLU A 67 -5.408 7.584 -1.713 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.481 8.219 -2.186 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.601 7.446 -0.516 1.00 0.00 O ATOM 0 H GLU A 67 -7.196 4.908 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.464 7.379 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.012 5.969 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.193 7.693 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.300 7.512 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.678 5.938 -2.304 1.00 0.00 H new ATOM 991 N PHE A 68 -5.567 5.059 -6.586 1.00 0.00 N ATOM 992 CA PHE A 68 -4.957 4.677 -7.890 1.00 0.00 C ATOM 993 C PHE A 68 -6.031 4.737 -8.978 1.00 0.00 C ATOM 994 O PHE A 68 -5.763 5.073 -10.114 1.00 0.00 O ATOM 995 CB PHE A 68 -4.451 3.244 -7.674 1.00 0.00 C ATOM 996 CG PHE A 68 -4.416 2.488 -8.985 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.676 2.985 -10.064 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.119 1.284 -9.113 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.640 2.277 -11.271 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.082 0.576 -10.319 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.342 1.072 -11.399 1.00 0.00 C ATOM 0 H PHE A 68 -5.452 4.376 -5.837 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.149 5.337 -8.205 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.454 3.267 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.099 2.726 -6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.133 3.914 -9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.690 0.902 -8.280 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.070 2.660 -12.104 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.624 -0.353 -10.417 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.313 0.526 -12.330 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.250 4.425 -8.629 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.351 4.475 -9.630 1.00 0.00 C ATOM 1013 C LEU A 69 -8.659 5.930 -9.982 1.00 0.00 C ATOM 1014 O LEU A 69 -8.698 6.307 -11.137 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.548 3.826 -8.935 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.591 2.338 -9.281 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -10.003 2.166 -10.742 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.206 1.726 -9.066 1.00 0.00 C ATOM 0 H LEU A 69 -7.530 4.137 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.097 3.964 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.471 3.958 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.472 4.311 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.315 1.836 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.034 1.105 -10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.990 2.603 -10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.280 2.667 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.235 0.665 -9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.483 2.228 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.912 1.849 -8.024 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.868 6.753 -8.991 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.162 8.187 -9.266 1.00 0.00 C ATOM 1032 C ALA A 70 -8.214 8.709 -10.347 1.00 0.00 C ATOM 1033 O ALA A 70 -8.607 9.437 -11.236 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.913 8.902 -7.938 1.00 0.00 C ATOM 0 H ALA A 70 -8.848 6.495 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.179 8.347 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.108 9.968 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.576 8.494 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.877 8.755 -7.634 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.965 8.333 -10.278 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.987 8.798 -11.302 1.00 0.00 C ATOM 1042 C LEU A 71 -6.032 7.879 -12.526 1.00 0.00 C ATOM 1043 O LEU A 71 -5.781 8.298 -13.638 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.624 8.714 -10.616 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.540 9.217 -11.570 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.061 10.597 -11.115 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.362 8.240 -11.564 1.00 0.00 C ATOM 0 H LEU A 71 -6.580 7.724 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.202 9.807 -11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.627 9.311 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.416 7.685 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.948 9.288 -12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.288 10.956 -11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.900 11.293 -11.119 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.653 10.526 -10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.589 8.598 -12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.954 8.168 -10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.703 7.257 -11.888 1.00 0.00 H new ATOM 1059 N MET A 72 -6.347 6.627 -12.329 1.00 0.00 N ATOM 1060 CA MET A 72 -6.405 5.682 -13.481 1.00 0.00 C ATOM 1061 C MET A 72 -7.520 6.095 -14.446 1.00 0.00 C ATOM 1062 O MET A 72 -7.276 6.705 -15.468 1.00 0.00 O ATOM 1063 CB MET A 72 -6.712 4.317 -12.865 1.00 0.00 C ATOM 1064 CG MET A 72 -5.562 3.355 -13.163 1.00 0.00 C ATOM 1065 SD MET A 72 -5.406 3.138 -14.953 1.00 0.00 S ATOM 1066 CE MET A 72 -3.848 2.219 -14.936 1.00 0.00 C ATOM 0 H MET A 72 -6.567 6.218 -11.421 1.00 0.00 H new ATOM 0 HA MET A 72 -5.476 5.671 -14.050 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.849 4.414 -11.788 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.644 3.924 -13.271 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.631 3.745 -12.751 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.745 2.393 -12.684 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.558 1.976 -15.958 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.071 2.828 -14.473 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.975 1.298 -14.366 1.00 0.00 H new ATOM 1076 N SER A 73 -8.743 5.766 -14.129 1.00 0.00 N ATOM 1077 CA SER A 73 -9.873 6.140 -15.030 1.00 0.00 C ATOM 1078 C SER A 73 -9.892 7.654 -15.254 1.00 0.00 C ATOM 1079 O SER A 73 -10.156 8.127 -16.342 1.00 0.00 O ATOM 1080 CB SER A 73 -11.133 5.692 -14.291 1.00 0.00 C ATOM 1081 OG SER A 73 -11.308 4.292 -14.469 1.00 0.00 O ATOM 0 H SER A 73 -9.009 5.255 -13.287 1.00 0.00 H new ATOM 0 HA SER A 73 -9.789 5.675 -16.012 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.050 5.928 -13.230 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.002 6.230 -14.670 1.00 0.00 H new ATOM 0 HG SER A 73 -11.872 4.130 -15.254 1.00 0.00 H new ATOM 1087 N ARG A 74 -9.615 8.418 -14.234 1.00 0.00 N ATOM 1088 CA ARG A 74 -9.617 9.902 -14.389 1.00 0.00 C ATOM 1089 C ARG A 74 -10.955 10.370 -14.970 1.00 0.00 C ATOM 1090 O ARG A 74 -11.226 10.203 -16.143 1.00 0.00 O ATOM 1091 CB ARG A 74 -8.477 10.200 -15.364 1.00 0.00 C ATOM 1092 CG ARG A 74 -7.857 11.557 -15.025 1.00 0.00 C ATOM 1093 CD ARG A 74 -8.964 12.603 -14.882 1.00 0.00 C ATOM 1094 NE ARG A 74 -8.254 13.913 -14.854 1.00 0.00 N ATOM 1095 CZ ARG A 74 -8.933 15.024 -14.944 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -10.004 15.196 -14.220 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -8.538 15.964 -15.758 1.00 0.00 N ATOM 0 H ARG A 74 -9.387 8.080 -13.299 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.485 10.417 -13.438 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.720 9.418 -15.305 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.852 10.205 -16.388 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.287 11.487 -14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.159 11.855 -15.807 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.666 12.552 -15.715 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.540 12.446 -13.970 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.238 13.941 -14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.312 14.462 -13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.534 16.065 -14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.699 15.830 -16.323 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.068 16.833 -15.829 1.00 0.00 H new ATOM 1111 N GLN A 75 -11.793 10.954 -14.158 1.00 0.00 N ATOM 1112 CA GLN A 75 -13.112 11.432 -14.664 1.00 0.00 C ATOM 1113 C GLN A 75 -12.923 12.663 -15.554 1.00 0.00 C ATOM 1114 O GLN A 75 -11.887 12.851 -16.158 1.00 0.00 O ATOM 1115 CB GLN A 75 -13.910 11.792 -13.411 1.00 0.00 C ATOM 1116 CG GLN A 75 -15.225 11.012 -13.400 1.00 0.00 C ATOM 1117 CD GLN A 75 -16.313 11.851 -12.726 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -16.030 12.881 -12.147 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -17.554 11.453 -12.778 1.00 0.00 N ATOM 0 H GLN A 75 -11.622 11.121 -13.166 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.620 10.680 -15.268 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.330 11.559 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -14.110 12.863 -13.390 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.521 10.765 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.096 10.070 -12.868 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.792 10.588 -13.264 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.286 12.006 -12.333 1.00 0.00 H new ATOM 1128 N LEU A 76 -13.917 13.504 -15.638 1.00 0.00 N ATOM 1129 CA LEU A 76 -13.795 14.722 -16.488 1.00 0.00 C ATOM 1130 C LEU A 76 -14.370 15.937 -15.757 1.00 0.00 C ATOM 1131 O LEU A 76 -15.569 16.127 -15.697 1.00 0.00 O ATOM 1132 CB LEU A 76 -14.612 14.414 -17.743 1.00 0.00 C ATOM 1133 CG LEU A 76 -13.734 14.594 -18.982 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -12.663 13.502 -19.013 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -14.601 14.493 -20.239 1.00 0.00 C ATOM 0 H LEU A 76 -14.809 13.400 -15.154 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.758 14.957 -16.726 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.993 13.394 -17.700 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -15.477 15.075 -17.798 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.254 15.572 -18.948 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.038 13.631 -19.896 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.045 13.573 -18.118 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.142 12.523 -19.047 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.976 14.621 -21.123 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.081 13.515 -20.272 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -15.364 15.271 -20.218 1.00 0.00 H new ATOM 1147 N LYS A 77 -13.526 16.763 -15.202 1.00 0.00 N ATOM 1148 CA LYS A 77 -14.027 17.965 -14.475 1.00 0.00 C ATOM 1149 C LYS A 77 -13.637 19.240 -15.230 1.00 0.00 C ATOM 1150 O LYS A 77 -13.438 19.156 -16.431 1.00 0.00 O ATOM 1151 CB LYS A 77 -13.338 17.919 -13.111 1.00 0.00 C ATOM 1152 CG LYS A 77 -14.155 18.725 -12.098 1.00 0.00 C ATOM 1153 CD LYS A 77 -15.219 17.824 -11.468 1.00 0.00 C ATOM 1154 CE LYS A 77 -14.639 17.139 -10.228 1.00 0.00 C ATOM 1155 NZ LYS A 77 -15.716 16.225 -9.756 1.00 0.00 N ATOM 1156 OXT LYS A 77 -13.545 20.277 -14.593 1.00 0.00 O ATOM 0 H LYS A 77 -12.512 16.658 -15.220 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.113 17.969 -14.383 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.240 16.886 -12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.330 18.326 -13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.500 19.128 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.628 19.575 -12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.094 18.413 -11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.550 17.076 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.731 16.587 -10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.375 17.867 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.394 15.718 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.566 16.779 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.941 15.539 -10.504 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 1.996 -1.584 1.371 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.098 8.281 -0.087 1.00 0.00 CA