USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 37 TYR OH : rot 30:sc= 1.04 USER MOD Set 1.2: A 50 SER OG : rot 71:sc= 1.44 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0208) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 23 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.38 K(o=-0.38,f=-3.3!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= 0.639 F(o=-5!,f=0.64) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.585 F(o=-6.2!,f=-0.58) USER MOD Single : A 52 TYR OH : rot -49:sc= -0.623 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.882 -10.043 -4.255 1.00 0.00 N ATOM 2 CA MET A 1 -4.844 -10.316 -3.222 1.00 0.00 C ATOM 3 C MET A 1 -4.346 -9.025 -2.584 1.00 0.00 C ATOM 4 O MET A 1 -3.818 -8.157 -3.278 1.00 0.00 O ATOM 5 CB MET A 1 -3.674 -11.058 -3.871 1.00 0.00 C ATOM 6 CG MET A 1 -2.727 -11.684 -2.863 1.00 0.00 C ATOM 7 SD MET A 1 -1.418 -10.560 -2.349 1.00 0.00 S ATOM 8 CE MET A 1 -0.135 -10.977 -3.526 1.00 0.00 C ATOM 0 H1 MET A 1 -6.202 -10.941 -4.672 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.690 -9.558 -3.815 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.480 -9.439 -5.000 1.00 0.00 H new ATOM 0 HA MET A 1 -5.287 -10.929 -2.437 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.065 -11.838 -4.525 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.117 -10.364 -4.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.293 -12.001 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.282 -12.580 -3.296 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.745 -10.363 -3.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.127 -12.030 -3.420 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.496 -10.793 -4.538 1.00 0.00 H new ATOM 20 N GLU A 2 -4.522 -8.884 -1.277 1.00 0.00 N ATOM 21 CA GLU A 2 -4.124 -7.640 -0.625 1.00 0.00 C ATOM 22 C GLU A 2 -2.799 -7.697 0.116 1.00 0.00 C ATOM 23 O GLU A 2 -2.153 -8.736 0.246 1.00 0.00 O ATOM 24 CB GLU A 2 -5.212 -7.175 0.344 1.00 0.00 C ATOM 25 CG GLU A 2 -5.633 -8.232 1.357 1.00 0.00 C ATOM 26 CD GLU A 2 -7.138 -8.398 1.432 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.830 -7.393 1.693 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.625 -9.532 1.232 1.00 0.00 O ATOM 0 H GLU A 2 -4.925 -9.591 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.989 -6.931 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.855 -6.295 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.087 -6.867 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.178 -9.186 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.251 -7.960 2.341 1.00 0.00 H new ATOM 35 N ALA A 3 -2.442 -6.509 0.590 1.00 0.00 N ATOM 36 CA ALA A 3 -1.230 -6.240 1.334 1.00 0.00 C ATOM 37 C ALA A 3 -1.566 -5.286 2.470 1.00 0.00 C ATOM 38 O ALA A 3 -2.420 -4.415 2.303 1.00 0.00 O ATOM 39 CB ALA A 3 -0.203 -5.618 0.412 1.00 0.00 C ATOM 0 H ALA A 3 -3.017 -5.677 0.458 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.818 -7.163 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.711 -5.414 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.016 -6.305 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.596 -4.686 0.006 1.00 0.00 H new ATOM 45 N ILE A 4 -0.888 -5.394 3.600 1.00 0.00 N ATOM 46 CA ILE A 4 -1.161 -4.497 4.715 1.00 0.00 C ATOM 47 C ILE A 4 -0.064 -3.452 4.878 1.00 0.00 C ATOM 48 O ILE A 4 1.094 -3.711 4.556 1.00 0.00 O ATOM 49 CB ILE A 4 -1.324 -5.308 6.018 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.739 -4.405 7.173 1.00 0.00 C ATOM 51 CG2 ILE A 4 -0.045 -6.055 6.355 1.00 0.00 C ATOM 52 CD1 ILE A 4 -3.227 -4.165 7.222 1.00 0.00 C ATOM 0 H ILE A 4 -0.155 -6.082 3.771 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.090 -3.969 4.500 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.115 -6.041 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.417 -4.854 8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.224 -3.448 7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.185 -6.619 7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.200 -6.741 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.769 -5.342 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.463 -3.515 8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.550 -3.690 6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.745 -5.116 7.341 1.00 0.00 H new ATOM 64 N ALA A 5 -0.419 -2.304 5.452 1.00 0.00 N ATOM 65 CA ALA A 5 0.554 -1.245 5.694 1.00 0.00 C ATOM 66 C ALA A 5 0.178 -0.447 6.919 1.00 0.00 C ATOM 67 O ALA A 5 -0.732 0.379 6.842 1.00 0.00 O ATOM 68 CB ALA A 5 0.633 -0.325 4.499 1.00 0.00 C ATOM 0 H ALA A 5 -1.368 -2.086 5.756 1.00 0.00 H new ATOM 0 HA ALA A 5 1.527 -1.709 5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.363 0.461 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.937 -0.894 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.344 0.123 4.320 1.00 0.00 H new ATOM 74 N LYS A 6 0.862 -0.630 8.041 1.00 0.00 N ATOM 75 CA LYS A 6 0.475 0.147 9.211 1.00 0.00 C ATOM 76 C LYS A 6 1.440 1.271 9.562 1.00 0.00 C ATOM 77 O LYS A 6 2.404 1.067 10.299 1.00 0.00 O ATOM 78 CB LYS A 6 0.377 -0.813 10.392 1.00 0.00 C ATOM 79 CG LYS A 6 1.671 -1.582 10.645 1.00 0.00 C ATOM 80 CD LYS A 6 2.256 -1.269 12.013 1.00 0.00 C ATOM 81 CE LYS A 6 2.949 -2.484 12.616 1.00 0.00 C ATOM 82 NZ LYS A 6 4.077 -2.962 11.768 1.00 0.00 N ATOM 0 H LYS A 6 1.645 -1.272 8.166 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.475 0.630 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.113 -0.252 11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.431 -1.522 10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.479 -2.652 10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.399 -1.333 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.968 -0.449 11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.463 -0.933 12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.323 -2.232 13.608 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.225 -3.289 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.574 -3.735 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.707 -3.306 10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.739 -2.179 11.598 1.00 0.00 H new ATOM 96 N HIS A 7 1.095 2.478 9.125 1.00 0.00 N ATOM 97 CA HIS A 7 1.799 3.710 9.461 1.00 0.00 C ATOM 98 C HIS A 7 0.836 4.827 9.040 1.00 0.00 C ATOM 99 O HIS A 7 0.254 4.716 7.958 1.00 0.00 O ATOM 100 CB HIS A 7 3.150 3.822 8.755 1.00 0.00 C ATOM 101 CG HIS A 7 4.121 4.699 9.468 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.652 4.387 10.701 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.663 5.883 9.112 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.481 5.346 11.073 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.504 6.264 10.123 1.00 0.00 N ATOM 0 H HIS A 7 0.295 2.630 8.510 1.00 0.00 H new ATOM 0 HA HIS A 7 2.048 3.757 10.521 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.580 2.826 8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.994 4.209 7.748 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.469 6.428 8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.043 5.375 11.995 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.059 7.119 10.140 1.00 0.00 H new ATOM 114 N ASP A 8 0.683 5.919 9.774 1.00 0.00 N ATOM 115 CA ASP A 8 -0.198 6.976 9.278 1.00 0.00 C ATOM 116 C ASP A 8 0.410 7.569 8.004 1.00 0.00 C ATOM 117 O ASP A 8 1.631 7.570 7.840 1.00 0.00 O ATOM 118 CB ASP A 8 -0.414 8.099 10.292 1.00 0.00 C ATOM 119 CG ASP A 8 -1.768 8.762 10.146 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.682 8.128 9.578 1.00 0.00 O ATOM 121 OD2 ASP A 8 -1.917 9.915 10.603 1.00 0.00 O ATOM 0 H ASP A 8 1.131 6.097 10.673 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.171 6.523 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.317 7.697 11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.368 8.848 10.171 1.00 0.00 H new ATOM 126 N PHE A 9 -0.427 8.153 7.149 1.00 0.00 N ATOM 127 CA PHE A 9 0.082 8.816 5.951 1.00 0.00 C ATOM 128 C PHE A 9 -0.968 9.743 5.365 1.00 0.00 C ATOM 129 O PHE A 9 -1.999 9.313 4.853 1.00 0.00 O ATOM 130 CB PHE A 9 0.540 7.802 4.902 1.00 0.00 C ATOM 131 CG PHE A 9 2.030 7.790 4.712 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.652 8.760 3.943 1.00 0.00 C ATOM 133 CD2 PHE A 9 2.806 6.817 5.316 1.00 0.00 C ATOM 134 CE1 PHE A 9 4.026 8.757 3.780 1.00 0.00 C ATOM 135 CE2 PHE A 9 4.177 6.808 5.157 1.00 0.00 C ATOM 136 CZ PHE A 9 4.789 7.779 4.388 1.00 0.00 C ATOM 0 H PHE A 9 -1.441 8.181 7.259 1.00 0.00 H new ATOM 0 HA PHE A 9 0.948 9.408 6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.208 6.807 5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.059 8.029 3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.059 9.526 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.334 6.056 5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.501 9.518 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.771 6.042 5.634 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.862 7.773 4.262 1.00 0.00 H new ATOM 146 N SER A 10 -0.640 11.029 5.442 1.00 0.00 N ATOM 147 CA SER A 10 -1.526 12.036 4.871 1.00 0.00 C ATOM 148 C SER A 10 -1.017 12.452 3.490 1.00 0.00 C ATOM 149 O SER A 10 0.169 12.332 3.188 1.00 0.00 O ATOM 150 CB SER A 10 -1.666 13.313 5.712 1.00 0.00 C ATOM 151 OG SER A 10 -0.445 13.658 6.352 1.00 0.00 O ATOM 0 H SER A 10 0.207 11.391 5.880 1.00 0.00 H new ATOM 0 HA SER A 10 -2.506 11.560 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.987 14.136 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.443 13.171 6.463 1.00 0.00 H new ATOM 0 HG SER A 10 -0.571 14.476 6.877 1.00 0.00 H new ATOM 157 N ALA A 11 -1.933 12.932 2.660 1.00 0.00 N ATOM 158 CA ALA A 11 -1.582 13.338 1.302 1.00 0.00 C ATOM 159 C ALA A 11 -0.798 14.641 1.255 1.00 0.00 C ATOM 160 O ALA A 11 -1.158 15.629 1.896 1.00 0.00 O ATOM 161 CB ALA A 11 -2.829 13.447 0.440 1.00 0.00 C ATOM 0 H ALA A 11 -2.918 13.050 2.898 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.929 12.560 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.549 13.751 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.331 12.480 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.503 14.189 0.868 1.00 0.00 H new ATOM 167 N THR A 12 0.290 14.615 0.490 1.00 0.00 N ATOM 168 CA THR A 12 1.165 15.770 0.335 1.00 0.00 C ATOM 169 C THR A 12 1.184 16.252 -1.120 1.00 0.00 C ATOM 170 O THR A 12 1.667 17.350 -1.402 1.00 0.00 O ATOM 171 CB THR A 12 2.583 15.407 0.789 1.00 0.00 C ATOM 172 OG1 THR A 12 2.665 14.042 1.165 1.00 0.00 O ATOM 173 CG2 THR A 12 3.061 16.239 1.961 1.00 0.00 C ATOM 0 H THR A 12 0.588 13.795 -0.038 1.00 0.00 H new ATOM 0 HA THR A 12 0.783 16.581 0.955 1.00 0.00 H new ATOM 0 HB THR A 12 3.222 15.611 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.580 13.835 1.449 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.071 15.935 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.063 17.293 1.682 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.394 16.089 2.810 1.00 0.00 H new ATOM 181 N ALA A 13 0.656 15.451 -2.043 1.00 0.00 N ATOM 182 CA ALA A 13 0.613 15.862 -3.446 1.00 0.00 C ATOM 183 C ALA A 13 -0.166 14.888 -4.324 1.00 0.00 C ATOM 184 O ALA A 13 -0.535 13.790 -3.902 1.00 0.00 O ATOM 185 CB ALA A 13 1.999 16.051 -4.046 1.00 0.00 C ATOM 0 H ALA A 13 0.259 14.531 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 13 0.095 16.821 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.906 16.356 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.535 16.820 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.551 15.113 -3.990 1.00 0.00 H new ATOM 191 N ASP A 14 -0.330 15.283 -5.589 1.00 0.00 N ATOM 192 CA ASP A 14 -0.977 14.464 -6.614 1.00 0.00 C ATOM 193 C ASP A 14 -0.040 13.346 -7.079 1.00 0.00 C ATOM 194 O ASP A 14 0.057 13.060 -8.274 1.00 0.00 O ATOM 195 CB ASP A 14 -1.355 15.322 -7.824 1.00 0.00 C ATOM 196 CG ASP A 14 -0.137 15.971 -8.461 1.00 0.00 C ATOM 197 OD1 ASP A 14 0.284 17.046 -7.982 1.00 0.00 O ATOM 198 OD2 ASP A 14 0.403 15.396 -9.429 1.00 0.00 O ATOM 0 H ASP A 14 -0.014 16.190 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.876 14.030 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.865 14.703 -8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.059 16.095 -7.515 1.00 0.00 H new ATOM 203 N ASP A 15 0.635 12.709 -6.132 1.00 0.00 N ATOM 204 CA ASP A 15 1.552 11.624 -6.464 1.00 0.00 C ATOM 205 C ASP A 15 1.708 10.651 -5.301 1.00 0.00 C ATOM 206 O ASP A 15 1.769 9.443 -5.516 1.00 0.00 O ATOM 207 CB ASP A 15 2.912 12.197 -6.882 1.00 0.00 C ATOM 208 CG ASP A 15 3.360 13.342 -5.995 1.00 0.00 C ATOM 209 OD1 ASP A 15 3.275 13.201 -4.758 1.00 0.00 O ATOM 210 OD2 ASP A 15 3.799 14.377 -6.539 1.00 0.00 O ATOM 0 H ASP A 15 0.567 12.921 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 15 1.132 11.066 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.660 11.405 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.855 12.543 -7.914 1.00 0.00 H new ATOM 215 N GLU A 16 1.759 11.150 -4.078 1.00 0.00 N ATOM 216 CA GLU A 16 1.897 10.274 -2.920 1.00 0.00 C ATOM 217 C GLU A 16 0.530 9.947 -2.319 1.00 0.00 C ATOM 218 O GLU A 16 -0.189 10.842 -1.874 1.00 0.00 O ATOM 219 CB GLU A 16 2.801 10.924 -1.870 1.00 0.00 C ATOM 220 CG GLU A 16 4.209 10.349 -1.843 1.00 0.00 C ATOM 221 CD GLU A 16 4.413 9.365 -0.709 1.00 0.00 C ATOM 222 OE1 GLU A 16 4.112 8.168 -0.898 1.00 0.00 O ATOM 223 OE2 GLU A 16 4.875 9.794 0.370 1.00 0.00 O ATOM 0 H GLU A 16 1.708 12.145 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 16 2.355 9.341 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.858 11.995 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.348 10.802 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.413 9.852 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.928 11.162 -1.748 1.00 0.00 H new ATOM 230 N LEU A 17 0.151 8.666 -2.358 1.00 0.00 N ATOM 231 CA LEU A 17 -1.147 8.246 -1.840 1.00 0.00 C ATOM 232 C LEU A 17 -1.096 8.152 -0.323 1.00 0.00 C ATOM 233 O LEU A 17 -0.280 7.422 0.237 1.00 0.00 O ATOM 234 CB LEU A 17 -1.530 6.860 -2.356 1.00 0.00 C ATOM 235 CG LEU A 17 -3.044 6.608 -2.414 1.00 0.00 C ATOM 236 CD1 LEU A 17 -3.672 7.356 -3.583 1.00 0.00 C ATOM 237 CD2 LEU A 17 -3.334 5.116 -2.503 1.00 0.00 C ATOM 0 H LEU A 17 0.721 7.911 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.877 8.985 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.112 6.728 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.071 6.106 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.491 6.987 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.745 7.163 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.498 8.426 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.223 7.015 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.412 4.957 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.873 4.709 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.925 4.613 -1.627 1.00 0.00 H new ATOM 249 N SER A 18 -2.014 8.835 0.331 1.00 0.00 N ATOM 250 CA SER A 18 -2.099 8.785 1.782 1.00 0.00 C ATOM 251 C SER A 18 -3.005 7.636 2.218 1.00 0.00 C ATOM 252 O SER A 18 -3.680 7.016 1.397 1.00 0.00 O ATOM 253 CB SER A 18 -2.608 10.126 2.318 1.00 0.00 C ATOM 254 OG SER A 18 -4.030 10.188 2.373 1.00 0.00 O ATOM 0 H SER A 18 -2.711 9.431 -0.115 1.00 0.00 H new ATOM 0 HA SER A 18 -1.107 8.605 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.202 10.293 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.237 10.931 1.684 1.00 0.00 H new ATOM 0 HG SER A 18 -4.306 11.061 2.722 1.00 0.00 H new ATOM 260 N PHE A 19 -2.998 7.353 3.518 1.00 0.00 N ATOM 261 CA PHE A 19 -3.838 6.273 4.033 1.00 0.00 C ATOM 262 C PHE A 19 -3.815 6.194 5.565 1.00 0.00 C ATOM 263 O PHE A 19 -3.213 7.026 6.259 1.00 0.00 O ATOM 264 CB PHE A 19 -3.398 4.934 3.432 1.00 0.00 C ATOM 265 CG PHE A 19 -4.469 3.888 3.355 1.00 0.00 C ATOM 266 CD1 PHE A 19 -5.573 4.060 2.540 1.00 0.00 C ATOM 267 CD2 PHE A 19 -4.365 2.726 4.101 1.00 0.00 C ATOM 268 CE1 PHE A 19 -6.556 3.094 2.471 1.00 0.00 C ATOM 269 CE2 PHE A 19 -5.342 1.761 4.037 1.00 0.00 C ATOM 270 CZ PHE A 19 -6.442 1.944 3.221 1.00 0.00 C ATOM 0 H PHE A 19 -2.438 7.840 4.218 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.864 6.491 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.014 5.113 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.571 4.542 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.667 4.960 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.507 2.576 4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.413 3.239 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.250 0.860 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.211 1.187 3.171 1.00 0.00 H new ATOM 280 N ARG A 20 -4.491 5.145 6.056 1.00 0.00 N ATOM 281 CA ARG A 20 -4.596 4.848 7.477 1.00 0.00 C ATOM 282 C ARG A 20 -3.839 3.555 7.786 1.00 0.00 C ATOM 283 O ARG A 20 -3.836 2.620 6.980 1.00 0.00 O ATOM 284 CB ARG A 20 -6.066 4.684 7.881 1.00 0.00 C ATOM 285 CG ARG A 20 -6.836 5.993 8.015 1.00 0.00 C ATOM 286 CD ARG A 20 -6.095 7.011 8.868 1.00 0.00 C ATOM 287 NE ARG A 20 -6.921 8.188 9.153 1.00 0.00 N ATOM 288 CZ ARG A 20 -6.869 9.325 8.458 1.00 0.00 C ATOM 289 NH1 ARG A 20 -6.010 9.468 7.456 1.00 0.00 N ATOM 290 NH2 ARG A 20 -7.685 10.326 8.767 1.00 0.00 N ATOM 0 H ARG A 20 -4.983 4.476 5.464 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.163 5.674 8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.565 4.058 7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.111 4.152 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.013 6.412 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.813 5.794 8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.789 6.546 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.185 7.321 8.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.577 8.134 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.381 8.704 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.979 10.342 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.349 10.224 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.647 11.197 8.237 1.00 0.00 H new ATOM 304 N LYS A 21 -3.245 3.474 8.963 1.00 0.00 N ATOM 305 CA LYS A 21 -2.542 2.266 9.375 1.00 0.00 C ATOM 306 C LYS A 21 -3.493 1.071 9.347 1.00 0.00 C ATOM 307 O LYS A 21 -4.656 1.188 9.719 1.00 0.00 O ATOM 308 CB LYS A 21 -1.991 2.424 10.797 1.00 0.00 C ATOM 309 CG LYS A 21 -3.048 2.745 11.850 1.00 0.00 C ATOM 310 CD LYS A 21 -3.473 4.209 11.801 1.00 0.00 C ATOM 311 CE LYS A 21 -4.079 4.670 13.115 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.965 5.854 12.928 1.00 0.00 N ATOM 0 H LYS A 21 -3.234 4.227 9.651 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.717 2.100 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.481 1.503 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.242 3.216 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.919 2.109 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.656 2.514 12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.609 4.829 11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.197 4.350 10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.650 3.854 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.282 4.919 13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.360 6.140 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.414 6.640 12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.740 5.609 12.279 1.00 0.00 H new ATOM 326 N THR A 22 -2.969 -0.076 8.915 1.00 0.00 N ATOM 327 CA THR A 22 -3.697 -1.341 8.861 1.00 0.00 C ATOM 328 C THR A 22 -4.985 -1.357 8.026 1.00 0.00 C ATOM 329 O THR A 22 -5.609 -2.410 7.919 1.00 0.00 O ATOM 330 CB THR A 22 -3.986 -1.819 10.291 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.201 -3.221 10.301 1.00 0.00 O ATOM 332 CG2 THR A 22 -5.199 -1.181 10.932 1.00 0.00 C ATOM 0 H THR A 22 -2.006 -0.152 8.586 1.00 0.00 H new ATOM 0 HA THR A 22 -3.034 -2.023 8.329 1.00 0.00 H new ATOM 0 HB THR A 22 -3.108 -1.526 10.866 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.383 -3.518 11.217 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.328 -1.576 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.059 -0.101 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.085 -1.405 10.338 1.00 0.00 H new ATOM 340 N GLN A 23 -5.408 -0.239 7.432 1.00 0.00 N ATOM 341 CA GLN A 23 -6.646 -0.250 6.639 1.00 0.00 C ATOM 342 C GLN A 23 -6.503 -1.002 5.291 1.00 0.00 C ATOM 343 O GLN A 23 -7.160 -0.651 4.313 1.00 0.00 O ATOM 344 CB GLN A 23 -7.203 1.171 6.452 1.00 0.00 C ATOM 345 CG GLN A 23 -8.636 1.349 6.919 1.00 0.00 C ATOM 346 CD GLN A 23 -8.800 2.516 7.872 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.960 3.662 7.446 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.764 2.226 9.169 1.00 0.00 N ATOM 0 H GLN A 23 -4.931 0.661 7.479 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.375 -0.819 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.567 1.871 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.142 1.436 5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.280 1.499 6.053 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.970 0.435 7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.629 1.262 9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.871 2.968 9.861 1.00 0.00 H new ATOM 357 N ILE A 24 -5.704 -2.075 5.279 1.00 0.00 N ATOM 358 CA ILE A 24 -5.514 -2.942 4.099 1.00 0.00 C ATOM 359 C ILE A 24 -5.411 -2.197 2.763 1.00 0.00 C ATOM 360 O ILE A 24 -6.325 -1.475 2.368 1.00 0.00 O ATOM 361 CB ILE A 24 -6.635 -4.012 3.967 1.00 0.00 C ATOM 362 CG1 ILE A 24 -7.816 -3.737 4.912 1.00 0.00 C ATOM 363 CG2 ILE A 24 -6.073 -5.405 4.209 1.00 0.00 C ATOM 364 CD1 ILE A 24 -7.529 -4.040 6.369 1.00 0.00 C ATOM 0 H ILE A 24 -5.165 -2.373 6.092 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.552 -3.416 4.292 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.017 -3.954 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.104 -2.690 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.671 -4.332 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.871 -6.141 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.295 -5.616 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.650 -5.458 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.413 -3.819 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.271 -5.094 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.696 -3.426 6.711 1.00 0.00 H new ATOM 376 N LEU A 25 -4.320 -2.448 2.029 1.00 0.00 N ATOM 377 CA LEU A 25 -4.138 -1.850 0.706 1.00 0.00 C ATOM 378 C LEU A 25 -4.090 -2.914 -0.398 1.00 0.00 C ATOM 379 O LEU A 25 -3.548 -4.002 -0.202 1.00 0.00 O ATOM 380 CB LEU A 25 -2.876 -0.976 0.623 1.00 0.00 C ATOM 381 CG LEU A 25 -1.843 -1.166 1.736 1.00 0.00 C ATOM 382 CD1 LEU A 25 -0.473 -1.472 1.143 1.00 0.00 C ATOM 383 CD2 LEU A 25 -1.786 0.075 2.620 1.00 0.00 C ATOM 0 H LEU A 25 -3.557 -3.056 2.328 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.008 -1.212 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.388 -1.170 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.184 0.070 0.618 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.143 -2.013 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.250 -1.604 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.529 -2.386 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.160 -0.645 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.047 -0.073 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.505 0.939 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.765 0.248 3.068 1.00 0.00 H new ATOM 395 N LYS A 26 -4.657 -2.590 -1.553 1.00 0.00 N ATOM 396 CA LYS A 26 -4.695 -3.481 -2.718 1.00 0.00 C ATOM 397 C LYS A 26 -3.402 -3.337 -3.521 1.00 0.00 C ATOM 398 O LYS A 26 -2.890 -2.233 -3.656 1.00 0.00 O ATOM 399 CB LYS A 26 -5.860 -3.079 -3.620 1.00 0.00 C ATOM 400 CG LYS A 26 -6.045 -4.019 -4.803 1.00 0.00 C ATOM 401 CD LYS A 26 -7.360 -4.779 -4.723 1.00 0.00 C ATOM 402 CE LYS A 26 -8.436 -4.110 -5.561 1.00 0.00 C ATOM 403 NZ LYS A 26 -8.407 -4.580 -6.973 1.00 0.00 N ATOM 0 H LYS A 26 -5.111 -1.691 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.811 -4.509 -2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.778 -3.058 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.695 -2.067 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.012 -3.447 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.218 -4.728 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.212 -5.803 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.687 -4.836 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.415 -4.317 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.298 -3.029 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.155 -4.101 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.482 -4.360 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.564 -5.608 -7.000 1.00 0.00 H new ATOM 417 N ILE A 27 -2.807 -4.449 -3.951 1.00 0.00 N ATOM 418 CA ILE A 27 -1.534 -4.378 -4.673 1.00 0.00 C ATOM 419 C ILE A 27 -1.680 -4.813 -6.131 1.00 0.00 C ATOM 420 O ILE A 27 -2.420 -5.750 -6.429 1.00 0.00 O ATOM 421 CB ILE A 27 -0.426 -5.209 -3.980 1.00 0.00 C ATOM 422 CG1 ILE A 27 0.952 -4.761 -4.468 1.00 0.00 C ATOM 423 CG2 ILE A 27 -0.611 -6.705 -4.217 1.00 0.00 C ATOM 424 CD1 ILE A 27 1.744 -4.022 -3.421 1.00 0.00 C ATOM 0 H ILE A 27 -3.174 -5.391 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.234 -3.330 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.501 -5.033 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.517 -5.635 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.830 -4.120 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.186 -7.254 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.575 -7.020 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.576 -6.911 -5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.711 -3.733 -3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.198 -3.129 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.896 -4.668 -2.557 1.00 0.00 H new ATOM 436 N LEU A 28 -1.038 -4.088 -7.050 1.00 0.00 N ATOM 437 CA LEU A 28 -1.176 -4.392 -8.474 1.00 0.00 C ATOM 438 C LEU A 28 -0.209 -5.484 -8.930 1.00 0.00 C ATOM 439 O LEU A 28 -0.561 -6.301 -9.783 1.00 0.00 O ATOM 440 CB LEU A 28 -0.960 -3.121 -9.302 1.00 0.00 C ATOM 441 CG LEU A 28 -2.116 -2.118 -9.261 1.00 0.00 C ATOM 442 CD1 LEU A 28 -1.693 -0.780 -9.856 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.332 -2.675 -9.992 1.00 0.00 C ATOM 0 H LEU A 28 -0.427 -3.299 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.187 -4.768 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.056 -2.625 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.783 -3.407 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.389 -1.952 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.530 -0.083 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.857 -0.376 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.389 -0.923 -10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.144 -1.949 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.072 -2.873 -11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.651 -3.602 -9.515 1.00 0.00 H new ATOM 455 N ASN A 29 0.984 -5.543 -8.343 1.00 0.00 N ATOM 456 CA ASN A 29 1.990 -6.550 -8.679 1.00 0.00 C ATOM 457 C ASN A 29 2.948 -6.764 -7.504 1.00 0.00 C ATOM 458 O ASN A 29 2.814 -6.135 -6.455 1.00 0.00 O ATOM 459 CB ASN A 29 2.753 -6.102 -9.927 1.00 0.00 C ATOM 460 CG ASN A 29 2.639 -7.109 -11.056 1.00 0.00 C ATOM 461 OD1 ASN A 29 1.951 -8.123 -10.931 1.00 0.00 O ATOM 462 ND2 ASN A 29 3.313 -6.836 -12.169 1.00 0.00 N ATOM 0 H ASN A 29 1.282 -4.891 -7.617 1.00 0.00 H new ATOM 0 HA ASN A 29 1.497 -7.500 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.368 -5.138 -10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.804 -5.956 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.272 -7.478 -12.961 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.871 -5.985 -12.231 1.00 0.00 H new ATOM 469 N MET A 30 3.891 -7.686 -7.688 1.00 0.00 N ATOM 470 CA MET A 30 4.891 -8.024 -6.673 1.00 0.00 C ATOM 471 C MET A 30 6.134 -7.160 -6.906 1.00 0.00 C ATOM 472 O MET A 30 6.831 -7.358 -7.902 1.00 0.00 O ATOM 473 CB MET A 30 5.286 -9.481 -6.899 1.00 0.00 C ATOM 474 CG MET A 30 6.224 -10.038 -5.837 1.00 0.00 C ATOM 475 SD MET A 30 5.661 -11.621 -5.180 1.00 0.00 S ATOM 476 CE MET A 30 7.218 -12.367 -4.706 1.00 0.00 C ATOM 0 H MET A 30 3.985 -8.223 -8.550 1.00 0.00 H new ATOM 0 HA MET A 30 4.499 -7.863 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.383 -10.091 -6.929 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.764 -9.571 -7.875 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.220 -10.159 -6.264 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.311 -9.320 -5.021 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.034 -13.354 -4.281 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.858 -12.463 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.711 -11.739 -3.964 1.00 0.00 H new ATOM 536 N ASN A 35 11.075 -0.273 -3.187 1.00 0.00 N ATOM 537 CA ASN A 35 10.309 0.461 -4.189 1.00 0.00 C ATOM 538 C ASN A 35 9.027 1.043 -3.575 1.00 0.00 C ATOM 539 O ASN A 35 8.850 1.061 -2.352 1.00 0.00 O ATOM 540 CB ASN A 35 9.991 -0.512 -5.323 1.00 0.00 C ATOM 541 CG ASN A 35 10.149 0.092 -6.715 1.00 0.00 C ATOM 542 OD1 ASN A 35 9.412 1.161 -6.998 1.00 0.00 O flip ATOM 543 ND2 ASN A 35 10.919 -0.405 -7.537 1.00 0.00 N flip ATOM 0 HA ASN A 35 10.883 1.305 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.644 -1.381 -5.238 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.968 -0.870 -5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.471 -1.226 -7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.005 0.004 -8.467 1.00 0.00 H new ATOM 550 N TRP A 36 8.123 1.463 -4.451 1.00 0.00 N ATOM 551 CA TRP A 36 6.827 1.992 -4.070 1.00 0.00 C ATOM 552 C TRP A 36 5.765 1.156 -4.764 1.00 0.00 C ATOM 553 O TRP A 36 5.962 0.738 -5.908 1.00 0.00 O ATOM 554 CB TRP A 36 6.690 3.456 -4.490 1.00 0.00 C ATOM 555 CG TRP A 36 7.767 4.343 -3.951 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.481 4.165 -2.802 1.00 0.00 C ATOM 557 CD2 TRP A 36 8.250 5.552 -4.541 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.373 5.195 -2.636 1.00 0.00 N ATOM 559 CE2 TRP A 36 9.254 6.057 -3.694 1.00 0.00 C ATOM 560 CE3 TRP A 36 7.934 6.253 -5.708 1.00 0.00 C ATOM 561 CZ2 TRP A 36 9.938 7.238 -3.973 1.00 0.00 C ATOM 562 CZ3 TRP A 36 8.611 7.422 -5.985 1.00 0.00 C ATOM 563 CH2 TRP A 36 9.607 7.903 -5.124 1.00 0.00 C ATOM 0 H TRP A 36 8.275 1.444 -5.459 1.00 0.00 H new ATOM 0 HA TRP A 36 6.713 1.946 -2.987 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.696 3.514 -5.578 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.723 3.831 -4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.362 3.334 -2.122 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.018 5.301 -1.853 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.173 5.886 -6.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.700 7.615 -3.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 8.370 7.976 -6.880 1.00 0.00 H new ATOM 0 HH2 TRP A 36 10.125 8.818 -5.373 1.00 0.00 H new ATOM 574 N TYR A 37 4.690 0.819 -4.065 1.00 0.00 N ATOM 575 CA TYR A 37 3.682 -0.045 -4.661 1.00 0.00 C ATOM 576 C TYR A 37 2.489 0.723 -5.202 1.00 0.00 C ATOM 577 O TYR A 37 2.116 1.757 -4.655 1.00 0.00 O ATOM 578 CB TYR A 37 3.184 -1.063 -3.645 1.00 0.00 C ATOM 579 CG TYR A 37 4.269 -1.887 -2.986 1.00 0.00 C ATOM 580 CD1 TYR A 37 4.699 -3.088 -3.540 1.00 0.00 C ATOM 581 CD2 TYR A 37 4.846 -1.477 -1.798 1.00 0.00 C ATOM 582 CE1 TYR A 37 5.678 -3.848 -2.927 1.00 0.00 C ATOM 583 CE2 TYR A 37 5.819 -2.235 -1.187 1.00 0.00 C ATOM 584 CZ TYR A 37 6.234 -3.413 -1.747 1.00 0.00 C ATOM 585 OH TYR A 37 7.212 -4.153 -1.118 1.00 0.00 O ATOM 0 H TYR A 37 4.496 1.121 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 37 4.170 -0.545 -5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.625 -0.538 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.486 -1.738 -4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.261 -3.433 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.529 -0.550 -1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.004 -4.777 -3.372 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.258 -1.898 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 37 7.728 -4.650 -1.787 1.00 0.00 H new ATOM 595 N ARG A 38 1.934 0.253 -6.316 1.00 0.00 N ATOM 596 CA ARG A 38 0.772 0.896 -6.913 1.00 0.00 C ATOM 597 C ARG A 38 -0.415 0.171 -6.304 1.00 0.00 C ATOM 598 O ARG A 38 -0.725 -0.961 -6.679 1.00 0.00 O ATOM 599 CB ARG A 38 0.782 0.785 -8.443 1.00 0.00 C ATOM 600 CG ARG A 38 2.046 1.331 -9.089 1.00 0.00 C ATOM 601 CD ARG A 38 2.478 0.485 -10.279 1.00 0.00 C ATOM 602 NE ARG A 38 3.340 -0.622 -9.876 1.00 0.00 N ATOM 603 CZ ARG A 38 3.766 -1.572 -10.705 1.00 0.00 C ATOM 604 NH1 ARG A 38 3.433 -1.547 -11.990 1.00 0.00 N ATOM 605 NH2 ARG A 38 4.533 -2.551 -10.249 1.00 0.00 N ATOM 0 H ARG A 38 2.270 -0.568 -6.820 1.00 0.00 H new ATOM 0 HA ARG A 38 0.747 1.967 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.665 -0.262 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.080 1.320 -8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.875 2.357 -9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.849 1.360 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.596 0.093 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.005 1.112 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 38 3.633 -0.670 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.846 -0.795 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.765 -2.280 -12.617 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.796 -2.576 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.860 -3.280 -10.883 1.00 0.00 H new ATOM 619 N ALA A 39 -1.051 0.811 -5.330 1.00 0.00 N ATOM 620 CA ALA A 39 -2.173 0.198 -4.639 1.00 0.00 C ATOM 621 C ALA A 39 -3.495 0.854 -5.001 1.00 0.00 C ATOM 622 O ALA A 39 -3.539 1.894 -5.659 1.00 0.00 O ATOM 623 CB ALA A 39 -1.940 0.245 -3.138 1.00 0.00 C ATOM 0 H ALA A 39 -0.810 1.747 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.238 -0.841 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.784 -0.216 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.027 -0.298 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.842 1.282 -2.817 1.00 0.00 H new ATOM 629 N GLU A 40 -4.572 0.212 -4.560 1.00 0.00 N ATOM 630 CA GLU A 40 -5.919 0.694 -4.826 1.00 0.00 C ATOM 631 C GLU A 40 -6.811 0.511 -3.604 1.00 0.00 C ATOM 632 O GLU A 40 -6.523 -0.307 -2.731 1.00 0.00 O ATOM 633 CB GLU A 40 -6.503 -0.025 -6.044 1.00 0.00 C ATOM 634 CG GLU A 40 -6.235 0.694 -7.356 1.00 0.00 C ATOM 635 CD GLU A 40 -7.499 0.959 -8.150 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.476 1.467 -7.560 1.00 0.00 O ATOM 637 OE2 GLU A 40 -7.513 0.658 -9.362 1.00 0.00 O ATOM 0 H GLU A 40 -4.535 -0.649 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.871 1.761 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.086 -1.031 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.579 -0.133 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.735 1.641 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.551 0.097 -7.959 1.00 0.00 H new ATOM 644 N LEU A 41 -7.858 1.319 -3.519 1.00 0.00 N ATOM 645 CA LEU A 41 -8.766 1.250 -2.382 1.00 0.00 C ATOM 646 C LEU A 41 -10.091 1.930 -2.699 1.00 0.00 C ATOM 647 O LEU A 41 -10.146 3.118 -3.021 1.00 0.00 O ATOM 648 CB LEU A 41 -8.124 1.888 -1.152 1.00 0.00 C ATOM 649 CG LEU A 41 -7.574 3.299 -1.373 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.283 4.300 -0.472 1.00 0.00 C ATOM 651 CD2 LEU A 41 -6.070 3.328 -1.133 1.00 0.00 C ATOM 0 H LEU A 41 -8.099 2.024 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.966 0.200 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.862 1.923 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.312 1.246 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.762 3.583 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.877 5.297 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.350 4.299 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.131 4.022 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.695 4.339 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.859 3.022 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.578 2.644 -1.824 1.00 0.00 H new ATOM 663 N ASP A 42 -11.151 1.123 -2.631 1.00 0.00 N ATOM 664 CA ASP A 42 -12.502 1.576 -2.936 1.00 0.00 C ATOM 665 C ASP A 42 -12.627 1.789 -4.438 1.00 0.00 C ATOM 666 O ASP A 42 -13.315 1.038 -5.131 1.00 0.00 O ATOM 667 CB ASP A 42 -12.848 2.863 -2.176 1.00 0.00 C ATOM 668 CG ASP A 42 -13.609 2.590 -0.892 1.00 0.00 C ATOM 669 OD1 ASP A 42 -13.090 1.836 -0.042 1.00 0.00 O ATOM 670 OD2 ASP A 42 -14.723 3.132 -0.736 1.00 0.00 O ATOM 0 H ASP A 42 -11.094 0.140 -2.363 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.210 0.813 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.930 3.402 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.444 3.511 -2.818 1.00 0.00 H new ATOM 675 N GLY A 43 -11.931 2.805 -4.936 1.00 0.00 N ATOM 676 CA GLY A 43 -11.945 3.098 -6.357 1.00 0.00 C ATOM 677 C GLY A 43 -10.813 4.022 -6.780 1.00 0.00 C ATOM 678 O GLY A 43 -10.772 4.457 -7.931 1.00 0.00 O ATOM 0 H GLY A 43 -11.354 3.434 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.875 2.165 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.899 3.556 -6.619 1.00 0.00 H new ATOM 682 N LYS A 44 -9.946 4.404 -5.842 1.00 0.00 N ATOM 683 CA LYS A 44 -8.851 5.317 -6.149 1.00 0.00 C ATOM 684 C LYS A 44 -7.534 4.553 -6.093 1.00 0.00 C ATOM 685 O LYS A 44 -7.268 3.828 -5.136 1.00 0.00 O ATOM 686 CB LYS A 44 -8.829 6.476 -5.157 1.00 0.00 C ATOM 687 CG LYS A 44 -10.129 7.259 -5.136 1.00 0.00 C ATOM 688 CD LYS A 44 -10.306 8.081 -6.407 1.00 0.00 C ATOM 689 CE LYS A 44 -11.639 7.796 -7.082 1.00 0.00 C ATOM 690 NZ LYS A 44 -11.504 7.705 -8.561 1.00 0.00 N ATOM 0 H LYS A 44 -9.982 4.096 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.994 5.727 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.627 6.089 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.009 7.149 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.968 6.571 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.143 7.920 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.240 9.142 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.493 7.860 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.049 6.862 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.349 8.584 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.434 7.510 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.137 8.605 -8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.846 6.937 -8.803 1.00 0.00 H new ATOM 704 N GLU A 45 -6.701 4.749 -7.109 1.00 0.00 N ATOM 705 CA GLU A 45 -5.391 4.107 -7.171 1.00 0.00 C ATOM 706 C GLU A 45 -4.304 5.061 -6.692 1.00 0.00 C ATOM 707 O GLU A 45 -4.403 6.271 -6.913 1.00 0.00 O ATOM 708 CB GLU A 45 -5.081 3.653 -8.598 1.00 0.00 C ATOM 709 CG GLU A 45 -5.361 4.720 -9.641 1.00 0.00 C ATOM 710 CD GLU A 45 -6.563 4.393 -10.503 1.00 0.00 C ATOM 711 OE1 GLU A 45 -7.648 4.139 -9.938 1.00 0.00 O ATOM 712 OE2 GLU A 45 -6.420 4.390 -11.742 1.00 0.00 O ATOM 0 H GLU A 45 -6.910 5.351 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.413 3.235 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.033 3.361 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.673 2.767 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.525 5.675 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.484 4.839 -10.277 1.00 0.00 H new ATOM 719 N GLY A 46 -3.269 4.539 -6.038 1.00 0.00 N ATOM 720 CA GLY A 46 -2.221 5.417 -5.565 1.00 0.00 C ATOM 721 C GLY A 46 -1.015 4.719 -4.971 1.00 0.00 C ATOM 722 O GLY A 46 -1.160 3.790 -4.178 1.00 0.00 O ATOM 0 H GLY A 46 -3.141 3.548 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.888 6.040 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.641 6.086 -4.813 1.00 0.00 H new ATOM 726 N LEU A 47 0.175 5.168 -5.341 1.00 0.00 N ATOM 727 CA LEU A 47 1.425 4.583 -4.863 1.00 0.00 C ATOM 728 C LEU A 47 1.607 4.705 -3.350 1.00 0.00 C ATOM 729 O LEU A 47 1.170 5.689 -2.742 1.00 0.00 O ATOM 730 CB LEU A 47 2.592 5.270 -5.558 1.00 0.00 C ATOM 731 CG LEU A 47 2.510 6.797 -5.574 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.389 7.388 -4.486 1.00 0.00 C ATOM 733 CD2 LEU A 47 2.898 7.338 -6.942 1.00 0.00 C ATOM 0 H LEU A 47 0.304 5.950 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 47 1.391 3.519 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.518 4.974 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.649 4.911 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 47 1.480 7.091 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.319 8.475 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.057 7.026 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.424 7.087 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.834 8.426 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.919 7.036 -7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.220 6.940 -7.697 1.00 0.00 H new ATOM 745 N ILE A 48 2.276 3.704 -2.753 1.00 0.00 N ATOM 746 CA ILE A 48 2.537 3.685 -1.311 1.00 0.00 C ATOM 747 C ILE A 48 3.797 2.860 -0.956 1.00 0.00 C ATOM 748 O ILE A 48 3.759 1.627 -0.957 1.00 0.00 O ATOM 749 CB ILE A 48 1.320 3.137 -0.530 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.050 3.919 -0.878 1.00 0.00 C ATOM 751 CG2 ILE A 48 1.576 3.209 0.959 1.00 0.00 C ATOM 752 CD1 ILE A 48 -1.219 3.115 -0.728 1.00 0.00 C ATOM 0 H ILE A 48 2.646 2.896 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 48 2.715 4.719 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 48 1.175 2.096 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.011 4.799 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.124 4.276 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.711 2.820 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.455 2.613 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.747 4.246 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.076 3.735 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.181 2.249 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.318 2.780 0.305 1.00 0.00 H new ATOM 764 N PRO A 49 4.914 3.537 -0.605 1.00 0.00 N ATOM 765 CA PRO A 49 6.194 2.921 -0.222 1.00 0.00 C ATOM 766 C PRO A 49 6.134 1.517 0.405 1.00 0.00 C ATOM 767 O PRO A 49 5.101 1.053 0.889 1.00 0.00 O ATOM 768 CB PRO A 49 6.743 3.908 0.797 1.00 0.00 C ATOM 769 CG PRO A 49 6.178 5.241 0.417 1.00 0.00 C ATOM 770 CD PRO A 49 5.021 5.003 -0.528 1.00 0.00 C ATOM 0 HA PRO A 49 6.794 2.751 -1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.446 3.631 1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.833 3.925 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.842 5.780 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.940 5.856 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.101 5.450 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.211 5.441 -1.508 1.00 0.00 H new ATOM 778 N SER A 50 7.287 0.844 0.313 1.00 0.00 N ATOM 779 CA SER A 50 7.489 -0.523 0.812 1.00 0.00 C ATOM 780 C SER A 50 7.522 -0.665 2.338 1.00 0.00 C ATOM 781 O SER A 50 6.981 -1.623 2.891 1.00 0.00 O ATOM 782 CB SER A 50 8.790 -1.088 0.232 1.00 0.00 C ATOM 783 OG SER A 50 8.810 -2.506 0.285 1.00 0.00 O ATOM 0 H SER A 50 8.122 1.241 -0.118 1.00 0.00 H new ATOM 0 HA SER A 50 6.614 -1.083 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.902 -0.760 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.640 -0.690 0.786 1.00 0.00 H new ATOM 0 HG SER A 50 8.173 -2.867 -0.366 1.00 0.00 H new ATOM 789 N ASN A 51 8.231 0.235 2.995 1.00 0.00 N ATOM 790 CA ASN A 51 8.439 0.162 4.446 1.00 0.00 C ATOM 791 C ASN A 51 7.189 0.368 5.318 1.00 0.00 C ATOM 792 O ASN A 51 7.195 0.003 6.495 1.00 0.00 O ATOM 793 CB ASN A 51 9.487 1.209 4.842 1.00 0.00 C ATOM 794 CG ASN A 51 9.224 2.591 4.241 1.00 0.00 C ATOM 795 OD1 ASN A 51 7.954 2.948 4.061 1.00 0.00 O flip ATOM 796 ND2 ASN A 51 10.160 3.336 3.945 1.00 0.00 N flip ATOM 0 H ASN A 51 8.680 1.035 2.550 1.00 0.00 H new ATOM 0 HA ASN A 51 8.759 -0.862 4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.513 1.293 5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.471 0.865 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.122 3.031 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.973 4.257 3.549 1.00 0.00 H new ATOM 803 N TYR A 52 6.131 0.945 4.761 1.00 0.00 N ATOM 804 CA TYR A 52 4.909 1.197 5.526 1.00 0.00 C ATOM 805 C TYR A 52 3.912 0.034 5.416 1.00 0.00 C ATOM 806 O TYR A 52 2.937 -0.055 6.191 1.00 0.00 O ATOM 807 CB TYR A 52 4.280 2.507 5.036 1.00 0.00 C ATOM 808 CG TYR A 52 2.768 2.556 5.063 1.00 0.00 C ATOM 809 CD1 TYR A 52 2.063 2.506 6.252 1.00 0.00 C ATOM 810 CD2 TYR A 52 2.051 2.685 3.891 1.00 0.00 C ATOM 811 CE1 TYR A 52 0.685 2.584 6.267 1.00 0.00 C ATOM 812 CE2 TYR A 52 0.671 2.758 3.899 1.00 0.00 C ATOM 813 CZ TYR A 52 -0.003 2.710 5.096 1.00 0.00 C ATOM 814 OH TYR A 52 -1.375 2.780 5.124 1.00 0.00 O ATOM 0 H TYR A 52 6.091 1.247 3.788 1.00 0.00 H new ATOM 0 HA TYR A 52 5.168 1.284 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.663 3.324 5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.613 2.690 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.599 2.404 7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.578 2.730 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.152 2.545 7.205 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.126 2.852 2.971 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.729 2.052 5.676 1.00 0.00 H new ATOM 824 N ILE A 53 4.234 -0.930 4.554 1.00 0.00 N ATOM 825 CA ILE A 53 3.404 -2.117 4.382 1.00 0.00 C ATOM 826 C ILE A 53 4.241 -3.394 4.402 1.00 0.00 C ATOM 827 O ILE A 53 5.453 -3.373 4.185 1.00 0.00 O ATOM 828 CB ILE A 53 2.603 -2.025 3.038 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.022 -3.103 2.032 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.762 -0.656 2.376 1.00 0.00 C ATOM 831 CD1 ILE A 53 2.104 -4.292 2.017 1.00 0.00 C ATOM 0 H ILE A 53 5.066 -0.910 3.964 1.00 0.00 H new ATOM 0 HA ILE A 53 2.706 -2.159 5.218 1.00 0.00 H new ATOM 0 HB ILE A 53 1.559 -2.182 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.055 -2.666 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.033 -3.436 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.192 -0.632 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.393 0.118 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.815 -0.477 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.458 -5.016 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.090 -4.753 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.097 -3.971 1.752 1.00 0.00 H new ATOM 843 N GLU A 54 3.553 -4.510 4.669 1.00 0.00 N ATOM 844 CA GLU A 54 4.142 -5.844 4.729 1.00 0.00 C ATOM 845 C GLU A 54 3.136 -6.869 4.206 1.00 0.00 C ATOM 846 O GLU A 54 1.941 -6.750 4.482 1.00 0.00 O ATOM 847 CB GLU A 54 4.496 -6.250 6.167 1.00 0.00 C ATOM 848 CG GLU A 54 5.647 -7.238 6.247 1.00 0.00 C ATOM 849 CD GLU A 54 6.071 -7.536 7.671 1.00 0.00 C ATOM 850 OE1 GLU A 54 6.043 -6.609 8.507 1.00 0.00 O ATOM 851 OE2 GLU A 54 6.437 -8.698 7.949 1.00 0.00 O ATOM 0 H GLU A 54 2.550 -4.506 4.853 1.00 0.00 H new ATOM 0 HA GLU A 54 5.049 -5.821 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.753 -5.357 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.617 -6.688 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.356 -8.168 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.499 -6.841 5.695 1.00 0.00 H new ATOM 858 N MET A 55 3.600 -7.908 3.519 1.00 0.00 N ATOM 859 CA MET A 55 2.683 -8.931 3.018 1.00 0.00 C ATOM 860 C MET A 55 2.092 -9.762 4.161 1.00 0.00 C ATOM 861 O MET A 55 2.819 -10.455 4.872 1.00 0.00 O ATOM 862 CB MET A 55 3.398 -9.851 2.026 1.00 0.00 C ATOM 863 CG MET A 55 3.234 -9.438 0.575 1.00 0.00 C ATOM 864 SD MET A 55 4.326 -8.079 0.117 1.00 0.00 S ATOM 865 CE MET A 55 5.539 -8.941 -0.879 1.00 0.00 C ATOM 0 H MET A 55 4.584 -8.065 3.299 1.00 0.00 H new ATOM 0 HA MET A 55 1.866 -8.419 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.460 -9.875 2.269 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.020 -10.866 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.436 -10.295 -0.068 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.199 -9.144 0.399 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.286 -8.232 -1.237 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.026 -9.708 -0.276 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.045 -9.409 -1.730 1.00 0.00 H new ATOM 875 N LYS A 56 0.769 -9.736 4.299 1.00 0.00 N ATOM 876 CA LYS A 56 0.085 -10.520 5.327 1.00 0.00 C ATOM 877 C LYS A 56 -0.243 -11.934 4.838 1.00 0.00 C ATOM 878 O LYS A 56 -1.362 -12.412 5.032 1.00 0.00 O ATOM 879 CB LYS A 56 -1.211 -9.834 5.779 1.00 0.00 C ATOM 880 CG LYS A 56 -2.208 -9.589 4.655 1.00 0.00 C ATOM 881 CD LYS A 56 -3.522 -10.319 4.899 1.00 0.00 C ATOM 882 CE LYS A 56 -4.424 -9.547 5.847 1.00 0.00 C ATOM 883 NZ LYS A 56 -5.810 -9.420 5.312 1.00 0.00 N ATOM 0 H LYS A 56 0.147 -9.180 3.712 1.00 0.00 H new ATOM 0 HA LYS A 56 0.771 -10.590 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.686 -10.447 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.962 -8.880 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.397 -8.520 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.778 -9.919 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.036 -10.471 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.319 -11.307 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.452 -10.051 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.008 -8.554 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.395 -8.887 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.786 -8.917 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.217 -10.367 5.173 1.00 0.00 H new