USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 60 ASN : amide:sc= -6.88! C(o=-7.9!,f=-20!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 160:sc= -0.0255 USER MOD Single : A 8 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.244 (180deg=-1.25!) USER MOD Single : A 21 LYS NZ :NH3+ 137:sc= -2.21 (180deg=-4.59!) USER MOD Single : A 26 CYS SG : rot 46:sc= -0.955! USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.0121 USER MOD Single : A 38 SER OG : rot 79:sc= 0.0222 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 67:sc= 1.2 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 176:sc= -0.138 (180deg=-0.257) USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.672 (180deg=-4.35!) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.181) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 65:sc= 0.614 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -27.469 -0.942 6.440 1.00 0.00 N ATOM 2 CA ALA A 1 -27.516 -2.252 7.150 1.00 0.00 C ATOM 3 C ALA A 1 -26.136 -2.906 7.109 1.00 0.00 C ATOM 4 O ALA A 1 -25.299 -2.666 7.981 1.00 0.00 O ATOM 5 CB ALA A 1 -28.544 -3.160 6.471 1.00 0.00 C ATOM 0 H1 ALA A 1 -28.409 -0.498 6.469 1.00 0.00 H new ATOM 0 H2 ALA A 1 -26.778 -0.320 6.905 1.00 0.00 H new ATOM 0 H3 ALA A 1 -27.188 -1.093 5.450 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.805 -2.095 8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -28.580 -4.119 6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -29.526 -2.690 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.258 -3.319 5.431 1.00 0.00 H new ATOM 13 N ASP A 2 -25.905 -3.730 6.091 1.00 0.00 N ATOM 14 CA ASP A 2 -24.621 -4.414 5.941 1.00 0.00 C ATOM 15 C ASP A 2 -24.250 -5.163 7.218 1.00 0.00 C ATOM 16 O ASP A 2 -23.497 -4.656 8.051 1.00 0.00 O ATOM 17 CB ASP A 2 -23.524 -3.402 5.612 1.00 0.00 C ATOM 18 CG ASP A 2 -23.726 -2.854 4.205 1.00 0.00 C ATOM 19 OD1 ASP A 2 -24.562 -3.390 3.496 1.00 0.00 O ATOM 20 OD2 ASP A 2 -23.043 -1.905 3.857 1.00 0.00 O ATOM 0 H ASP A 2 -26.585 -3.941 5.360 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.714 -5.133 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -23.542 -2.586 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -22.545 -3.876 5.690 1.00 0.00 H new ATOM 25 N ILE A 3 -24.783 -6.372 7.365 1.00 0.00 N ATOM 26 CA ILE A 3 -24.506 -7.196 8.543 1.00 0.00 C ATOM 27 C ILE A 3 -23.281 -8.076 8.304 1.00 0.00 C ATOM 28 O ILE A 3 -22.155 -7.584 8.258 1.00 0.00 O ATOM 29 CB ILE A 3 -25.728 -8.071 8.855 1.00 0.00 C ATOM 30 CG1 ILE A 3 -26.303 -8.619 7.544 1.00 0.00 C ATOM 31 CG2 ILE A 3 -26.797 -7.233 9.565 1.00 0.00 C ATOM 32 CD1 ILE A 3 -27.284 -9.750 7.846 1.00 0.00 C ATOM 0 H ILE A 3 -25.409 -6.805 6.686 1.00 0.00 H new ATOM 0 HA ILE A 3 -24.301 -6.543 9.391 1.00 0.00 H new ATOM 0 HB ILE A 3 -25.428 -8.896 9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -26.808 -7.823 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -25.498 -8.984 6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -27.663 -7.858 9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -26.390 -6.837 10.495 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -27.100 -6.408 8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -27.691 -10.138 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -26.766 -10.550 8.375 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -28.096 -9.371 8.466 1.00 0.00 H new ATOM 44 N LEU A 4 -23.503 -9.375 8.145 1.00 0.00 N ATOM 45 CA LEU A 4 -22.406 -10.303 7.905 1.00 0.00 C ATOM 46 C LEU A 4 -21.978 -10.233 6.440 1.00 0.00 C ATOM 47 O LEU A 4 -20.952 -10.792 6.052 1.00 0.00 O ATOM 48 CB LEU A 4 -22.832 -11.737 8.258 1.00 0.00 C ATOM 49 CG LEU A 4 -22.763 -11.949 9.778 1.00 0.00 C ATOM 50 CD1 LEU A 4 -23.816 -11.082 10.477 1.00 0.00 C ATOM 51 CD2 LEU A 4 -23.019 -13.426 10.091 1.00 0.00 C ATOM 0 H LEU A 4 -24.426 -9.807 8.178 1.00 0.00 H new ATOM 0 HA LEU A 4 -21.564 -10.022 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -23.846 -11.921 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -22.183 -12.452 7.753 1.00 0.00 H new ATOM 0 HG LEU A 4 -21.775 -11.662 10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -23.760 -11.239 11.554 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -23.629 -10.032 10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -24.809 -11.358 10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -22.971 -13.583 11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -24.006 -13.709 9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -22.262 -14.038 9.601 1.00 0.00 H new ATOM 63 N SER A 5 -22.778 -9.538 5.633 1.00 0.00 N ATOM 64 CA SER A 5 -22.482 -9.397 4.211 1.00 0.00 C ATOM 65 C SER A 5 -21.062 -8.882 4.000 1.00 0.00 C ATOM 66 O SER A 5 -20.361 -9.332 3.093 1.00 0.00 O ATOM 67 CB SER A 5 -23.472 -8.421 3.569 1.00 0.00 C ATOM 68 OG SER A 5 -23.364 -7.155 4.209 1.00 0.00 O ATOM 0 H SER A 5 -23.630 -9.067 5.938 1.00 0.00 H new ATOM 0 HA SER A 5 -22.573 -10.378 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.264 -8.322 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.489 -8.803 3.661 1.00 0.00 H new ATOM 0 HG SER A 5 -23.734 -6.461 3.625 1.00 0.00 H new ATOM 74 N GLU A 6 -20.641 -7.937 4.833 1.00 0.00 N ATOM 75 CA GLU A 6 -19.299 -7.372 4.711 1.00 0.00 C ATOM 76 C GLU A 6 -18.247 -8.361 5.198 1.00 0.00 C ATOM 77 O GLU A 6 -17.742 -8.242 6.314 1.00 0.00 O ATOM 78 CB GLU A 6 -19.204 -6.077 5.528 1.00 0.00 C ATOM 79 CG GLU A 6 -19.922 -6.262 6.867 1.00 0.00 C ATOM 80 CD GLU A 6 -19.578 -5.112 7.807 1.00 0.00 C ATOM 81 OE1 GLU A 6 -19.863 -3.981 7.454 1.00 0.00 O ATOM 82 OE2 GLU A 6 -19.033 -5.381 8.865 1.00 0.00 O ATOM 0 H GLU A 6 -21.201 -7.548 5.592 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.112 -7.157 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.159 -5.817 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.652 -5.252 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.000 -6.303 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.630 -7.211 7.318 1.00 0.00 H new ATOM 89 N GLU A 7 -17.912 -9.334 4.356 1.00 0.00 N ATOM 90 CA GLU A 7 -16.908 -10.334 4.718 1.00 0.00 C ATOM 91 C GLU A 7 -15.529 -9.924 4.195 1.00 0.00 C ATOM 92 O GLU A 7 -14.588 -9.733 4.970 1.00 0.00 O ATOM 93 CB GLU A 7 -17.302 -11.697 4.144 1.00 0.00 C ATOM 94 CG GLU A 7 -16.409 -12.780 4.754 1.00 0.00 C ATOM 95 CD GLU A 7 -16.770 -12.987 6.222 1.00 0.00 C ATOM 96 OE1 GLU A 7 -17.771 -12.432 6.650 1.00 0.00 O ATOM 97 OE2 GLU A 7 -16.044 -13.698 6.896 1.00 0.00 O ATOM 0 H GLU A 7 -18.315 -9.453 3.427 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.859 -10.403 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.349 -11.907 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.197 -11.692 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.530 -13.714 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.361 -12.492 4.666 1.00 0.00 H new ATOM 104 N GLN A 8 -15.413 -9.791 2.878 1.00 0.00 N ATOM 105 CA GLN A 8 -14.143 -9.410 2.271 1.00 0.00 C ATOM 106 C GLN A 8 -13.756 -7.996 2.697 1.00 0.00 C ATOM 107 O GLN A 8 -12.576 -7.677 2.828 1.00 0.00 O ATOM 108 CB GLN A 8 -14.234 -9.491 0.736 1.00 0.00 C ATOM 109 CG GLN A 8 -15.192 -10.613 0.339 1.00 0.00 C ATOM 110 CD GLN A 8 -14.776 -11.918 1.012 1.00 0.00 C ATOM 111 OE1 GLN A 8 -13.584 -12.214 1.116 1.00 0.00 O ATOM 112 NE2 GLN A 8 -15.692 -12.722 1.478 1.00 0.00 N ATOM 0 H GLN A 8 -16.175 -9.940 2.216 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.376 -10.105 2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.583 -8.541 0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.247 -9.675 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.210 -10.353 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.191 -10.737 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.678 -12.476 1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.422 -13.596 1.929 1.00 0.00 H new ATOM 121 N ILE A 9 -14.755 -7.147 2.903 1.00 0.00 N ATOM 122 CA ILE A 9 -14.490 -5.772 3.302 1.00 0.00 C ATOM 123 C ILE A 9 -13.799 -5.746 4.658 1.00 0.00 C ATOM 124 O ILE A 9 -12.828 -5.017 4.851 1.00 0.00 O ATOM 125 CB ILE A 9 -15.798 -4.976 3.367 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.567 -5.154 2.048 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.484 -3.490 3.576 1.00 0.00 C ATOM 128 CD1 ILE A 9 -15.664 -4.828 0.853 1.00 0.00 C ATOM 0 H ILE A 9 -15.742 -7.382 2.802 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.836 -5.313 2.561 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.404 -5.339 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.931 -6.178 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.441 -4.503 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.415 -2.924 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.935 -3.362 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.879 -3.126 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.224 -4.959 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.321 -3.796 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.803 -5.497 0.854 1.00 0.00 H new ATOM 140 N VAL A 10 -14.290 -6.553 5.592 1.00 0.00 N ATOM 141 CA VAL A 10 -13.683 -6.603 6.916 1.00 0.00 C ATOM 142 C VAL A 10 -12.249 -7.115 6.817 1.00 0.00 C ATOM 143 O VAL A 10 -11.330 -6.525 7.388 1.00 0.00 O ATOM 144 CB VAL A 10 -14.500 -7.508 7.843 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.778 -7.657 9.187 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.879 -6.887 8.075 1.00 0.00 C ATOM 0 H VAL A 10 -15.091 -7.170 5.461 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.672 -5.595 7.332 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.613 -8.489 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.362 -8.301 9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.795 -8.099 9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.663 -6.676 9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.461 -7.530 8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.763 -5.905 8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.396 -6.782 7.121 1.00 0.00 H new ATOM 156 N ASP A 11 -12.052 -8.205 6.079 1.00 0.00 N ATOM 157 CA ASP A 11 -10.710 -8.755 5.920 1.00 0.00 C ATOM 158 C ASP A 11 -9.817 -7.764 5.179 1.00 0.00 C ATOM 159 O ASP A 11 -8.665 -7.541 5.559 1.00 0.00 O ATOM 160 CB ASP A 11 -10.769 -10.080 5.154 1.00 0.00 C ATOM 161 CG ASP A 11 -9.360 -10.625 4.942 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.420 -9.965 5.355 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.240 -11.693 4.363 1.00 0.00 O ATOM 0 H ASP A 11 -12.788 -8.715 5.591 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.289 -8.937 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.368 -10.803 5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.259 -9.931 4.192 1.00 0.00 H new ATOM 168 N PHE A 12 -10.352 -7.170 4.117 1.00 0.00 N ATOM 169 CA PHE A 12 -9.587 -6.211 3.331 1.00 0.00 C ATOM 170 C PHE A 12 -9.192 -5.032 4.205 1.00 0.00 C ATOM 171 O PHE A 12 -8.050 -4.573 4.162 1.00 0.00 O ATOM 172 CB PHE A 12 -10.409 -5.726 2.124 1.00 0.00 C ATOM 173 CG PHE A 12 -10.277 -6.712 0.979 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.325 -8.092 1.223 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.103 -6.247 -0.327 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.202 -8.994 0.167 1.00 0.00 C ATOM 177 CE2 PHE A 12 -9.982 -7.154 -1.386 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.034 -8.524 -1.140 1.00 0.00 C ATOM 0 H PHE A 12 -11.302 -7.334 3.784 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.686 -6.699 2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.457 -5.620 2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.063 -4.742 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.457 -8.457 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.062 -5.185 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.236 -10.056 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.848 -6.791 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.945 -9.223 -1.958 1.00 0.00 H new ATOM 188 N LYS A 13 -10.137 -4.537 4.995 1.00 0.00 N ATOM 189 CA LYS A 13 -9.863 -3.409 5.866 1.00 0.00 C ATOM 190 C LYS A 13 -8.728 -3.747 6.821 1.00 0.00 C ATOM 191 O LYS A 13 -7.887 -2.899 7.117 1.00 0.00 O ATOM 192 CB LYS A 13 -11.127 -3.045 6.660 1.00 0.00 C ATOM 193 CG LYS A 13 -10.896 -1.782 7.510 1.00 0.00 C ATOM 194 CD LYS A 13 -10.865 -0.533 6.619 1.00 0.00 C ATOM 195 CE LYS A 13 -10.977 0.714 7.494 1.00 0.00 C ATOM 196 NZ LYS A 13 -12.267 0.681 8.237 1.00 0.00 N ATOM 0 H LYS A 13 -11.090 -4.897 5.048 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.566 -2.555 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.958 -2.880 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.408 -3.877 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.688 -1.686 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.956 -1.870 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.940 -0.506 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.685 -0.563 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.142 0.757 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.923 1.611 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.585 1.653 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.983 0.186 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.135 0.181 9.139 1.00 0.00 H new ATOM 210 N GLU A 14 -8.690 -4.989 7.295 1.00 0.00 N ATOM 211 CA GLU A 14 -7.631 -5.401 8.203 1.00 0.00 C ATOM 212 C GLU A 14 -6.288 -5.369 7.490 1.00 0.00 C ATOM 213 O GLU A 14 -5.265 -5.020 8.078 1.00 0.00 O ATOM 214 CB GLU A 14 -7.897 -6.809 8.717 1.00 0.00 C ATOM 215 CG GLU A 14 -7.057 -7.066 9.976 1.00 0.00 C ATOM 216 CD GLU A 14 -7.661 -6.325 11.166 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.760 -5.812 11.024 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.022 -6.289 12.205 1.00 0.00 O ATOM 0 H GLU A 14 -9.369 -5.715 7.069 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.609 -4.709 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.956 -6.930 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.650 -7.540 7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.017 -8.135 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.031 -6.735 9.813 1.00 0.00 H new ATOM 225 N ALA A 15 -6.304 -5.719 6.212 1.00 0.00 N ATOM 226 CA ALA A 15 -5.073 -5.706 5.427 1.00 0.00 C ATOM 227 C ALA A 15 -4.566 -4.272 5.268 1.00 0.00 C ATOM 228 O ALA A 15 -3.370 -4.009 5.412 1.00 0.00 O ATOM 229 CB ALA A 15 -5.300 -6.332 4.047 1.00 0.00 C ATOM 0 H ALA A 15 -7.138 -6.011 5.702 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.325 -6.296 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.369 -6.311 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.630 -7.364 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.063 -5.767 3.512 1.00 0.00 H new ATOM 235 N PHE A 16 -5.477 -3.341 4.984 1.00 0.00 N ATOM 236 CA PHE A 16 -5.097 -1.944 4.826 1.00 0.00 C ATOM 237 C PHE A 16 -4.682 -1.342 6.165 1.00 0.00 C ATOM 238 O PHE A 16 -3.639 -0.699 6.268 1.00 0.00 O ATOM 239 CB PHE A 16 -6.270 -1.150 4.253 1.00 0.00 C ATOM 240 CG PHE A 16 -5.854 0.284 4.046 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.242 0.668 2.848 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.080 1.231 5.052 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.857 1.996 2.653 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.692 2.560 4.858 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.081 2.940 3.658 1.00 0.00 C ATOM 0 H PHE A 16 -6.472 -3.529 4.860 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.250 -1.894 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.591 -1.587 3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.122 -1.198 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.067 -0.064 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.553 0.935 5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.387 2.293 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.864 3.292 5.633 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.782 3.967 3.508 1.00 0.00 H new ATOM 255 N GLY A 17 -5.509 -1.549 7.187 1.00 0.00 N ATOM 256 CA GLY A 17 -5.207 -1.008 8.506 1.00 0.00 C ATOM 257 C GLY A 17 -3.864 -1.527 8.990 1.00 0.00 C ATOM 258 O GLY A 17 -3.060 -0.775 9.539 1.00 0.00 O ATOM 0 H GLY A 17 -6.379 -2.078 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.191 0.081 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.989 -1.290 9.211 1.00 0.00 H new ATOM 262 N LEU A 18 -3.614 -2.815 8.772 1.00 0.00 N ATOM 263 CA LEU A 18 -2.356 -3.411 9.175 1.00 0.00 C ATOM 264 C LEU A 18 -1.203 -2.760 8.419 1.00 0.00 C ATOM 265 O LEU A 18 -0.129 -2.533 8.977 1.00 0.00 O ATOM 266 CB LEU A 18 -2.398 -4.930 8.905 1.00 0.00 C ATOM 267 CG LEU A 18 -3.148 -5.663 10.031 1.00 0.00 C ATOM 268 CD1 LEU A 18 -3.353 -7.131 9.632 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.336 -5.598 11.344 1.00 0.00 C ATOM 0 H LEU A 18 -4.265 -3.458 8.321 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.200 -3.247 10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.888 -5.121 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.383 -5.318 8.825 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.114 -5.182 10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.884 -7.654 10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.937 -7.180 8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.384 -7.603 9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.877 -6.120 12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.365 -6.071 11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.192 -4.557 11.631 1.00 0.00 H new ATOM 281 N PHE A 19 -1.429 -2.461 7.146 1.00 0.00 N ATOM 282 CA PHE A 19 -0.399 -1.832 6.317 1.00 0.00 C ATOM 283 C PHE A 19 -0.144 -0.419 6.768 1.00 0.00 C ATOM 284 O PHE A 19 1.002 0.024 6.842 1.00 0.00 O ATOM 285 CB PHE A 19 -0.840 -1.852 4.849 1.00 0.00 C ATOM 286 CG PHE A 19 -0.947 -3.292 4.331 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.686 -4.414 5.168 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.333 -3.515 2.999 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.803 -5.703 4.672 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.445 -4.825 2.510 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.178 -5.915 3.349 1.00 0.00 C ATOM 0 H PHE A 19 -2.310 -2.641 6.664 1.00 0.00 H new ATOM 0 HA PHE A 19 0.530 -2.393 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.803 -1.352 4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.126 -1.295 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.395 -4.260 6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.544 -2.677 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.602 -6.547 5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.738 -4.994 1.484 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.263 -6.922 2.968 1.00 0.00 H new ATOM 301 N ASP A 20 -1.211 0.278 7.074 1.00 0.00 N ATOM 302 CA ASP A 20 -1.102 1.644 7.525 1.00 0.00 C ATOM 303 C ASP A 20 -0.709 1.683 9.000 1.00 0.00 C ATOM 304 O ASP A 20 -1.324 2.377 9.805 1.00 0.00 O ATOM 305 CB ASP A 20 -2.441 2.329 7.297 1.00 0.00 C ATOM 306 CG ASP A 20 -2.439 3.722 7.911 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.360 4.227 8.177 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.512 4.263 8.105 1.00 0.00 O ATOM 0 H ASP A 20 -2.165 -0.078 7.019 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.326 2.167 6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.644 2.397 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.241 1.733 7.736 1.00 0.00 H new ATOM 313 N LYS A 21 0.301 0.889 9.351 1.00 0.00 N ATOM 314 CA LYS A 21 0.760 0.800 10.738 1.00 0.00 C ATOM 315 C LYS A 21 0.685 2.155 11.447 1.00 0.00 C ATOM 316 O LYS A 21 0.574 2.207 12.672 1.00 0.00 O ATOM 317 CB LYS A 21 2.206 0.294 10.793 1.00 0.00 C ATOM 318 CG LYS A 21 2.285 -1.157 10.292 1.00 0.00 C ATOM 319 CD LYS A 21 3.573 -1.806 10.805 1.00 0.00 C ATOM 320 CE LYS A 21 4.791 -1.049 10.260 1.00 0.00 C ATOM 321 NZ LYS A 21 5.039 0.154 11.102 1.00 0.00 N ATOM 0 H LYS A 21 0.816 0.299 8.697 1.00 0.00 H new ATOM 0 HA LYS A 21 0.099 0.099 11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.845 0.932 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.580 0.354 11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.419 -1.720 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.264 -1.178 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.586 -1.797 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.614 -2.850 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.668 -1.697 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.617 -0.754 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.059 0.247 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.697 1.002 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.535 0.055 12.006 1.00 0.00 H new ATOM 335 N ASP A 22 0.756 3.250 10.687 1.00 0.00 N ATOM 336 CA ASP A 22 0.706 4.585 11.282 1.00 0.00 C ATOM 337 C ASP A 22 -0.719 4.970 11.683 1.00 0.00 C ATOM 338 O ASP A 22 -0.918 5.759 12.608 1.00 0.00 O ATOM 339 CB ASP A 22 1.241 5.602 10.275 1.00 0.00 C ATOM 340 CG ASP A 22 2.542 5.089 9.668 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.526 5.027 10.389 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.535 4.761 8.493 1.00 0.00 O ATOM 0 H ASP A 22 0.847 3.239 9.671 1.00 0.00 H new ATOM 0 HA ASP A 22 1.319 4.580 12.183 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.505 5.773 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.411 6.560 10.766 1.00 0.00 H new ATOM 347 N GLY A 23 -1.706 4.409 10.993 1.00 0.00 N ATOM 348 CA GLY A 23 -3.104 4.701 11.298 1.00 0.00 C ATOM 349 C GLY A 23 -3.553 6.025 10.683 1.00 0.00 C ATOM 350 O GLY A 23 -4.628 6.529 11.005 1.00 0.00 O ATOM 0 H GLY A 23 -1.567 3.754 10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.734 3.894 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.241 4.737 12.379 1.00 0.00 H new ATOM 354 N ASP A 24 -2.724 6.600 9.814 1.00 0.00 N ATOM 355 CA ASP A 24 -3.069 7.875 9.195 1.00 0.00 C ATOM 356 C ASP A 24 -4.189 7.697 8.178 1.00 0.00 C ATOM 357 O ASP A 24 -4.749 8.674 7.682 1.00 0.00 O ATOM 358 CB ASP A 24 -1.847 8.480 8.504 1.00 0.00 C ATOM 359 CG ASP A 24 -1.299 7.508 7.469 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.828 6.412 7.377 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.353 7.867 6.787 1.00 0.00 O ATOM 0 H ASP A 24 -1.826 6.211 9.527 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.409 8.548 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.119 9.420 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.078 8.710 9.242 1.00 0.00 H new ATOM 366 N GLY A 25 -4.518 6.444 7.874 1.00 0.00 N ATOM 367 CA GLY A 25 -5.579 6.153 6.918 1.00 0.00 C ATOM 368 C GLY A 25 -5.041 6.124 5.492 1.00 0.00 C ATOM 369 O GLY A 25 -5.763 5.779 4.559 1.00 0.00 O ATOM 0 H GLY A 25 -4.068 5.620 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.035 5.192 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.362 6.907 6.999 1.00 0.00 H new ATOM 373 N CYS A 26 -3.771 6.501 5.327 1.00 0.00 N ATOM 374 CA CYS A 26 -3.145 6.526 3.999 1.00 0.00 C ATOM 375 C CYS A 26 -1.785 5.829 4.025 1.00 0.00 C ATOM 376 O CYS A 26 -0.973 6.071 4.918 1.00 0.00 O ATOM 377 CB CYS A 26 -2.960 7.973 3.542 1.00 0.00 C ATOM 378 SG CYS A 26 -2.093 8.906 4.829 1.00 0.00 S ATOM 0 H CYS A 26 -3.158 6.791 6.089 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.798 5.997 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.392 8.002 2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.929 8.428 3.338 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.074 8.218 5.251 1.00 0.00 H new ATOM 384 N ILE A 27 -1.535 4.971 3.031 1.00 0.00 N ATOM 385 CA ILE A 27 -0.254 4.260 2.944 1.00 0.00 C ATOM 386 C ILE A 27 0.613 4.924 1.877 1.00 0.00 C ATOM 387 O ILE A 27 0.251 4.936 0.701 1.00 0.00 O ATOM 388 CB ILE A 27 -0.478 2.797 2.539 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.454 2.112 3.503 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.859 2.050 2.583 1.00 0.00 C ATOM 391 CD1 ILE A 27 -1.954 0.815 2.867 1.00 0.00 C ATOM 0 H ILE A 27 -2.194 4.753 2.283 1.00 0.00 H new ATOM 0 HA ILE A 27 0.232 4.297 3.919 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.895 2.776 1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.960 1.900 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.293 2.772 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.704 1.010 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.560 2.517 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.265 2.091 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.649 0.321 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.462 1.042 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.108 0.156 2.671 1.00 0.00 H new ATOM 403 N THR A 28 1.758 5.473 2.275 1.00 0.00 N ATOM 404 CA THR A 28 2.646 6.120 1.309 1.00 0.00 C ATOM 405 C THR A 28 3.529 5.074 0.643 1.00 0.00 C ATOM 406 O THR A 28 3.606 3.936 1.108 1.00 0.00 O ATOM 407 CB THR A 28 3.523 7.165 2.004 1.00 0.00 C ATOM 408 OG1 THR A 28 4.401 6.519 2.914 1.00 0.00 O ATOM 409 CG2 THR A 28 2.640 8.155 2.761 1.00 0.00 C ATOM 0 H THR A 28 2.090 5.485 3.240 1.00 0.00 H new ATOM 0 HA THR A 28 2.037 6.618 0.554 1.00 0.00 H new ATOM 0 HB THR A 28 4.107 7.701 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.963 7.188 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.267 8.898 3.255 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.970 8.654 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.053 7.621 3.508 1.00 0.00 H new ATOM 417 N VAL A 29 4.188 5.446 -0.447 1.00 0.00 N ATOM 418 CA VAL A 29 5.037 4.492 -1.152 1.00 0.00 C ATOM 419 C VAL A 29 6.090 3.925 -0.200 1.00 0.00 C ATOM 420 O VAL A 29 6.331 2.719 -0.180 1.00 0.00 O ATOM 421 CB VAL A 29 5.732 5.165 -2.342 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.357 4.096 -3.243 1.00 0.00 C ATOM 423 CG2 VAL A 29 4.710 5.986 -3.144 1.00 0.00 C ATOM 0 H VAL A 29 4.154 6.380 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 29 4.409 3.682 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 29 6.514 5.829 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.851 4.576 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.088 3.522 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.578 3.428 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.208 6.462 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.923 5.328 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.273 6.751 -2.502 1.00 0.00 H new ATOM 433 N GLU A 30 6.702 4.793 0.600 1.00 0.00 N ATOM 434 CA GLU A 30 7.706 4.347 1.549 1.00 0.00 C ATOM 435 C GLU A 30 7.092 3.352 2.531 1.00 0.00 C ATOM 436 O GLU A 30 7.711 2.347 2.889 1.00 0.00 O ATOM 437 CB GLU A 30 8.265 5.547 2.312 1.00 0.00 C ATOM 438 CG GLU A 30 9.062 6.434 1.356 1.00 0.00 C ATOM 439 CD GLU A 30 9.555 7.680 2.087 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.257 7.811 3.260 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.224 8.485 1.458 1.00 0.00 O ATOM 0 H GLU A 30 6.521 5.797 0.608 1.00 0.00 H new ATOM 0 HA GLU A 30 8.514 3.857 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.451 6.117 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.904 5.207 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.910 5.879 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.439 6.722 0.509 1.00 0.00 H new ATOM 448 N GLU A 31 5.856 3.621 2.941 1.00 0.00 N ATOM 449 CA GLU A 31 5.158 2.732 3.856 1.00 0.00 C ATOM 450 C GLU A 31 4.775 1.441 3.143 1.00 0.00 C ATOM 451 O GLU A 31 4.924 0.348 3.688 1.00 0.00 O ATOM 452 CB GLU A 31 3.903 3.419 4.385 1.00 0.00 C ATOM 453 CG GLU A 31 4.300 4.583 5.297 1.00 0.00 C ATOM 454 CD GLU A 31 3.072 5.428 5.608 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.134 5.384 4.826 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.081 6.109 6.620 1.00 0.00 O ATOM 0 H GLU A 31 5.323 4.442 2.655 1.00 0.00 H new ATOM 0 HA GLU A 31 5.818 2.494 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.299 3.784 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.290 2.705 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.736 4.203 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.062 5.194 4.813 1.00 0.00 H new ATOM 463 N LEU A 32 4.292 1.569 1.913 1.00 0.00 N ATOM 464 CA LEU A 32 3.918 0.385 1.160 1.00 0.00 C ATOM 465 C LEU A 32 5.169 -0.465 0.961 1.00 0.00 C ATOM 466 O LEU A 32 5.144 -1.682 1.140 1.00 0.00 O ATOM 467 CB LEU A 32 3.305 0.785 -0.202 1.00 0.00 C ATOM 468 CG LEU A 32 2.354 -0.311 -0.731 1.00 0.00 C ATOM 469 CD1 LEU A 32 3.005 -1.691 -0.616 1.00 0.00 C ATOM 470 CD2 LEU A 32 1.033 -0.303 0.055 1.00 0.00 C ATOM 0 H LEU A 32 4.154 2.456 1.429 1.00 0.00 H new ATOM 0 HA LEU A 32 3.166 -0.186 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.760 1.723 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.102 0.959 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 32 2.149 -0.100 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.319 -2.449 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.924 -1.709 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.236 -1.899 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.375 -1.082 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.236 -0.490 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.550 0.668 -0.055 1.00 0.00 H new ATOM 482 N ALA A 33 6.264 0.187 0.592 1.00 0.00 N ATOM 483 CA ALA A 33 7.513 -0.525 0.374 1.00 0.00 C ATOM 484 C ALA A 33 7.879 -1.320 1.622 1.00 0.00 C ATOM 485 O ALA A 33 8.352 -2.452 1.532 1.00 0.00 O ATOM 486 CB ALA A 33 8.632 0.462 0.040 1.00 0.00 C ATOM 0 H ALA A 33 6.312 1.194 0.439 1.00 0.00 H new ATOM 0 HA ALA A 33 7.387 -1.210 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.562 -0.083 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.373 1.013 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.760 1.161 0.867 1.00 0.00 H new ATOM 492 N THR A 34 7.635 -0.732 2.789 1.00 0.00 N ATOM 493 CA THR A 34 7.924 -1.420 4.041 1.00 0.00 C ATOM 494 C THR A 34 7.071 -2.687 4.148 1.00 0.00 C ATOM 495 O THR A 34 7.567 -3.741 4.551 1.00 0.00 O ATOM 496 CB THR A 34 7.683 -0.483 5.239 1.00 0.00 C ATOM 497 OG1 THR A 34 8.762 0.437 5.333 1.00 0.00 O ATOM 498 CG2 THR A 34 7.583 -1.284 6.546 1.00 0.00 C ATOM 0 H THR A 34 7.244 0.204 2.894 1.00 0.00 H new ATOM 0 HA THR A 34 8.974 -1.711 4.054 1.00 0.00 H new ATOM 0 HB THR A 34 6.744 0.049 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.646 1.147 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.413 -0.602 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.754 -1.988 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.511 -1.831 6.709 1.00 0.00 H new ATOM 506 N VAL A 35 5.788 -2.593 3.778 1.00 0.00 N ATOM 507 CA VAL A 35 4.918 -3.768 3.845 1.00 0.00 C ATOM 508 C VAL A 35 5.372 -4.829 2.841 1.00 0.00 C ATOM 509 O VAL A 35 5.501 -6.006 3.184 1.00 0.00 O ATOM 510 CB VAL A 35 3.453 -3.378 3.584 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.604 -4.650 3.450 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.939 -2.563 4.772 1.00 0.00 C ATOM 0 H VAL A 35 5.341 -1.741 3.439 1.00 0.00 H new ATOM 0 HA VAL A 35 4.988 -4.186 4.849 1.00 0.00 H new ATOM 0 HB VAL A 35 3.385 -2.792 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.565 -4.376 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.975 -5.249 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.668 -5.229 4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.901 -2.281 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.005 -3.162 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.545 -1.664 4.886 1.00 0.00 H new ATOM 522 N ILE A 36 5.633 -4.406 1.613 1.00 0.00 N ATOM 523 CA ILE A 36 6.083 -5.333 0.587 1.00 0.00 C ATOM 524 C ILE A 36 7.424 -5.931 0.986 1.00 0.00 C ATOM 525 O ILE A 36 7.664 -7.121 0.786 1.00 0.00 O ATOM 526 CB ILE A 36 6.186 -4.634 -0.779 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.769 -4.303 -1.289 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.899 -5.548 -1.793 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.147 -5.523 -1.990 1.00 0.00 C ATOM 0 H ILE A 36 5.542 -3.438 1.305 1.00 0.00 H new ATOM 0 HA ILE A 36 5.350 -6.135 0.496 1.00 0.00 H new ATOM 0 HB ILE A 36 6.762 -3.716 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.139 -3.996 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.813 -3.462 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.965 -5.041 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.902 -5.777 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.335 -6.473 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.147 -5.269 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.769 -5.812 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.084 -6.354 -1.287 1.00 0.00 H new ATOM 541 N ARG A 37 8.288 -5.103 1.558 1.00 0.00 N ATOM 542 CA ARG A 37 9.597 -5.562 1.995 1.00 0.00 C ATOM 543 C ARG A 37 9.462 -6.714 2.983 1.00 0.00 C ATOM 544 O ARG A 37 10.214 -7.686 2.925 1.00 0.00 O ATOM 545 CB ARG A 37 10.353 -4.407 2.652 1.00 0.00 C ATOM 546 CG ARG A 37 11.733 -4.894 3.090 1.00 0.00 C ATOM 547 CD ARG A 37 12.558 -3.713 3.592 1.00 0.00 C ATOM 548 NE ARG A 37 13.921 -4.138 3.886 1.00 0.00 N ATOM 549 CZ ARG A 37 14.833 -3.263 4.291 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.514 -2.006 4.422 1.00 0.00 N ATOM 551 NH2 ARG A 37 16.048 -3.661 4.557 1.00 0.00 N ATOM 0 H ARG A 37 8.106 -4.114 1.729 1.00 0.00 H new ATOM 0 HA ARG A 37 10.150 -5.915 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.452 -3.577 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.796 -4.034 3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.633 -5.641 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.241 -5.377 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.570 -2.923 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.099 -3.294 4.488 1.00 0.00 H new ATOM 0 HE ARG A 37 14.177 -5.120 3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.565 -1.696 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.214 -1.332 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.297 -4.645 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.748 -2.988 4.868 1.00 0.00 H new ATOM 565 N SER A 38 8.496 -6.602 3.878 1.00 0.00 N ATOM 566 CA SER A 38 8.261 -7.647 4.866 1.00 0.00 C ATOM 567 C SER A 38 7.741 -8.919 4.204 1.00 0.00 C ATOM 568 O SER A 38 8.066 -10.027 4.629 1.00 0.00 O ATOM 569 CB SER A 38 7.241 -7.174 5.900 1.00 0.00 C ATOM 570 OG SER A 38 7.829 -6.171 6.712 1.00 0.00 O ATOM 0 H SER A 38 7.864 -5.804 3.943 1.00 0.00 H new ATOM 0 HA SER A 38 9.211 -7.863 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.355 -6.781 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.915 -8.012 6.516 1.00 0.00 H new ATOM 0 HG SER A 38 7.833 -5.319 6.228 1.00 0.00 H new ATOM 576 N LEU A 39 6.903 -8.758 3.184 1.00 0.00 N ATOM 577 CA LEU A 39 6.319 -9.906 2.506 1.00 0.00 C ATOM 578 C LEU A 39 7.347 -10.673 1.670 1.00 0.00 C ATOM 579 O LEU A 39 6.975 -11.340 0.710 1.00 0.00 O ATOM 580 CB LEU A 39 5.176 -9.446 1.598 1.00 0.00 C ATOM 581 CG LEU A 39 4.036 -8.848 2.439 1.00 0.00 C ATOM 582 CD1 LEU A 39 3.010 -8.172 1.517 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.335 -9.957 3.253 1.00 0.00 C ATOM 0 H LEU A 39 6.616 -7.852 2.813 1.00 0.00 H new ATOM 0 HA LEU A 39 5.946 -10.580 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.542 -8.704 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.804 -10.288 1.015 1.00 0.00 H new ATOM 0 HG LEU A 39 4.456 -8.111 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.204 -7.750 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.497 -7.377 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.600 -8.909 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.530 -9.521 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.923 -10.702 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.057 -10.432 3.918 1.00 0.00 H new ATOM 595 N ASP A 40 8.623 -10.576 2.043 1.00 0.00 N ATOM 596 CA ASP A 40 9.703 -11.280 1.327 1.00 0.00 C ATOM 597 C ASP A 40 9.840 -10.797 -0.118 1.00 0.00 C ATOM 598 O ASP A 40 10.408 -11.499 -0.957 1.00 0.00 O ATOM 599 CB ASP A 40 9.454 -12.800 1.309 1.00 0.00 C ATOM 600 CG ASP A 40 9.628 -13.399 2.701 1.00 0.00 C ATOM 601 OD1 ASP A 40 10.089 -12.693 3.581 1.00 0.00 O ATOM 602 OD2 ASP A 40 9.296 -14.564 2.862 1.00 0.00 O ATOM 0 H ASP A 40 8.941 -10.018 2.836 1.00 0.00 H new ATOM 0 HA ASP A 40 10.624 -11.058 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.447 -13.003 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.146 -13.277 0.615 1.00 0.00 H new ATOM 607 N GLN A 41 9.332 -9.607 -0.414 1.00 0.00 N ATOM 608 CA GLN A 41 9.422 -9.063 -1.775 1.00 0.00 C ATOM 609 C GLN A 41 9.798 -7.594 -1.720 1.00 0.00 C ATOM 610 O GLN A 41 9.449 -6.905 -0.772 1.00 0.00 O ATOM 611 CB GLN A 41 8.076 -9.219 -2.491 1.00 0.00 C ATOM 612 CG GLN A 41 7.774 -10.702 -2.689 1.00 0.00 C ATOM 613 CD GLN A 41 6.390 -10.885 -3.304 1.00 0.00 C ATOM 614 OE1 GLN A 41 5.390 -10.470 -2.719 1.00 0.00 O ATOM 615 NE2 GLN A 41 6.271 -11.495 -4.454 1.00 0.00 N ATOM 0 H GLN A 41 8.858 -9.002 0.256 1.00 0.00 H new ATOM 0 HA GLN A 41 10.187 -9.612 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.284 -8.751 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.104 -8.711 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.528 -11.150 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.825 -11.221 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.101 -11.838 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.348 -11.628 -4.868 1.00 0.00 H new ATOM 624 N ASN A 42 10.525 -7.115 -2.730 1.00 0.00 N ATOM 625 CA ASN A 42 10.940 -5.717 -2.759 1.00 0.00 C ATOM 626 C ASN A 42 11.171 -5.248 -4.195 1.00 0.00 C ATOM 627 O ASN A 42 12.312 -5.162 -4.650 1.00 0.00 O ATOM 628 CB ASN A 42 12.228 -5.535 -1.951 1.00 0.00 C ATOM 629 CG ASN A 42 12.500 -4.048 -1.737 1.00 0.00 C ATOM 630 OD1 ASN A 42 11.626 -3.320 -1.268 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.665 -3.554 -2.054 1.00 0.00 N ATOM 0 H ASN A 42 10.834 -7.669 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 42 10.144 -5.118 -2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.139 -6.040 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.065 -5.995 -2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.854 -2.562 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.387 -4.160 -2.443 1.00 0.00 H new ATOM 638 N PRO A 43 10.117 -4.927 -4.907 1.00 0.00 N ATOM 639 CA PRO A 43 10.214 -4.433 -6.315 1.00 0.00 C ATOM 640 C PRO A 43 11.011 -3.134 -6.388 1.00 0.00 C ATOM 641 O PRO A 43 11.313 -2.529 -5.360 1.00 0.00 O ATOM 642 CB PRO A 43 8.745 -4.215 -6.740 1.00 0.00 C ATOM 643 CG PRO A 43 7.931 -5.015 -5.768 1.00 0.00 C ATOM 644 CD PRO A 43 8.721 -5.010 -4.459 1.00 0.00 C ATOM 0 HA PRO A 43 10.735 -5.132 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.477 -3.159 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.577 -4.550 -7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.943 -4.575 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.779 -6.032 -6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.450 -4.163 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.539 -5.913 -3.876 1.00 0.00 H new ATOM 652 N THR A 44 11.346 -2.697 -7.601 1.00 0.00 N ATOM 653 CA THR A 44 12.093 -1.461 -7.774 1.00 0.00 C ATOM 654 C THR A 44 11.129 -0.294 -7.948 1.00 0.00 C ATOM 655 O THR A 44 9.942 -0.493 -8.202 1.00 0.00 O ATOM 656 CB THR A 44 12.994 -1.572 -9.008 1.00 0.00 C ATOM 657 OG1 THR A 44 12.221 -2.021 -10.113 1.00 0.00 O ATOM 658 CG2 THR A 44 14.120 -2.573 -8.737 1.00 0.00 C ATOM 0 H THR A 44 11.113 -3.179 -8.469 1.00 0.00 H new ATOM 0 HA THR A 44 12.708 -1.289 -6.891 1.00 0.00 H new ATOM 0 HB THR A 44 13.425 -0.596 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.793 -2.092 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.759 -2.649 -9.617 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.712 -2.233 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.692 -3.550 -8.514 1.00 0.00 H new ATOM 666 N GLU A 45 11.647 0.923 -7.810 1.00 0.00 N ATOM 667 CA GLU A 45 10.812 2.114 -7.955 1.00 0.00 C ATOM 668 C GLU A 45 9.865 1.944 -9.143 1.00 0.00 C ATOM 669 O GLU A 45 8.673 2.235 -9.049 1.00 0.00 O ATOM 670 CB GLU A 45 11.677 3.361 -8.157 1.00 0.00 C ATOM 671 CG GLU A 45 12.502 3.617 -6.896 1.00 0.00 C ATOM 672 CD GLU A 45 11.590 4.013 -5.741 1.00 0.00 C ATOM 673 OE1 GLU A 45 10.475 4.429 -6.011 1.00 0.00 O ATOM 674 OE2 GLU A 45 12.017 3.897 -4.605 1.00 0.00 O ATOM 0 H GLU A 45 12.627 1.111 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 45 10.230 2.240 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.336 3.225 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.046 4.223 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.065 2.722 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.229 4.408 -7.083 1.00 0.00 H new ATOM 681 N GLU A 46 10.411 1.486 -10.263 1.00 0.00 N ATOM 682 CA GLU A 46 9.619 1.291 -11.471 1.00 0.00 C ATOM 683 C GLU A 46 8.443 0.354 -11.204 1.00 0.00 C ATOM 684 O GLU A 46 7.284 0.751 -11.326 1.00 0.00 O ATOM 685 CB GLU A 46 10.509 0.705 -12.595 1.00 0.00 C ATOM 686 CG GLU A 46 11.986 0.979 -12.297 1.00 0.00 C ATOM 687 CD GLU A 46 12.190 2.460 -11.991 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.437 3.263 -12.517 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.092 2.768 -11.231 1.00 0.00 O ATOM 0 H GLU A 46 11.397 1.243 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 46 9.227 2.258 -11.784 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.341 -0.369 -12.680 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.236 1.147 -13.553 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.313 0.376 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.598 0.688 -13.151 1.00 0.00 H new ATOM 696 N GLU A 47 8.747 -0.891 -10.842 1.00 0.00 N ATOM 697 CA GLU A 47 7.697 -1.858 -10.572 1.00 0.00 C ATOM 698 C GLU A 47 6.828 -1.377 -9.417 1.00 0.00 C ATOM 699 O GLU A 47 5.600 -1.429 -9.494 1.00 0.00 O ATOM 700 CB GLU A 47 8.314 -3.220 -10.245 1.00 0.00 C ATOM 701 CG GLU A 47 8.942 -3.815 -11.509 1.00 0.00 C ATOM 702 CD GLU A 47 9.666 -5.112 -11.169 1.00 0.00 C ATOM 703 OE1 GLU A 47 9.725 -5.442 -9.996 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.157 -5.753 -12.083 1.00 0.00 O ATOM 0 H GLU A 47 9.697 -1.245 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 47 7.071 -1.961 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.070 -3.111 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.550 -3.893 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.170 -4.004 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.641 -3.103 -11.948 1.00 0.00 H new ATOM 711 N LEU A 48 7.464 -0.907 -8.351 1.00 0.00 N ATOM 712 CA LEU A 48 6.720 -0.423 -7.198 1.00 0.00 C ATOM 713 C LEU A 48 5.841 0.758 -7.610 1.00 0.00 C ATOM 714 O LEU A 48 4.671 0.835 -7.237 1.00 0.00 O ATOM 715 CB LEU A 48 7.697 -0.005 -6.089 1.00 0.00 C ATOM 716 CG LEU A 48 6.928 0.393 -4.822 1.00 0.00 C ATOM 717 CD1 LEU A 48 6.223 -0.835 -4.224 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.914 0.969 -3.801 1.00 0.00 C ATOM 0 H LEU A 48 8.479 -0.851 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 48 6.080 -1.219 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.378 -0.827 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.308 0.831 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 48 6.176 1.141 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.680 -0.541 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.523 -1.244 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.965 -1.592 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.376 1.255 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.664 0.217 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.405 1.846 -4.224 1.00 0.00 H new ATOM 730 N GLN A 49 6.407 1.663 -8.395 1.00 0.00 N ATOM 731 CA GLN A 49 5.651 2.816 -8.863 1.00 0.00 C ATOM 732 C GLN A 49 4.623 2.386 -9.909 1.00 0.00 C ATOM 733 O GLN A 49 3.482 2.846 -9.890 1.00 0.00 O ATOM 734 CB GLN A 49 6.600 3.863 -9.456 1.00 0.00 C ATOM 735 CG GLN A 49 5.802 5.101 -9.870 1.00 0.00 C ATOM 736 CD GLN A 49 6.738 6.160 -10.441 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.598 5.851 -11.265 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.624 7.398 -10.047 1.00 0.00 N ATOM 0 H GLN A 49 7.374 1.624 -8.718 1.00 0.00 H new ATOM 0 HA GLN A 49 5.125 3.256 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.360 4.136 -8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.122 3.449 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.052 4.828 -10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.267 5.503 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.910 7.652 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.248 8.112 -10.422 1.00 0.00 H new ATOM 747 N ASP A 50 5.031 1.509 -10.822 1.00 0.00 N ATOM 748 CA ASP A 50 4.128 1.040 -11.869 1.00 0.00 C ATOM 749 C ASP A 50 2.943 0.294 -11.262 1.00 0.00 C ATOM 750 O ASP A 50 1.814 0.415 -11.740 1.00 0.00 O ATOM 751 CB ASP A 50 4.876 0.121 -12.839 1.00 0.00 C ATOM 752 CG ASP A 50 3.936 -0.345 -13.946 1.00 0.00 C ATOM 753 OD1 ASP A 50 3.433 0.503 -14.664 1.00 0.00 O ATOM 754 OD2 ASP A 50 3.735 -1.543 -14.061 1.00 0.00 O ATOM 0 H ASP A 50 5.970 1.112 -10.859 1.00 0.00 H new ATOM 0 HA ASP A 50 3.755 1.908 -12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.726 0.649 -13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.275 -0.740 -12.303 1.00 0.00 H new ATOM 759 N MET A 51 3.198 -0.456 -10.193 1.00 0.00 N ATOM 760 CA MET A 51 2.123 -1.185 -9.526 1.00 0.00 C ATOM 761 C MET A 51 1.184 -0.200 -8.838 1.00 0.00 C ATOM 762 O MET A 51 -0.036 -0.308 -8.954 1.00 0.00 O ATOM 763 CB MET A 51 2.698 -2.174 -8.504 1.00 0.00 C ATOM 764 CG MET A 51 3.244 -3.410 -9.226 1.00 0.00 C ATOM 765 SD MET A 51 1.863 -4.371 -9.913 1.00 0.00 S ATOM 766 CE MET A 51 2.397 -4.385 -11.644 1.00 0.00 C ATOM 0 H MET A 51 4.121 -0.574 -9.776 1.00 0.00 H new ATOM 0 HA MET A 51 1.564 -1.750 -10.272 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.492 -1.697 -7.930 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.925 -2.468 -7.795 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.923 -3.108 -10.023 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.819 -4.024 -8.533 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.672 -4.936 -12.244 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.469 -3.361 -12.011 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.372 -4.867 -11.720 1.00 0.00 H new ATOM 776 N ILE A 52 1.760 0.776 -8.140 1.00 0.00 N ATOM 777 CA ILE A 52 0.954 1.786 -7.467 1.00 0.00 C ATOM 778 C ILE A 52 0.240 2.648 -8.498 1.00 0.00 C ATOM 779 O ILE A 52 -0.949 2.942 -8.363 1.00 0.00 O ATOM 780 CB ILE A 52 1.828 2.656 -6.557 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.301 1.818 -5.369 1.00 0.00 C ATOM 782 CG2 ILE A 52 1.016 3.849 -6.039 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.385 2.579 -4.612 1.00 0.00 C ATOM 0 H ILE A 52 2.768 0.887 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 52 0.211 1.285 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 52 2.685 3.022 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.463 1.601 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.689 0.860 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.643 4.463 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.669 4.446 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.158 3.487 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.724 1.983 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.226 2.773 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.981 3.525 -4.252 1.00 0.00 H new ATOM 795 N SER A 53 0.968 3.044 -9.537 1.00 0.00 N ATOM 796 CA SER A 53 0.386 3.863 -10.583 1.00 0.00 C ATOM 797 C SER A 53 -0.812 3.149 -11.193 1.00 0.00 C ATOM 798 O SER A 53 -1.818 3.776 -11.525 1.00 0.00 O ATOM 799 CB SER A 53 1.426 4.153 -11.666 1.00 0.00 C ATOM 800 OG SER A 53 2.457 4.968 -11.122 1.00 0.00 O ATOM 0 H SER A 53 1.952 2.812 -9.673 1.00 0.00 H new ATOM 0 HA SER A 53 0.057 4.807 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.845 3.220 -12.043 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.957 4.656 -12.511 1.00 0.00 H new ATOM 0 HG SER A 53 2.953 4.461 -10.446 1.00 0.00 H new ATOM 806 N GLU A 54 -0.696 1.835 -11.346 1.00 0.00 N ATOM 807 CA GLU A 54 -1.775 1.053 -11.930 1.00 0.00 C ATOM 808 C GLU A 54 -3.114 1.383 -11.269 1.00 0.00 C ATOM 809 O GLU A 54 -4.166 1.271 -11.899 1.00 0.00 O ATOM 810 CB GLU A 54 -1.476 -0.454 -11.778 1.00 0.00 C ATOM 811 CG GLU A 54 -2.169 -1.241 -12.898 1.00 0.00 C ATOM 812 CD GLU A 54 -3.684 -1.147 -12.739 1.00 0.00 C ATOM 813 OE1 GLU A 54 -4.139 -1.096 -11.607 1.00 0.00 O ATOM 814 OE2 GLU A 54 -4.367 -1.124 -13.749 1.00 0.00 O ATOM 0 H GLU A 54 0.126 1.295 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.843 1.306 -12.988 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.400 -0.625 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.823 -0.806 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.871 -0.846 -13.869 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.856 -2.285 -12.869 1.00 0.00 H new ATOM 821 N VAL A 55 -3.079 1.784 -9.995 1.00 0.00 N ATOM 822 CA VAL A 55 -4.309 2.118 -9.263 1.00 0.00 C ATOM 823 C VAL A 55 -4.348 3.588 -8.874 1.00 0.00 C ATOM 824 O VAL A 55 -5.429 4.149 -8.704 1.00 0.00 O ATOM 825 CB VAL A 55 -4.417 1.263 -8.002 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.172 1.453 -7.133 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.663 1.668 -7.206 1.00 0.00 C ATOM 0 H VAL A 55 -2.222 1.885 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.150 1.914 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.496 0.215 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.257 0.840 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.287 1.153 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.083 2.502 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.736 1.055 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.589 2.718 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.551 1.519 -7.820 1.00 0.00 H new ATOM 837 N ASP A 56 -3.184 4.207 -8.711 1.00 0.00 N ATOM 838 CA ASP A 56 -3.161 5.608 -8.326 1.00 0.00 C ATOM 839 C ASP A 56 -3.816 6.427 -9.430 1.00 0.00 C ATOM 840 O ASP A 56 -3.144 7.070 -10.235 1.00 0.00 O ATOM 841 CB ASP A 56 -1.718 6.078 -8.085 1.00 0.00 C ATOM 842 CG ASP A 56 -1.699 7.287 -7.150 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.709 7.966 -7.072 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.672 7.519 -6.534 1.00 0.00 O ATOM 0 H ASP A 56 -2.269 3.774 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.712 5.743 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.132 5.267 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.250 6.338 -9.035 1.00 0.00 H new ATOM 849 N ALA A 57 -5.140 6.375 -9.465 1.00 0.00 N ATOM 850 CA ALA A 57 -5.896 7.096 -10.477 1.00 0.00 C ATOM 851 C ALA A 57 -5.651 8.589 -10.355 1.00 0.00 C ATOM 852 O ALA A 57 -5.851 9.339 -11.310 1.00 0.00 O ATOM 853 CB ALA A 57 -7.393 6.816 -10.333 1.00 0.00 C ATOM 0 H ALA A 57 -5.710 5.843 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.561 6.753 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.941 7.364 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.576 5.748 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.730 7.136 -9.347 1.00 0.00 H new ATOM 859 N ASP A 58 -5.232 9.026 -9.167 1.00 0.00 N ATOM 860 CA ASP A 58 -4.980 10.446 -8.928 1.00 0.00 C ATOM 861 C ASP A 58 -3.488 10.773 -8.982 1.00 0.00 C ATOM 862 O ASP A 58 -3.112 11.919 -9.236 1.00 0.00 O ATOM 863 CB ASP A 58 -5.530 10.822 -7.555 1.00 0.00 C ATOM 864 CG ASP A 58 -5.001 9.852 -6.504 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.631 8.827 -6.298 1.00 0.00 O ATOM 866 OD2 ASP A 58 -3.973 10.147 -5.921 1.00 0.00 O ATOM 0 H ASP A 58 -5.061 8.423 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.476 11.018 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.238 11.841 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.620 10.797 -7.570 1.00 0.00 H new ATOM 871 N GLY A 59 -2.641 9.777 -8.746 1.00 0.00 N ATOM 872 CA GLY A 59 -1.197 10.002 -8.776 1.00 0.00 C ATOM 873 C GLY A 59 -0.745 10.871 -7.599 1.00 0.00 C ATOM 874 O GLY A 59 0.168 11.683 -7.739 1.00 0.00 O ATOM 0 H GLY A 59 -2.921 8.819 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.677 9.045 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.921 10.484 -9.714 1.00 0.00 H new ATOM 878 N ASN A 60 -1.391 10.706 -6.444 1.00 0.00 N ATOM 879 CA ASN A 60 -1.031 11.500 -5.268 1.00 0.00 C ATOM 880 C ASN A 60 0.253 10.993 -4.619 1.00 0.00 C ATOM 881 O ASN A 60 0.877 11.706 -3.835 1.00 0.00 O ATOM 882 CB ASN A 60 -2.153 11.457 -4.231 1.00 0.00 C ATOM 883 CG ASN A 60 -2.413 10.017 -3.816 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.681 9.111 -4.217 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.418 9.742 -3.034 1.00 0.00 N ATOM 0 H ASN A 60 -2.152 10.043 -6.298 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.874 12.523 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.879 12.053 -3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.061 11.896 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.598 8.778 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.025 10.491 -2.701 1.00 0.00 H new ATOM 892 N GLY A 61 0.648 9.760 -4.935 1.00 0.00 N ATOM 893 CA GLY A 61 1.862 9.182 -4.354 1.00 0.00 C ATOM 894 C GLY A 61 1.531 8.361 -3.109 1.00 0.00 C ATOM 895 O GLY A 61 2.423 7.921 -2.386 1.00 0.00 O ATOM 0 H GLY A 61 0.152 9.147 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.357 8.550 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.561 9.977 -4.095 1.00 0.00 H new ATOM 899 N THR A 62 0.238 8.157 -2.874 1.00 0.00 N ATOM 900 CA THR A 62 -0.233 7.382 -1.726 1.00 0.00 C ATOM 901 C THR A 62 -1.407 6.500 -2.138 1.00 0.00 C ATOM 902 O THR A 62 -2.034 6.735 -3.172 1.00 0.00 O ATOM 903 CB THR A 62 -0.679 8.325 -0.602 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.815 9.065 -1.032 1.00 0.00 O ATOM 905 CG2 THR A 62 0.456 9.288 -0.252 1.00 0.00 C ATOM 0 H THR A 62 -0.508 8.520 -3.467 1.00 0.00 H new ATOM 0 HA THR A 62 0.585 6.755 -1.370 1.00 0.00 H new ATOM 0 HB THR A 62 -0.936 7.739 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.103 9.668 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.133 9.956 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.326 8.720 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.719 9.876 -1.132 1.00 0.00 H new ATOM 913 N ILE A 63 -1.711 5.490 -1.322 1.00 0.00 N ATOM 914 CA ILE A 63 -2.826 4.580 -1.606 1.00 0.00 C ATOM 915 C ILE A 63 -3.893 4.721 -0.523 1.00 0.00 C ATOM 916 O ILE A 63 -3.594 4.631 0.668 1.00 0.00 O ATOM 917 CB ILE A 63 -2.334 3.129 -1.633 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.040 3.033 -2.446 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.395 2.235 -2.285 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.558 1.575 -2.478 1.00 0.00 C ATOM 0 H ILE A 63 -1.204 5.280 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.246 4.837 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.151 2.801 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.209 3.393 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.274 3.670 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.041 1.204 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.321 2.292 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.579 2.573 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.363 1.509 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.372 1.231 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.322 0.949 -2.939 1.00 0.00 H new ATOM 932 N GLU A 64 -5.139 4.950 -0.941 1.00 0.00 N ATOM 933 CA GLU A 64 -6.246 5.102 0.004 1.00 0.00 C ATOM 934 C GLU A 64 -7.019 3.795 0.132 1.00 0.00 C ATOM 935 O GLU A 64 -6.767 2.843 -0.606 1.00 0.00 O ATOM 936 CB GLU A 64 -7.182 6.222 -0.464 1.00 0.00 C ATOM 937 CG GLU A 64 -6.515 7.592 -0.253 1.00 0.00 C ATOM 938 CD GLU A 64 -5.529 7.876 -1.378 1.00 0.00 C ATOM 939 OE1 GLU A 64 -5.330 7.000 -2.203 1.00 0.00 O ATOM 940 OE2 GLU A 64 -4.988 8.967 -1.398 1.00 0.00 O ATOM 0 H GLU A 64 -5.406 5.034 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.839 5.362 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.426 6.086 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.120 6.177 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.275 8.373 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.998 7.609 0.706 1.00 0.00 H new ATOM 947 N PHE A 65 -7.940 3.743 1.089 1.00 0.00 N ATOM 948 CA PHE A 65 -8.713 2.525 1.309 1.00 0.00 C ATOM 949 C PHE A 65 -9.425 2.109 0.025 1.00 0.00 C ATOM 950 O PHE A 65 -9.310 0.963 -0.405 1.00 0.00 O ATOM 951 CB PHE A 65 -9.735 2.739 2.430 1.00 0.00 C ATOM 952 CG PHE A 65 -10.657 1.538 2.525 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.150 0.296 2.926 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.017 1.669 2.211 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.001 -0.813 3.014 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.866 0.560 2.300 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.359 -0.682 2.701 1.00 0.00 C ATOM 0 H PHE A 65 -8.167 4.516 1.715 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.029 1.730 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.220 2.889 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.317 3.640 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.102 0.193 3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.410 2.626 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.609 -1.770 3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.914 0.662 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.015 -1.538 2.769 1.00 0.00 H new ATOM 967 N ASP A 66 -10.167 3.031 -0.584 1.00 0.00 N ATOM 968 CA ASP A 66 -10.884 2.709 -1.810 1.00 0.00 C ATOM 969 C ASP A 66 -9.918 2.201 -2.869 1.00 0.00 C ATOM 970 O ASP A 66 -10.201 1.223 -3.561 1.00 0.00 O ATOM 971 CB ASP A 66 -11.610 3.954 -2.330 1.00 0.00 C ATOM 972 CG ASP A 66 -10.625 5.109 -2.483 1.00 0.00 C ATOM 973 OD1 ASP A 66 -9.528 5.001 -1.959 1.00 0.00 O ATOM 974 OD2 ASP A 66 -10.982 6.085 -3.121 1.00 0.00 O ATOM 0 H ASP A 66 -10.285 3.989 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.613 1.928 -1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.080 3.737 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.407 4.234 -1.641 1.00 0.00 H new ATOM 979 N GLU A 67 -8.770 2.856 -2.975 1.00 0.00 N ATOM 980 CA GLU A 67 -7.766 2.443 -3.942 1.00 0.00 C ATOM 981 C GLU A 67 -7.227 1.062 -3.584 1.00 0.00 C ATOM 982 O GLU A 67 -7.076 0.200 -4.447 1.00 0.00 O ATOM 983 CB GLU A 67 -6.624 3.459 -3.969 1.00 0.00 C ATOM 984 CG GLU A 67 -7.108 4.750 -4.633 1.00 0.00 C ATOM 985 CD GLU A 67 -6.010 5.803 -4.585 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.930 5.482 -4.115 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.263 6.915 -5.020 1.00 0.00 O ATOM 0 H GLU A 67 -8.514 3.666 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.225 2.395 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.282 3.665 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.774 3.052 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.390 4.553 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.999 5.118 -4.125 1.00 0.00 H new ATOM 994 N PHE A 68 -6.950 0.859 -2.301 1.00 0.00 N ATOM 995 CA PHE A 68 -6.438 -0.425 -1.835 1.00 0.00 C ATOM 996 C PHE A 68 -7.495 -1.514 -1.997 1.00 0.00 C ATOM 997 O PHE A 68 -7.171 -2.671 -2.282 1.00 0.00 O ATOM 998 CB PHE A 68 -6.024 -0.328 -0.367 1.00 0.00 C ATOM 999 CG PHE A 68 -5.490 -1.669 0.091 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.199 -2.066 -0.278 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.279 -2.506 0.890 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.698 -3.302 0.148 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.774 -3.741 1.318 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.485 -4.138 0.947 1.00 0.00 C ATOM 0 H PHE A 68 -7.070 1.560 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.568 -0.684 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.262 0.442 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.877 -0.035 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.590 -1.419 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.275 -2.200 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.704 -3.610 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.381 -4.387 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.097 -5.090 1.278 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.765 -1.138 -1.832 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.858 -2.090 -1.979 1.00 0.00 C ATOM 1016 C LEU A 69 -9.969 -2.559 -3.426 1.00 0.00 C ATOM 1017 O LEU A 69 -10.142 -3.749 -3.694 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.180 -1.437 -1.518 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.388 -2.313 -1.903 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.227 -3.715 -1.306 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.681 -1.678 -1.381 1.00 0.00 C ATOM 0 H LEU A 69 -9.056 -0.189 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.656 -2.961 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.161 -1.291 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.281 -0.451 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.438 -2.388 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.084 -4.329 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.315 -4.172 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.167 -3.643 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.530 -2.303 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.632 -1.592 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.802 -0.687 -1.819 1.00 0.00 H new ATOM 1033 N SER A 70 -9.863 -1.620 -4.357 1.00 0.00 N ATOM 1034 CA SER A 70 -9.947 -1.960 -5.764 1.00 0.00 C ATOM 1035 C SER A 70 -8.687 -2.682 -6.206 1.00 0.00 C ATOM 1036 O SER A 70 -8.751 -3.688 -6.893 1.00 0.00 O ATOM 1037 CB SER A 70 -10.143 -0.702 -6.609 1.00 0.00 C ATOM 1038 OG SER A 70 -11.414 -0.136 -6.318 1.00 0.00 O ATOM 0 H SER A 70 -9.720 -0.629 -4.163 1.00 0.00 H new ATOM 0 HA SER A 70 -10.805 -2.617 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.354 0.019 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.075 -0.947 -7.669 1.00 0.00 H new ATOM 0 HG SER A 70 -11.543 0.672 -6.857 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.529 -2.161 -5.813 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.264 -2.771 -6.200 1.00 0.00 C ATOM 1046 C LEU A 71 -6.275 -4.268 -5.941 1.00 0.00 C ATOM 1047 O LEU A 71 -5.992 -5.069 -6.844 1.00 0.00 O ATOM 1048 CB LEU A 71 -5.117 -2.126 -5.400 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.777 -2.826 -5.698 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.500 -2.822 -7.207 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.649 -2.083 -4.973 1.00 0.00 C ATOM 0 H LEU A 71 -7.441 -1.327 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.118 -2.606 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.043 -1.068 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.334 -2.186 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.828 -3.858 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.550 -3.320 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.301 -3.350 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.452 -1.794 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.698 -2.574 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.609 -1.052 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.837 -2.095 -3.899 1.00 0.00 H new ATOM 1063 N MET A 72 -6.613 -4.657 -4.718 1.00 0.00 N ATOM 1064 CA MET A 72 -6.653 -6.072 -4.385 1.00 0.00 C ATOM 1065 C MET A 72 -7.787 -6.767 -5.129 1.00 0.00 C ATOM 1066 O MET A 72 -7.591 -7.823 -5.727 1.00 0.00 O ATOM 1067 CB MET A 72 -6.826 -6.244 -2.873 1.00 0.00 C ATOM 1068 CG MET A 72 -6.728 -7.740 -2.476 1.00 0.00 C ATOM 1069 SD MET A 72 -5.573 -7.936 -1.094 1.00 0.00 S ATOM 1070 CE MET A 72 -6.553 -7.059 0.147 1.00 0.00 C ATOM 0 H MET A 72 -6.859 -4.026 -3.955 1.00 0.00 H new ATOM 0 HA MET A 72 -5.713 -6.531 -4.691 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.061 -5.672 -2.347 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.792 -5.843 -2.565 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.712 -8.116 -2.195 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.392 -8.330 -3.329 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.053 -7.119 1.114 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.657 -6.014 -0.144 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.540 -7.515 0.220 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.965 -6.167 -5.098 1.00 0.00 N ATOM 1081 CA ALA A 73 -10.114 -6.738 -5.784 1.00 0.00 C ATOM 1082 C ALA A 73 -9.876 -6.784 -7.297 1.00 0.00 C ATOM 1083 O ALA A 73 -10.310 -7.714 -7.973 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.367 -5.911 -5.492 1.00 0.00 C ATOM 0 H ALA A 73 -9.151 -5.291 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.256 -7.755 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.220 -6.348 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.558 -5.907 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.217 -4.888 -5.838 1.00 0.00 H new ATOM 1090 N LYS A 74 -9.172 -5.780 -7.811 1.00 0.00 N ATOM 1091 CA LYS A 74 -8.876 -5.712 -9.239 1.00 0.00 C ATOM 1092 C LYS A 74 -8.010 -6.897 -9.654 1.00 0.00 C ATOM 1093 O LYS A 74 -8.151 -7.420 -10.761 1.00 0.00 O ATOM 1094 CB LYS A 74 -8.171 -4.385 -9.585 1.00 0.00 C ATOM 1095 CG LYS A 74 -9.204 -3.251 -9.735 1.00 0.00 C ATOM 1096 CD LYS A 74 -8.477 -1.907 -9.866 1.00 0.00 C ATOM 1097 CE LYS A 74 -7.527 -1.951 -11.071 1.00 0.00 C ATOM 1098 NZ LYS A 74 -6.229 -2.537 -10.639 1.00 0.00 N ATOM 0 H LYS A 74 -8.797 -5.005 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.816 -5.754 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.455 -4.132 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.607 -4.496 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.827 -3.426 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.868 -3.234 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.201 -1.101 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.916 -1.695 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.962 -2.548 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.374 -0.947 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.455 -1.889 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.239 -2.682 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.085 -3.450 -11.116 1.00 0.00 H new ATOM 1112 N LYS A 75 -7.105 -7.319 -8.772 1.00 0.00 N ATOM 1113 CA LYS A 75 -6.241 -8.452 -9.097 1.00 0.00 C ATOM 1114 C LYS A 75 -7.004 -9.761 -8.881 1.00 0.00 C ATOM 1115 O LYS A 75 -6.925 -10.686 -9.688 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.968 -8.421 -8.224 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.767 -8.924 -9.037 1.00 0.00 C ATOM 1118 CD LYS A 75 -4.022 -10.357 -9.516 1.00 0.00 C ATOM 1119 CE LYS A 75 -2.715 -10.966 -10.022 1.00 0.00 C ATOM 1120 NZ LYS A 75 -2.226 -10.188 -11.195 1.00 0.00 N ATOM 0 H LYS A 75 -6.953 -6.907 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.942 -8.384 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.782 -7.406 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.107 -9.044 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.597 -8.271 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.865 -8.891 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.424 -10.958 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.768 -10.359 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.967 -10.958 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.871 -12.008 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.459 -10.711 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.007 -10.045 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.870 -9.264 -10.875 1.00 0.00 H new ATOM 1134 N VAL A 76 -7.751 -9.823 -7.783 1.00 0.00 N ATOM 1135 CA VAL A 76 -8.532 -11.015 -7.467 1.00 0.00 C ATOM 1136 C VAL A 76 -9.981 -10.826 -7.907 1.00 0.00 C ATOM 1137 O VAL A 76 -10.886 -11.470 -7.386 1.00 0.00 O ATOM 1138 CB VAL A 76 -8.490 -11.299 -5.959 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -9.139 -12.674 -5.659 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -7.033 -11.306 -5.486 1.00 0.00 C ATOM 0 H VAL A 76 -7.832 -9.068 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.099 -11.860 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.045 -10.523 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.104 -12.866 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.176 -12.667 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.593 -13.457 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.999 -11.507 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.481 -12.081 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.581 -10.335 -5.687 1.00 0.00 H new ATOM 1150 N LYS A 77 -10.201 -9.935 -8.865 1.00 0.00 N ATOM 1151 CA LYS A 77 -11.553 -9.682 -9.341 1.00 0.00 C ATOM 1152 C LYS A 77 -12.195 -10.986 -9.801 1.00 0.00 C ATOM 1153 O LYS A 77 -13.393 -11.196 -9.617 1.00 0.00 O ATOM 1154 CB LYS A 77 -11.515 -8.684 -10.504 1.00 0.00 C ATOM 1155 CG LYS A 77 -12.937 -8.299 -10.928 1.00 0.00 C ATOM 1156 CD LYS A 77 -12.863 -7.259 -12.051 1.00 0.00 C ATOM 1157 CE LYS A 77 -14.275 -6.845 -12.471 1.00 0.00 C ATOM 1158 NZ LYS A 77 -14.187 -5.833 -13.562 1.00 0.00 N ATOM 0 H LYS A 77 -9.474 -9.384 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.144 -9.262 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.964 -7.792 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.983 -9.121 -11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.479 -9.181 -11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.486 -7.895 -10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.304 -6.386 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.326 -7.671 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.836 -7.716 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.814 -6.432 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.145 -5.549 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.667 -5.000 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.688 -6.243 -14.377 1.00 0.00 H new ATOM 1172 N ASP A 78 -11.396 -11.861 -10.399 1.00 0.00 N ATOM 1173 CA ASP A 78 -11.922 -13.129 -10.879 1.00 0.00 C ATOM 1174 C ASP A 78 -12.602 -13.895 -9.752 1.00 0.00 C ATOM 1175 O ASP A 78 -13.773 -14.256 -9.862 1.00 0.00 O ATOM 1176 CB ASP A 78 -10.793 -13.973 -11.467 1.00 0.00 C ATOM 1177 CG ASP A 78 -9.671 -14.125 -10.445 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -9.692 -13.408 -9.457 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -8.804 -14.954 -10.666 1.00 0.00 O ATOM 0 H ASP A 78 -10.399 -11.719 -10.561 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.661 -12.922 -11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.172 -14.954 -11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.410 -13.503 -12.373 1.00 0.00 H new ATOM 1184 N THR A 79 -11.875 -14.138 -8.665 1.00 0.00 N ATOM 1185 CA THR A 79 -12.435 -14.862 -7.520 1.00 0.00 C ATOM 1186 C THR A 79 -12.669 -13.908 -6.353 1.00 0.00 C ATOM 1187 O THR A 79 -12.156 -14.176 -5.279 1.00 0.00 O ATOM 1188 CB THR A 79 -11.481 -15.982 -7.092 1.00 0.00 C ATOM 1189 OG1 THR A 79 -10.274 -15.417 -6.605 1.00 0.00 O ATOM 1190 CG2 THR A 79 -11.173 -16.888 -8.290 1.00 0.00 C ATOM 1191 OXT THR A 79 -13.358 -12.920 -6.551 1.00 0.00 O ATOM 0 H THR A 79 -10.904 -13.848 -8.550 1.00 0.00 H new ATOM 0 HA THR A 79 -13.390 -15.298 -7.815 1.00 0.00 H new ATOM 0 HB THR A 79 -11.951 -16.572 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.457 -14.911 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.494 -17.683 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.099 -17.326 -8.662 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.706 -16.300 -9.080 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 0.240 5.318 6.958 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.879 7.693 -4.803 1.00 0.00 CA