USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 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 Single : A 1 ALA N :NH3+ -105:sc= 0.0976 (180deg=0) USER MOD Single : A 5 SER OG : rot 96:sc= -0.602! USER MOD Single : A 8 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.857 X(o=-0.86,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= -0.834 K(o=-0.83,f=-5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 51 MET CE :methyl -174:sc= 0 (180deg=-0.00442) USER MOD Single : A 53 SER OG : rot 92:sc= 1.21 USER MOD Single : A 60 ASN : amide:sc= -4.43! C(o=-4.4!,f=-6.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 174:sc=-0.00683 (180deg=-0.0376) USER MOD Single : A 74 LYS NZ :NH3+ -122:sc= -1.02 (180deg=-1.36) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 8:sc= 0.548 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -31.721 -7.817 0.974 1.00 0.00 N ATOM 2 CA ALA A 1 -31.394 -9.183 1.476 1.00 0.00 C ATOM 3 C ALA A 1 -30.710 -9.077 2.838 1.00 0.00 C ATOM 4 O ALA A 1 -30.151 -8.036 3.181 1.00 0.00 O ATOM 5 CB ALA A 1 -30.466 -9.879 0.477 1.00 0.00 C ATOM 0 H1 ALA A 1 -32.742 -7.645 1.075 1.00 0.00 H new ATOM 0 H2 ALA A 1 -31.195 -7.109 1.525 1.00 0.00 H new ATOM 0 H3 ALA A 1 -31.455 -7.743 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 1 -32.309 -9.765 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -30.224 -10.878 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.963 -9.955 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -29.549 -9.301 0.369 1.00 0.00 H new ATOM 13 N ASP A 2 -30.762 -10.162 3.607 1.00 0.00 N ATOM 14 CA ASP A 2 -30.147 -10.183 4.934 1.00 0.00 C ATOM 15 C ASP A 2 -28.625 -10.278 4.831 1.00 0.00 C ATOM 16 O ASP A 2 -28.090 -10.795 3.848 1.00 0.00 O ATOM 17 CB ASP A 2 -30.674 -11.377 5.732 1.00 0.00 C ATOM 18 CG ASP A 2 -30.360 -12.674 4.996 1.00 0.00 C ATOM 19 OD1 ASP A 2 -29.594 -12.623 4.048 1.00 0.00 O ATOM 20 OD2 ASP A 2 -30.888 -13.700 5.393 1.00 0.00 O ATOM 0 H ASP A 2 -31.220 -11.033 3.338 1.00 0.00 H new ATOM 0 HA ASP A 2 -30.406 -9.254 5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -30.220 -11.392 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -31.750 -11.282 5.876 1.00 0.00 H new ATOM 25 N ILE A 3 -27.937 -9.783 5.858 1.00 0.00 N ATOM 26 CA ILE A 3 -26.475 -9.822 5.885 1.00 0.00 C ATOM 27 C ILE A 3 -25.891 -9.104 4.676 1.00 0.00 C ATOM 28 O ILE A 3 -26.065 -9.539 3.538 1.00 0.00 O ATOM 29 CB ILE A 3 -25.999 -11.278 5.903 1.00 0.00 C ATOM 30 CG1 ILE A 3 -26.840 -12.071 6.907 1.00 0.00 C ATOM 31 CG2 ILE A 3 -24.524 -11.345 6.306 1.00 0.00 C ATOM 32 CD1 ILE A 3 -26.857 -11.349 8.260 1.00 0.00 C ATOM 0 H ILE A 3 -28.364 -9.353 6.678 1.00 0.00 H new ATOM 0 HA ILE A 3 -26.132 -9.313 6.786 1.00 0.00 H new ATOM 0 HB ILE A 3 -26.113 -11.705 4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -27.857 -12.184 6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -26.430 -13.074 7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -24.196 -12.385 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -23.925 -10.782 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -24.399 -10.916 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -27.457 -11.919 8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -25.838 -11.259 8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -27.288 -10.355 8.137 1.00 0.00 H new ATOM 44 N LEU A 4 -25.202 -7.998 4.925 1.00 0.00 N ATOM 45 CA LEU A 4 -24.604 -7.232 3.839 1.00 0.00 C ATOM 46 C LEU A 4 -23.402 -7.980 3.274 1.00 0.00 C ATOM 47 O LEU A 4 -22.976 -7.715 2.153 1.00 0.00 O ATOM 48 CB LEU A 4 -24.175 -5.828 4.330 1.00 0.00 C ATOM 49 CG LEU A 4 -24.554 -4.764 3.287 1.00 0.00 C ATOM 50 CD1 LEU A 4 -24.206 -3.369 3.811 1.00 0.00 C ATOM 51 CD2 LEU A 4 -23.783 -5.037 1.988 1.00 0.00 C ATOM 0 H LEU A 4 -25.044 -7.615 5.857 1.00 0.00 H new ATOM 0 HA LEU A 4 -25.349 -7.108 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -24.658 -5.604 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -23.099 -5.809 4.506 1.00 0.00 H new ATOM 0 HG LEU A 4 -25.626 -4.810 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -24.478 -2.622 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -24.756 -3.179 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -23.136 -3.311 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -24.047 -4.286 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -22.712 -4.992 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -24.042 -6.027 1.612 1.00 0.00 H new ATOM 63 N SER A 5 -22.859 -8.902 4.069 1.00 0.00 N ATOM 64 CA SER A 5 -21.700 -9.687 3.649 1.00 0.00 C ATOM 65 C SER A 5 -20.404 -8.908 3.870 1.00 0.00 C ATOM 66 O SER A 5 -19.588 -8.776 2.962 1.00 0.00 O ATOM 67 CB SER A 5 -21.829 -10.063 2.163 1.00 0.00 C ATOM 68 OG SER A 5 -23.207 -10.188 1.839 1.00 0.00 O ATOM 0 H SER A 5 -23.202 -9.123 5.004 1.00 0.00 H new ATOM 0 HA SER A 5 -21.667 -10.594 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.363 -9.301 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.308 -11.000 1.964 1.00 0.00 H new ATOM 0 HG SER A 5 -23.530 -9.347 1.454 1.00 0.00 H new ATOM 74 N GLU A 6 -20.220 -8.398 5.079 1.00 0.00 N ATOM 75 CA GLU A 6 -19.017 -7.633 5.394 1.00 0.00 C ATOM 76 C GLU A 6 -17.841 -8.559 5.675 1.00 0.00 C ATOM 77 O GLU A 6 -17.098 -8.360 6.630 1.00 0.00 O ATOM 78 CB GLU A 6 -19.268 -6.737 6.611 1.00 0.00 C ATOM 79 CG GLU A 6 -20.666 -6.115 6.507 1.00 0.00 C ATOM 80 CD GLU A 6 -21.722 -7.114 6.973 1.00 0.00 C ATOM 81 OE1 GLU A 6 -21.440 -7.857 7.898 1.00 0.00 O ATOM 82 OE2 GLU A 6 -22.793 -7.131 6.392 1.00 0.00 O ATOM 0 H GLU A 6 -20.878 -8.497 5.852 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.773 -7.014 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.185 -7.320 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.512 -5.953 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.716 -5.211 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.865 -5.818 5.477 1.00 0.00 H new ATOM 89 N GLU A 7 -17.680 -9.581 4.842 1.00 0.00 N ATOM 90 CA GLU A 7 -16.585 -10.532 5.025 1.00 0.00 C ATOM 91 C GLU A 7 -15.313 -10.032 4.344 1.00 0.00 C ATOM 92 O GLU A 7 -14.276 -9.872 4.990 1.00 0.00 O ATOM 93 CB GLU A 7 -16.980 -11.896 4.452 1.00 0.00 C ATOM 94 CG GLU A 7 -18.109 -12.494 5.296 1.00 0.00 C ATOM 95 CD GLU A 7 -18.575 -13.812 4.686 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.018 -14.203 3.674 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.483 -14.410 5.240 1.00 0.00 O ATOM 0 H GLU A 7 -18.284 -9.773 4.043 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.388 -10.631 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.303 -11.788 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.119 -12.565 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.763 -12.658 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.943 -11.794 5.351 1.00 0.00 H new ATOM 104 N GLN A 8 -15.393 -9.787 3.040 1.00 0.00 N ATOM 105 CA GLN A 8 -14.237 -9.304 2.294 1.00 0.00 C ATOM 106 C GLN A 8 -13.872 -7.890 2.734 1.00 0.00 C ATOM 107 O GLN A 8 -12.697 -7.535 2.793 1.00 0.00 O ATOM 108 CB GLN A 8 -14.526 -9.331 0.789 1.00 0.00 C ATOM 109 CG GLN A 8 -15.911 -8.742 0.523 1.00 0.00 C ATOM 110 CD GLN A 8 -16.121 -8.550 -0.974 1.00 0.00 C ATOM 111 OE1 GLN A 8 -15.168 -8.277 -1.706 1.00 0.00 O ATOM 112 NE2 GLN A 8 -17.319 -8.674 -1.473 1.00 0.00 N ATOM 0 H GLN A 8 -16.238 -9.913 2.483 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.393 -9.962 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.768 -8.761 0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.477 -10.354 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.679 -9.404 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.013 -7.787 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.105 -8.900 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.471 -8.545 -2.473 1.00 0.00 H new ATOM 121 N ILE A 9 -14.886 -7.079 3.026 1.00 0.00 N ATOM 122 CA ILE A 9 -14.639 -5.702 3.438 1.00 0.00 C ATOM 123 C ILE A 9 -13.849 -5.680 4.738 1.00 0.00 C ATOM 124 O ILE A 9 -12.884 -4.928 4.868 1.00 0.00 O ATOM 125 CB ILE A 9 -15.970 -4.962 3.631 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.834 -5.138 2.376 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.696 -3.469 3.854 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.056 -4.710 1.126 1.00 0.00 C ATOM 0 H ILE A 9 -15.870 -7.346 2.986 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.062 -5.203 2.660 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.493 -5.370 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.141 -6.180 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.744 -4.544 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.640 -2.942 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.077 -3.341 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.176 -3.061 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.683 -4.841 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.771 -3.662 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.160 -5.322 1.028 1.00 0.00 H new ATOM 140 N VAL A 10 -14.244 -6.515 5.693 1.00 0.00 N ATOM 141 CA VAL A 10 -13.533 -6.573 6.961 1.00 0.00 C ATOM 142 C VAL A 10 -12.101 -7.061 6.748 1.00 0.00 C ATOM 143 O VAL A 10 -11.155 -6.486 7.286 1.00 0.00 O ATOM 144 CB VAL A 10 -14.264 -7.494 7.944 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.402 -7.715 9.193 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.590 -6.846 8.355 1.00 0.00 C ATOM 0 H VAL A 10 -15.039 -7.150 5.615 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.501 -5.568 7.383 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.453 -8.454 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.928 -8.371 9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.456 -8.175 8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.208 -6.757 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.113 -7.499 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.393 -5.886 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.209 -6.692 7.471 1.00 0.00 H new ATOM 156 N ASP A 11 -11.942 -8.122 5.965 1.00 0.00 N ATOM 157 CA ASP A 11 -10.613 -8.654 5.703 1.00 0.00 C ATOM 158 C ASP A 11 -9.789 -7.642 4.915 1.00 0.00 C ATOM 159 O ASP A 11 -8.609 -7.435 5.191 1.00 0.00 O ATOM 160 CB ASP A 11 -10.709 -9.973 4.932 1.00 0.00 C ATOM 161 CG ASP A 11 -9.322 -10.583 4.764 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.357 -9.918 5.107 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.243 -11.706 4.295 1.00 0.00 O ATOM 0 H ASP A 11 -12.704 -8.623 5.508 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.119 -8.844 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.359 -10.668 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.160 -9.800 3.955 1.00 0.00 H new ATOM 168 N PHE A 12 -10.417 -7.022 3.921 1.00 0.00 N ATOM 169 CA PHE A 12 -9.720 -6.043 3.095 1.00 0.00 C ATOM 170 C PHE A 12 -9.265 -4.867 3.950 1.00 0.00 C ATOM 171 O PHE A 12 -8.097 -4.483 3.918 1.00 0.00 O ATOM 172 CB PHE A 12 -10.643 -5.542 1.967 1.00 0.00 C ATOM 173 CG PHE A 12 -10.593 -6.502 0.793 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.572 -7.885 1.011 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.558 -6.007 -0.513 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.520 -8.764 -0.071 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.509 -6.890 -1.599 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.491 -8.264 -1.378 1.00 0.00 C ATOM 0 H PHE A 12 -11.393 -7.177 3.670 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.847 -6.521 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.666 -5.456 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.334 -4.547 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.596 -8.272 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.569 -4.941 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.502 -9.830 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.485 -6.505 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.455 -8.945 -2.216 1.00 0.00 H new ATOM 188 N LYS A 13 -10.196 -4.294 4.705 1.00 0.00 N ATOM 189 CA LYS A 13 -9.874 -3.157 5.552 1.00 0.00 C ATOM 190 C LYS A 13 -8.818 -3.546 6.577 1.00 0.00 C ATOM 191 O LYS A 13 -7.987 -2.725 6.962 1.00 0.00 O ATOM 192 CB LYS A 13 -11.147 -2.650 6.255 1.00 0.00 C ATOM 193 CG LYS A 13 -10.962 -1.192 6.706 1.00 0.00 C ATOM 194 CD LYS A 13 -12.287 -0.642 7.246 1.00 0.00 C ATOM 195 CE LYS A 13 -12.093 0.810 7.688 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.397 1.371 8.142 1.00 0.00 N ATOM 0 H LYS A 13 -11.169 -4.596 4.747 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.473 -2.355 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.998 -2.723 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.370 -3.279 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.193 -1.135 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.620 -0.584 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.058 -0.700 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.629 -1.247 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.363 0.861 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.698 1.403 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.265 2.358 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.081 1.336 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.756 0.811 8.941 1.00 0.00 H new ATOM 210 N GLU A 14 -8.838 -4.806 7.008 1.00 0.00 N ATOM 211 CA GLU A 14 -7.854 -5.268 7.979 1.00 0.00 C ATOM 212 C GLU A 14 -6.467 -5.256 7.358 1.00 0.00 C ATOM 213 O GLU A 14 -5.492 -4.881 8.003 1.00 0.00 O ATOM 214 CB GLU A 14 -8.195 -6.678 8.437 1.00 0.00 C ATOM 215 CG GLU A 14 -7.316 -7.065 9.633 1.00 0.00 C ATOM 216 CD GLU A 14 -7.682 -8.465 10.114 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.381 -9.154 9.390 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.262 -8.828 11.201 1.00 0.00 O ATOM 0 H GLU A 14 -9.511 -5.511 6.707 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.869 -4.599 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.248 -6.735 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.042 -7.382 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.264 -7.032 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.450 -6.346 10.442 1.00 0.00 H new ATOM 225 N ALA A 15 -6.391 -5.653 6.096 1.00 0.00 N ATOM 226 CA ALA A 15 -5.107 -5.660 5.401 1.00 0.00 C ATOM 227 C ALA A 15 -4.570 -4.235 5.287 1.00 0.00 C ATOM 228 O ALA A 15 -3.393 -3.987 5.554 1.00 0.00 O ATOM 229 CB ALA A 15 -5.244 -6.277 4.003 1.00 0.00 C ATOM 0 H ALA A 15 -7.185 -5.969 5.539 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.409 -6.266 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.274 -6.271 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.600 -7.304 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.956 -5.696 3.417 1.00 0.00 H new ATOM 235 N PHE A 16 -5.433 -3.298 4.892 1.00 0.00 N ATOM 236 CA PHE A 16 -5.016 -1.909 4.760 1.00 0.00 C ATOM 237 C PHE A 16 -4.581 -1.341 6.104 1.00 0.00 C ATOM 238 O PHE A 16 -3.513 -0.739 6.216 1.00 0.00 O ATOM 239 CB PHE A 16 -6.176 -1.073 4.216 1.00 0.00 C ATOM 240 CG PHE A 16 -5.731 0.356 4.043 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.089 0.750 2.864 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.959 1.288 5.061 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.679 2.078 2.702 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.546 2.616 4.900 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.907 3.011 3.720 1.00 0.00 C ATOM 0 H PHE A 16 -6.411 -3.475 4.662 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.171 -1.871 4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.513 -1.478 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.024 -1.120 4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.910 0.030 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.454 0.983 5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.186 2.383 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.721 3.335 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.590 4.036 3.595 1.00 0.00 H new ATOM 255 N GLY A 17 -5.413 -1.527 7.126 1.00 0.00 N ATOM 256 CA GLY A 17 -5.086 -1.011 8.446 1.00 0.00 C ATOM 257 C GLY A 17 -3.731 -1.529 8.892 1.00 0.00 C ATOM 258 O GLY A 17 -2.919 -0.777 9.428 1.00 0.00 O ATOM 0 H GLY A 17 -6.302 -2.023 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.078 0.079 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.851 -1.311 9.161 1.00 0.00 H new ATOM 262 N LEU A 18 -3.485 -2.815 8.670 1.00 0.00 N ATOM 263 CA LEU A 18 -2.219 -3.404 9.059 1.00 0.00 C ATOM 264 C LEU A 18 -1.078 -2.729 8.309 1.00 0.00 C ATOM 265 O LEU A 18 -0.015 -2.471 8.874 1.00 0.00 O ATOM 266 CB LEU A 18 -2.241 -4.914 8.745 1.00 0.00 C ATOM 267 CG LEU A 18 -1.059 -5.637 9.415 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.249 -5.655 10.946 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.978 -7.084 8.898 1.00 0.00 C ATOM 0 H LEU A 18 -4.140 -3.460 8.228 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.065 -3.260 10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.179 -5.347 9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.199 -5.065 7.666 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.138 -5.107 9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.408 -6.169 11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.300 -4.632 11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.174 -6.177 11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.140 -7.594 9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.904 -7.608 9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.832 -7.077 7.818 1.00 0.00 H new ATOM 281 N PHE A 19 -1.301 -2.454 7.029 1.00 0.00 N ATOM 282 CA PHE A 19 -0.280 -1.824 6.201 1.00 0.00 C ATOM 283 C PHE A 19 0.006 -0.432 6.695 1.00 0.00 C ATOM 284 O PHE A 19 1.161 -0.009 6.782 1.00 0.00 O ATOM 285 CB PHE A 19 -0.739 -1.792 4.738 1.00 0.00 C ATOM 286 CG PHE A 19 -0.785 -3.202 4.154 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.748 -4.355 4.985 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.866 -3.367 2.761 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.788 -5.622 4.422 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.905 -4.656 2.207 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.865 -5.779 3.041 1.00 0.00 C ATOM 0 H PHE A 19 -2.175 -2.656 6.544 1.00 0.00 H new ATOM 0 HA PHE A 19 0.639 -2.407 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.726 -1.333 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.060 -1.173 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.689 -4.244 6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.898 -2.501 2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.759 -6.493 5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.966 -4.781 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.894 -6.770 2.612 1.00 0.00 H new ATOM 301 N ASP A 20 -1.050 0.278 7.021 1.00 0.00 N ATOM 302 CA ASP A 20 -0.918 1.632 7.512 1.00 0.00 C ATOM 303 C ASP A 20 -0.580 1.621 9.001 1.00 0.00 C ATOM 304 O ASP A 20 -1.248 2.262 9.812 1.00 0.00 O ATOM 305 CB ASP A 20 -2.227 2.367 7.251 1.00 0.00 C ATOM 306 CG ASP A 20 -2.211 3.739 7.913 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.166 4.122 8.409 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.244 4.383 7.919 1.00 0.00 O ATOM 0 H ASP A 20 -2.010 -0.059 6.955 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.107 2.145 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.381 2.477 6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.062 1.781 7.635 1.00 0.00 H new ATOM 313 N LYS A 21 0.437 0.840 9.354 1.00 0.00 N ATOM 314 CA LYS A 21 0.848 0.708 10.750 1.00 0.00 C ATOM 315 C LYS A 21 0.820 2.052 11.478 1.00 0.00 C ATOM 316 O LYS A 21 0.865 2.094 12.708 1.00 0.00 O ATOM 317 CB LYS A 21 2.257 0.109 10.828 1.00 0.00 C ATOM 318 CG LYS A 21 3.317 1.176 10.446 1.00 0.00 C ATOM 319 CD LYS A 21 3.952 1.768 11.718 1.00 0.00 C ATOM 320 CE LYS A 21 5.088 0.860 12.193 1.00 0.00 C ATOM 321 NZ LYS A 21 5.589 1.341 13.507 1.00 0.00 N ATOM 0 H LYS A 21 0.990 0.291 8.696 1.00 0.00 H new ATOM 0 HA LYS A 21 0.137 0.044 11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.448 -0.259 11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.334 -0.746 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.088 0.727 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.852 1.968 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.333 2.769 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.200 1.866 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.735 -0.167 12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.896 0.858 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.361 0.724 13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.941 2.315 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.816 1.321 14.202 1.00 0.00 H new ATOM 335 N ASP A 22 0.753 3.155 10.728 1.00 0.00 N ATOM 336 CA ASP A 22 0.733 4.482 11.344 1.00 0.00 C ATOM 337 C ASP A 22 -0.700 4.929 11.644 1.00 0.00 C ATOM 338 O ASP A 22 -0.932 5.705 12.570 1.00 0.00 O ATOM 339 CB ASP A 22 1.379 5.487 10.388 1.00 0.00 C ATOM 340 CG ASP A 22 2.654 4.898 9.808 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.613 4.754 10.548 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.647 4.596 8.627 1.00 0.00 O ATOM 0 H ASP A 22 0.712 3.156 9.709 1.00 0.00 H new ATOM 0 HA ASP A 22 1.285 4.436 12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.685 5.737 9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.603 6.414 10.916 1.00 0.00 H new ATOM 347 N GLY A 23 -1.656 4.433 10.863 1.00 0.00 N ATOM 348 CA GLY A 23 -3.058 4.791 11.071 1.00 0.00 C ATOM 349 C GLY A 23 -3.381 6.169 10.491 1.00 0.00 C ATOM 350 O GLY A 23 -4.417 6.753 10.812 1.00 0.00 O ATOM 0 H GLY A 23 -1.490 3.790 10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.698 4.041 10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.281 4.784 12.138 1.00 0.00 H new ATOM 354 N ASP A 24 -2.488 6.696 9.658 1.00 0.00 N ATOM 355 CA ASP A 24 -2.707 8.015 9.077 1.00 0.00 C ATOM 356 C ASP A 24 -3.856 7.979 8.082 1.00 0.00 C ATOM 357 O ASP A 24 -4.389 9.022 7.704 1.00 0.00 O ATOM 358 CB ASP A 24 -1.442 8.512 8.379 1.00 0.00 C ATOM 359 CG ASP A 24 -1.026 7.530 7.293 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.629 6.471 7.218 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.111 7.849 6.551 1.00 0.00 O ATOM 0 H ASP A 24 -1.621 6.239 9.375 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.960 8.700 9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.620 9.495 7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.637 8.626 9.105 1.00 0.00 H new ATOM 366 N GLY A 25 -4.232 6.777 7.651 1.00 0.00 N ATOM 367 CA GLY A 25 -5.321 6.620 6.692 1.00 0.00 C ATOM 368 C GLY A 25 -4.781 6.448 5.278 1.00 0.00 C ATOM 369 O GLY A 25 -5.514 6.054 4.371 1.00 0.00 O ATOM 0 H GLY A 25 -3.801 5.902 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.926 5.755 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.975 7.491 6.732 1.00 0.00 H new ATOM 373 N CYS A 26 -3.496 6.756 5.089 1.00 0.00 N ATOM 374 CA CYS A 26 -2.871 6.643 3.766 1.00 0.00 C ATOM 375 C CYS A 26 -1.513 5.946 3.857 1.00 0.00 C ATOM 376 O CYS A 26 -0.711 6.240 4.750 1.00 0.00 O ATOM 377 CB CYS A 26 -2.677 8.040 3.167 1.00 0.00 C ATOM 378 SG CYS A 26 -4.253 8.929 3.179 1.00 0.00 S ATOM 0 H CYS A 26 -2.872 7.083 5.826 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.528 6.049 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.932 8.592 3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.300 7.961 2.147 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.086 10.115 2.672 1.00 0.00 H new ATOM 384 N ILE A 27 -1.250 5.029 2.920 1.00 0.00 N ATOM 385 CA ILE A 27 0.030 4.313 2.896 1.00 0.00 C ATOM 386 C ILE A 27 0.935 4.956 1.847 1.00 0.00 C ATOM 387 O ILE A 27 0.614 4.949 0.660 1.00 0.00 O ATOM 388 CB ILE A 27 -0.181 2.842 2.509 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.210 2.181 3.436 1.00 0.00 C ATOM 390 CG2 ILE A 27 1.147 2.091 2.635 1.00 0.00 C ATOM 391 CD1 ILE A 27 -1.734 0.908 2.767 1.00 0.00 C ATOM 0 H ILE A 27 -1.898 4.767 2.177 1.00 0.00 H new ATOM 0 HA ILE A 27 0.479 4.365 3.888 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.547 2.802 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.753 1.942 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.033 2.867 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.001 1.046 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.884 2.541 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.502 2.150 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.466 0.430 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.204 1.163 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.905 0.223 2.589 1.00 0.00 H new ATOM 403 N THR A 28 2.066 5.510 2.276 1.00 0.00 N ATOM 404 CA THR A 28 2.986 6.137 1.331 1.00 0.00 C ATOM 405 C THR A 28 3.786 5.063 0.604 1.00 0.00 C ATOM 406 O THR A 28 3.836 3.917 1.047 1.00 0.00 O ATOM 407 CB THR A 28 3.943 7.086 2.062 1.00 0.00 C ATOM 408 OG1 THR A 28 3.188 8.029 2.811 1.00 0.00 O ATOM 409 CG2 THR A 28 4.815 7.823 1.042 1.00 0.00 C ATOM 0 H THR A 28 2.364 5.538 3.251 1.00 0.00 H new ATOM 0 HA THR A 28 2.406 6.712 0.609 1.00 0.00 H new ATOM 0 HB THR A 28 4.582 6.513 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.797 8.636 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.494 8.497 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.392 7.099 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.180 8.398 0.368 1.00 0.00 H new ATOM 417 N VAL A 29 4.401 5.423 -0.520 1.00 0.00 N ATOM 418 CA VAL A 29 5.174 4.440 -1.276 1.00 0.00 C ATOM 419 C VAL A 29 6.260 3.823 -0.397 1.00 0.00 C ATOM 420 O VAL A 29 6.417 2.603 -0.363 1.00 0.00 O ATOM 421 CB VAL A 29 5.822 5.099 -2.500 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.391 4.014 -3.420 1.00 0.00 C ATOM 423 CG2 VAL A 29 4.775 5.929 -3.260 1.00 0.00 C ATOM 0 H VAL A 29 4.382 6.361 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 29 4.494 3.655 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 29 6.628 5.757 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.852 4.480 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.140 3.435 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.587 3.354 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.241 6.395 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.964 5.279 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.377 6.702 -2.603 1.00 0.00 H new ATOM 433 N GLU A 30 6.995 4.660 0.326 1.00 0.00 N ATOM 434 CA GLU A 30 8.042 4.162 1.203 1.00 0.00 C ATOM 435 C GLU A 30 7.457 3.195 2.229 1.00 0.00 C ATOM 436 O GLU A 30 8.024 2.133 2.503 1.00 0.00 O ATOM 437 CB GLU A 30 8.719 5.329 1.914 1.00 0.00 C ATOM 438 CG GLU A 30 9.588 6.102 0.922 1.00 0.00 C ATOM 439 CD GLU A 30 8.709 6.924 -0.014 1.00 0.00 C ATOM 440 OE1 GLU A 30 7.982 7.770 0.479 1.00 0.00 O ATOM 441 OE2 GLU A 30 8.772 6.690 -1.210 1.00 0.00 O ATOM 0 H GLU A 30 6.886 5.674 0.322 1.00 0.00 H new ATOM 0 HA GLU A 30 8.781 3.631 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.967 5.990 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.330 4.960 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.273 6.758 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.199 5.408 0.344 1.00 0.00 H new ATOM 448 N GLU A 31 6.303 3.559 2.776 1.00 0.00 N ATOM 449 CA GLU A 31 5.639 2.713 3.757 1.00 0.00 C ATOM 450 C GLU A 31 5.165 1.421 3.105 1.00 0.00 C ATOM 451 O GLU A 31 5.215 0.348 3.712 1.00 0.00 O ATOM 452 CB GLU A 31 4.452 3.459 4.364 1.00 0.00 C ATOM 453 CG GLU A 31 3.871 2.650 5.525 1.00 0.00 C ATOM 454 CD GLU A 31 2.898 3.519 6.306 1.00 0.00 C ATOM 455 OE1 GLU A 31 3.020 4.728 6.209 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.052 2.972 6.991 1.00 0.00 O ATOM 0 H GLU A 31 5.812 4.426 2.559 1.00 0.00 H new ATOM 0 HA GLU A 31 6.348 2.465 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.769 4.441 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.687 3.624 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.362 1.764 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.672 2.303 6.178 1.00 0.00 H new ATOM 463 N LEU A 32 4.732 1.519 1.855 1.00 0.00 N ATOM 464 CA LEU A 32 4.289 0.332 1.139 1.00 0.00 C ATOM 465 C LEU A 32 5.487 -0.602 0.981 1.00 0.00 C ATOM 466 O LEU A 32 5.375 -1.813 1.177 1.00 0.00 O ATOM 467 CB LEU A 32 3.705 0.713 -0.233 1.00 0.00 C ATOM 468 CG LEU A 32 3.127 -0.539 -0.940 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.684 -0.792 -0.482 1.00 0.00 C ATOM 470 CD2 LEU A 32 3.142 -0.336 -2.455 1.00 0.00 C ATOM 0 H LEU A 32 4.679 2.389 1.325 1.00 0.00 H new ATOM 0 HA LEU A 32 3.500 -0.170 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.922 1.461 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.480 1.163 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 32 3.744 -1.398 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.291 -1.675 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.667 -0.953 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.067 0.072 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.734 -1.220 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.536 0.533 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.167 -0.176 -2.790 1.00 0.00 H new ATOM 482 N ALA A 33 6.635 -0.027 0.632 1.00 0.00 N ATOM 483 CA ALA A 33 7.847 -0.817 0.459 1.00 0.00 C ATOM 484 C ALA A 33 8.119 -1.615 1.728 1.00 0.00 C ATOM 485 O ALA A 33 8.490 -2.788 1.667 1.00 0.00 O ATOM 486 CB ALA A 33 9.030 0.096 0.146 1.00 0.00 C ATOM 0 H ALA A 33 6.750 0.973 0.465 1.00 0.00 H new ATOM 0 HA ALA A 33 7.711 -1.506 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.930 -0.505 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.830 0.649 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.176 0.798 0.967 1.00 0.00 H new ATOM 492 N THR A 34 7.899 -0.990 2.881 1.00 0.00 N ATOM 493 CA THR A 34 8.098 -1.685 4.145 1.00 0.00 C ATOM 494 C THR A 34 7.144 -2.884 4.225 1.00 0.00 C ATOM 495 O THR A 34 7.553 -3.980 4.632 1.00 0.00 O ATOM 496 CB THR A 34 7.884 -0.717 5.330 1.00 0.00 C ATOM 497 OG1 THR A 34 9.037 0.107 5.466 1.00 0.00 O ATOM 498 CG2 THR A 34 7.660 -1.494 6.635 1.00 0.00 C ATOM 0 H THR A 34 7.589 -0.022 2.965 1.00 0.00 H new ATOM 0 HA THR A 34 9.122 -2.053 4.201 1.00 0.00 H new ATOM 0 HB THR A 34 7.002 -0.108 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.910 0.726 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.512 -0.792 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.778 -2.127 6.535 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.531 -2.116 6.842 1.00 0.00 H new ATOM 506 N VAL A 35 5.883 -2.688 3.823 1.00 0.00 N ATOM 507 CA VAL A 35 4.927 -3.795 3.855 1.00 0.00 C ATOM 508 C VAL A 35 5.346 -4.880 2.863 1.00 0.00 C ATOM 509 O VAL A 35 5.404 -6.065 3.203 1.00 0.00 O ATOM 510 CB VAL A 35 3.504 -3.303 3.551 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.577 -4.513 3.365 1.00 0.00 C ATOM 512 CG2 VAL A 35 3.004 -2.467 4.729 1.00 0.00 C ATOM 0 H VAL A 35 5.511 -1.802 3.482 1.00 0.00 H new ATOM 0 HA VAL A 35 4.926 -4.219 4.859 1.00 0.00 H new ATOM 0 HB VAL A 35 3.509 -2.701 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.566 -4.167 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.937 -5.123 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.569 -5.109 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.994 -2.113 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.996 -3.078 5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.665 -1.612 4.875 1.00 0.00 H new ATOM 522 N ILE A 36 5.656 -4.470 1.637 1.00 0.00 N ATOM 523 CA ILE A 36 6.082 -5.415 0.618 1.00 0.00 C ATOM 524 C ILE A 36 7.351 -6.126 1.078 1.00 0.00 C ATOM 525 O ILE A 36 7.508 -7.330 0.880 1.00 0.00 O ATOM 526 CB ILE A 36 6.318 -4.702 -0.720 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.974 -4.194 -1.259 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.941 -5.685 -1.740 1.00 0.00 C ATOM 529 CD1 ILE A 36 5.217 -3.243 -2.434 1.00 0.00 C ATOM 0 H ILE A 36 5.620 -3.498 1.330 1.00 0.00 H new ATOM 0 HA ILE A 36 5.294 -6.153 0.469 1.00 0.00 H new ATOM 0 HB ILE A 36 7.000 -3.865 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.359 -5.034 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.425 -3.680 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.105 -5.171 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.893 -6.052 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.264 -6.525 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.261 -2.884 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.816 -2.396 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.748 -3.771 -3.226 1.00 0.00 H new ATOM 541 N ARG A 37 8.246 -5.374 1.709 1.00 0.00 N ATOM 542 CA ARG A 37 9.491 -5.942 2.213 1.00 0.00 C ATOM 543 C ARG A 37 9.206 -7.124 3.134 1.00 0.00 C ATOM 544 O ARG A 37 9.880 -8.152 3.069 1.00 0.00 O ATOM 545 CB ARG A 37 10.275 -4.875 2.976 1.00 0.00 C ATOM 546 CG ARG A 37 11.588 -5.476 3.473 1.00 0.00 C ATOM 547 CD ARG A 37 12.471 -4.371 4.047 1.00 0.00 C ATOM 548 NE ARG A 37 13.682 -4.938 4.624 1.00 0.00 N ATOM 549 CZ ARG A 37 14.591 -4.162 5.202 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.403 -2.872 5.252 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.667 -4.688 5.720 1.00 0.00 N ATOM 0 H ARG A 37 8.134 -4.375 1.883 1.00 0.00 H new ATOM 0 HA ARG A 37 10.081 -6.292 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.474 -4.021 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.688 -4.507 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.389 -6.230 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.103 -5.979 2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.732 -3.661 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.922 -3.817 4.809 1.00 0.00 H new ATOM 0 HE ARG A 37 13.834 -5.946 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.560 -2.463 4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.099 -2.272 5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.811 -5.697 5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.364 -4.090 6.164 1.00 0.00 H new ATOM 565 N SER A 38 8.202 -6.974 3.981 1.00 0.00 N ATOM 566 CA SER A 38 7.828 -8.042 4.903 1.00 0.00 C ATOM 567 C SER A 38 7.319 -9.260 4.145 1.00 0.00 C ATOM 568 O SER A 38 7.593 -10.398 4.527 1.00 0.00 O ATOM 569 CB SER A 38 6.739 -7.559 5.855 1.00 0.00 C ATOM 570 OG SER A 38 6.442 -8.590 6.788 1.00 0.00 O ATOM 0 H SER A 38 7.632 -6.131 4.052 1.00 0.00 H new ATOM 0 HA SER A 38 8.716 -8.320 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.069 -6.662 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.843 -7.290 5.295 1.00 0.00 H new ATOM 0 HG SER A 38 5.743 -8.283 7.403 1.00 0.00 H new ATOM 576 N LEU A 39 6.548 -9.020 3.088 1.00 0.00 N ATOM 577 CA LEU A 39 5.981 -10.121 2.315 1.00 0.00 C ATOM 578 C LEU A 39 7.054 -10.904 1.548 1.00 0.00 C ATOM 579 O LEU A 39 6.732 -11.599 0.587 1.00 0.00 O ATOM 580 CB LEU A 39 4.948 -9.580 1.325 1.00 0.00 C ATOM 581 CG LEU A 39 3.851 -8.803 2.070 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.863 -8.203 1.057 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.096 -9.744 3.022 1.00 0.00 C ATOM 0 H LEU A 39 6.304 -8.089 2.751 1.00 0.00 H new ATOM 0 HA LEU A 39 5.509 -10.804 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.436 -8.929 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.504 -10.404 0.766 1.00 0.00 H new ATOM 0 HG LEU A 39 4.314 -8.002 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.086 -7.653 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.394 -7.526 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.407 -9.004 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.320 -9.186 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.638 -10.551 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.793 -10.164 3.747 1.00 0.00 H new ATOM 595 N ASP A 40 8.311 -10.798 1.981 1.00 0.00 N ATOM 596 CA ASP A 40 9.424 -11.517 1.332 1.00 0.00 C ATOM 597 C ASP A 40 9.698 -10.991 -0.077 1.00 0.00 C ATOM 598 O ASP A 40 10.340 -11.670 -0.879 1.00 0.00 O ATOM 599 CB ASP A 40 9.130 -13.025 1.235 1.00 0.00 C ATOM 600 CG ASP A 40 8.662 -13.578 2.577 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.968 -12.970 3.592 1.00 0.00 O ATOM 602 OD2 ASP A 40 8.019 -14.613 2.572 1.00 0.00 O ATOM 0 H ASP A 40 8.590 -10.224 2.776 1.00 0.00 H new ATOM 0 HA ASP A 40 10.301 -11.347 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.366 -13.202 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.027 -13.554 0.912 1.00 0.00 H new ATOM 607 N GLN A 41 9.221 -9.786 -0.381 1.00 0.00 N ATOM 608 CA GLN A 41 9.445 -9.200 -1.710 1.00 0.00 C ATOM 609 C GLN A 41 9.859 -7.746 -1.569 1.00 0.00 C ATOM 610 O GLN A 41 9.431 -7.071 -0.644 1.00 0.00 O ATOM 611 CB GLN A 41 8.151 -9.302 -2.551 1.00 0.00 C ATOM 612 CG GLN A 41 8.350 -10.296 -3.699 1.00 0.00 C ATOM 613 CD GLN A 41 8.611 -11.693 -3.142 1.00 0.00 C ATOM 614 OE1 GLN A 41 7.852 -12.180 -2.305 1.00 0.00 O ATOM 615 NE2 GLN A 41 9.650 -12.366 -3.557 1.00 0.00 N ATOM 0 H GLN A 41 8.685 -9.201 0.260 1.00 0.00 H new ATOM 0 HA GLN A 41 10.241 -9.748 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.322 -9.623 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.888 -8.322 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.466 -10.309 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.188 -9.982 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.277 -11.959 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.835 -13.299 -3.187 1.00 0.00 H new ATOM 624 N ASN A 42 10.696 -7.271 -2.487 1.00 0.00 N ATOM 625 CA ASN A 42 11.155 -5.888 -2.436 1.00 0.00 C ATOM 626 C ASN A 42 11.469 -5.362 -3.836 1.00 0.00 C ATOM 627 O ASN A 42 12.635 -5.166 -4.181 1.00 0.00 O ATOM 628 CB ASN A 42 12.409 -5.790 -1.561 1.00 0.00 C ATOM 629 CG ASN A 42 12.771 -4.325 -1.338 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.307 -3.452 -2.071 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.579 -4.003 -0.364 1.00 0.00 N ATOM 0 H ASN A 42 11.066 -7.816 -3.266 1.00 0.00 H new ATOM 0 HA ASN A 42 10.357 -5.280 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.235 -6.281 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.239 -6.310 -2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.827 -3.026 -0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.962 -4.729 0.242 1.00 0.00 H new ATOM 638 N PRO A 43 10.459 -5.110 -4.630 1.00 0.00 N ATOM 639 CA PRO A 43 10.632 -4.565 -6.011 1.00 0.00 C ATOM 640 C PRO A 43 11.261 -3.171 -5.976 1.00 0.00 C ATOM 641 O PRO A 43 11.337 -2.546 -4.916 1.00 0.00 O ATOM 642 CB PRO A 43 9.200 -4.523 -6.581 1.00 0.00 C ATOM 643 CG PRO A 43 8.395 -5.419 -5.694 1.00 0.00 C ATOM 644 CD PRO A 43 9.038 -5.325 -4.313 1.00 0.00 C ATOM 0 HA PRO A 43 11.301 -5.172 -6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.805 -3.507 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.178 -4.869 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.352 -5.103 -5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.406 -6.445 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.625 -4.502 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.886 -6.235 -3.733 1.00 0.00 H new ATOM 652 N THR A 44 11.706 -2.681 -7.129 1.00 0.00 N ATOM 653 CA THR A 44 12.312 -1.360 -7.190 1.00 0.00 C ATOM 654 C THR A 44 11.226 -0.299 -7.295 1.00 0.00 C ATOM 655 O THR A 44 10.130 -0.572 -7.790 1.00 0.00 O ATOM 656 CB THR A 44 13.226 -1.274 -8.418 1.00 0.00 C ATOM 657 OG1 THR A 44 12.526 -1.760 -9.558 1.00 0.00 O ATOM 658 CG2 THR A 44 14.476 -2.124 -8.194 1.00 0.00 C ATOM 0 H THR A 44 11.659 -3.173 -8.021 1.00 0.00 H new ATOM 0 HA THR A 44 12.896 -1.191 -6.285 1.00 0.00 H new ATOM 0 HB THR A 44 13.520 -0.236 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.106 -1.705 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.122 -2.059 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.013 -1.758 -7.319 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.186 -3.162 -8.033 1.00 0.00 H new ATOM 666 N GLU A 45 11.532 0.909 -6.824 1.00 0.00 N ATOM 667 CA GLU A 45 10.559 2.006 -6.874 1.00 0.00 C ATOM 668 C GLU A 45 9.771 1.951 -8.182 1.00 0.00 C ATOM 669 O GLU A 45 8.549 2.089 -8.190 1.00 0.00 O ATOM 670 CB GLU A 45 11.271 3.357 -6.761 1.00 0.00 C ATOM 671 CG GLU A 45 11.826 3.533 -5.346 1.00 0.00 C ATOM 672 CD GLU A 45 10.681 3.675 -4.350 1.00 0.00 C ATOM 673 OE1 GLU A 45 9.583 3.991 -4.781 1.00 0.00 O ATOM 674 OE2 GLU A 45 10.913 3.457 -3.172 1.00 0.00 O ATOM 0 H GLU A 45 12.431 1.154 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 45 9.872 1.895 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.080 3.414 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.577 4.165 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.446 2.676 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.466 4.414 -5.305 1.00 0.00 H new ATOM 681 N GLU A 46 10.485 1.745 -9.282 1.00 0.00 N ATOM 682 CA GLU A 46 9.854 1.671 -10.595 1.00 0.00 C ATOM 683 C GLU A 46 8.630 0.756 -10.555 1.00 0.00 C ATOM 684 O GLU A 46 7.528 1.168 -10.917 1.00 0.00 O ATOM 685 CB GLU A 46 10.861 1.144 -11.639 1.00 0.00 C ATOM 686 CG GLU A 46 12.290 1.464 -11.199 1.00 0.00 C ATOM 687 CD GLU A 46 12.415 2.946 -10.865 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.983 3.752 -11.673 1.00 0.00 O ATOM 689 OE2 GLU A 46 12.940 3.255 -9.807 1.00 0.00 O ATOM 0 H GLU A 46 11.498 1.626 -9.292 1.00 0.00 H new ATOM 0 HA GLU A 46 9.533 2.674 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.742 0.067 -11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.661 1.597 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.554 0.863 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.990 1.201 -11.992 1.00 0.00 H new ATOM 696 N GLU A 47 8.830 -0.484 -10.117 1.00 0.00 N ATOM 697 CA GLU A 47 7.727 -1.432 -10.049 1.00 0.00 C ATOM 698 C GLU A 47 6.640 -0.909 -9.119 1.00 0.00 C ATOM 699 O GLU A 47 5.455 -1.018 -9.423 1.00 0.00 O ATOM 700 CB GLU A 47 8.232 -2.790 -9.566 1.00 0.00 C ATOM 701 CG GLU A 47 9.101 -3.432 -10.650 1.00 0.00 C ATOM 702 CD GLU A 47 9.652 -4.763 -10.150 1.00 0.00 C ATOM 703 OE1 GLU A 47 8.854 -5.629 -9.831 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.863 -4.893 -10.085 1.00 0.00 O ATOM 0 H GLU A 47 9.731 -0.850 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 47 7.303 -1.551 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.808 -2.669 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.389 -3.439 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.513 -3.588 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.921 -2.765 -10.914 1.00 0.00 H new ATOM 711 N LEU A 48 7.045 -0.329 -7.996 1.00 0.00 N ATOM 712 CA LEU A 48 6.079 0.217 -7.050 1.00 0.00 C ATOM 713 C LEU A 48 5.264 1.324 -7.715 1.00 0.00 C ATOM 714 O LEU A 48 4.050 1.393 -7.550 1.00 0.00 O ATOM 715 CB LEU A 48 6.822 0.767 -5.818 1.00 0.00 C ATOM 716 CG LEU A 48 6.968 -0.323 -4.752 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.735 -1.509 -5.331 1.00 0.00 C ATOM 718 CD2 LEU A 48 7.727 0.243 -3.552 1.00 0.00 C ATOM 0 H LEU A 48 8.021 -0.225 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 48 5.397 -0.572 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.806 1.131 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.277 1.617 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 48 5.980 -0.656 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.837 -2.283 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.192 -1.911 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.724 -1.182 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.833 -0.530 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.715 0.576 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.175 1.087 -3.138 1.00 0.00 H new ATOM 730 N GLN A 49 5.934 2.175 -8.474 1.00 0.00 N ATOM 731 CA GLN A 49 5.242 3.258 -9.156 1.00 0.00 C ATOM 732 C GLN A 49 4.281 2.696 -10.202 1.00 0.00 C ATOM 733 O GLN A 49 3.095 3.026 -10.205 1.00 0.00 O ATOM 734 CB GLN A 49 6.257 4.194 -9.817 1.00 0.00 C ATOM 735 CG GLN A 49 5.519 5.325 -10.534 1.00 0.00 C ATOM 736 CD GLN A 49 6.515 6.364 -11.036 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.721 6.216 -10.835 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.081 7.413 -11.679 1.00 0.00 N ATOM 0 H GLN A 49 6.941 2.140 -8.633 1.00 0.00 H new ATOM 0 HA GLN A 49 4.666 3.824 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.931 4.605 -9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.871 3.639 -10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.947 4.924 -11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.805 5.792 -9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.082 7.533 -11.844 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.741 8.113 -12.017 1.00 0.00 H new ATOM 747 N ASP A 50 4.795 1.856 -11.095 1.00 0.00 N ATOM 748 CA ASP A 50 3.961 1.271 -12.141 1.00 0.00 C ATOM 749 C ASP A 50 2.812 0.475 -11.527 1.00 0.00 C ATOM 750 O ASP A 50 1.688 0.509 -12.026 1.00 0.00 O ATOM 751 CB ASP A 50 4.802 0.356 -13.035 1.00 0.00 C ATOM 752 CG ASP A 50 3.914 -0.314 -14.079 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.780 0.112 -14.225 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.381 -1.242 -14.718 1.00 0.00 O ATOM 0 H ASP A 50 5.773 1.567 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 50 3.547 2.080 -12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.584 0.934 -13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.299 -0.401 -12.429 1.00 0.00 H new ATOM 759 N MET A 51 3.092 -0.219 -10.427 1.00 0.00 N ATOM 760 CA MET A 51 2.052 -0.989 -9.752 1.00 0.00 C ATOM 761 C MET A 51 1.086 -0.042 -9.049 1.00 0.00 C ATOM 762 O MET A 51 -0.131 -0.161 -9.195 1.00 0.00 O ATOM 763 CB MET A 51 2.674 -1.963 -8.741 1.00 0.00 C ATOM 764 CG MET A 51 3.173 -3.222 -9.465 1.00 0.00 C ATOM 765 SD MET A 51 4.017 -2.757 -11.007 1.00 0.00 S ATOM 766 CE MET A 51 2.922 -3.619 -12.165 1.00 0.00 C ATOM 0 H MET A 51 4.013 -0.264 -9.991 1.00 0.00 H new ATOM 0 HA MET A 51 1.505 -1.570 -10.494 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.501 -1.481 -8.220 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.937 -2.236 -7.985 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.855 -3.776 -8.820 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.334 -3.882 -9.684 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.330 -3.547 -13.173 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.843 -4.668 -11.879 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.933 -3.161 -12.140 1.00 0.00 H new ATOM 776 N ILE A 52 1.633 0.913 -8.303 1.00 0.00 N ATOM 777 CA ILE A 52 0.794 1.879 -7.609 1.00 0.00 C ATOM 778 C ILE A 52 0.018 2.704 -8.625 1.00 0.00 C ATOM 779 O ILE A 52 -1.183 2.916 -8.472 1.00 0.00 O ATOM 780 CB ILE A 52 1.650 2.793 -6.723 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.168 1.992 -5.526 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.808 3.973 -6.216 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.308 2.758 -4.856 1.00 0.00 C ATOM 0 H ILE A 52 2.636 1.037 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 52 0.091 1.345 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 52 2.488 3.176 -7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.362 1.821 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.517 1.013 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.424 4.616 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.435 4.545 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.033 3.596 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.677 2.188 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.117 2.906 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.944 3.727 -4.515 1.00 0.00 H new ATOM 795 N SER A 53 0.704 3.144 -9.671 1.00 0.00 N ATOM 796 CA SER A 53 0.050 3.930 -10.706 1.00 0.00 C ATOM 797 C SER A 53 -1.115 3.137 -11.289 1.00 0.00 C ATOM 798 O SER A 53 -2.207 3.670 -11.477 1.00 0.00 O ATOM 799 CB SER A 53 1.052 4.280 -11.807 1.00 0.00 C ATOM 800 OG SER A 53 2.076 5.104 -11.262 1.00 0.00 O ATOM 0 H SER A 53 1.698 2.973 -9.824 1.00 0.00 H new ATOM 0 HA SER A 53 -0.329 4.855 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.484 3.371 -12.225 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.548 4.798 -12.623 1.00 0.00 H new ATOM 0 HG SER A 53 2.817 4.543 -10.952 1.00 0.00 H new ATOM 806 N GLU A 54 -0.873 1.863 -11.582 1.00 0.00 N ATOM 807 CA GLU A 54 -1.911 1.012 -12.152 1.00 0.00 C ATOM 808 C GLU A 54 -3.229 1.190 -11.396 1.00 0.00 C ATOM 809 O GLU A 54 -4.305 1.025 -11.971 1.00 0.00 O ATOM 810 CB GLU A 54 -1.476 -0.458 -12.093 1.00 0.00 C ATOM 811 CG GLU A 54 -2.438 -1.311 -12.928 1.00 0.00 C ATOM 812 CD GLU A 54 -2.189 -1.076 -14.414 1.00 0.00 C ATOM 813 OE1 GLU A 54 -1.225 -0.398 -14.733 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.962 -1.580 -15.212 1.00 0.00 O ATOM 0 H GLU A 54 0.024 1.401 -11.436 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.062 1.303 -13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.459 -0.563 -12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.469 -0.805 -11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.301 -2.366 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.469 -1.059 -12.680 1.00 0.00 H new ATOM 821 N VAL A 55 -3.148 1.520 -10.102 1.00 0.00 N ATOM 822 CA VAL A 55 -4.353 1.709 -9.281 1.00 0.00 C ATOM 823 C VAL A 55 -4.524 3.160 -8.854 1.00 0.00 C ATOM 824 O VAL A 55 -5.649 3.608 -8.641 1.00 0.00 O ATOM 825 CB VAL A 55 -4.285 0.825 -8.036 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.976 1.082 -7.292 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.470 1.136 -7.115 1.00 0.00 C ATOM 0 H VAL A 55 -2.270 1.661 -9.603 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.210 1.428 -9.893 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.328 -0.222 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.931 0.450 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.135 0.851 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.926 2.129 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.418 0.504 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.433 2.184 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.403 0.942 -7.644 1.00 0.00 H new ATOM 837 N ASP A 56 -3.424 3.890 -8.709 1.00 0.00 N ATOM 838 CA ASP A 56 -3.528 5.273 -8.288 1.00 0.00 C ATOM 839 C ASP A 56 -4.348 6.031 -9.325 1.00 0.00 C ATOM 840 O ASP A 56 -3.808 6.686 -10.217 1.00 0.00 O ATOM 841 CB ASP A 56 -2.124 5.896 -8.129 1.00 0.00 C ATOM 842 CG ASP A 56 -2.128 6.956 -7.030 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.203 7.334 -6.603 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.053 7.370 -6.630 1.00 0.00 O ATOM 0 H ASP A 56 -2.475 3.554 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.023 5.333 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.400 5.118 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.810 6.343 -9.072 1.00 0.00 H new ATOM 849 N ALA A 57 -5.659 5.914 -9.204 1.00 0.00 N ATOM 850 CA ALA A 57 -6.557 6.572 -10.142 1.00 0.00 C ATOM 851 C ALA A 57 -6.350 8.079 -10.107 1.00 0.00 C ATOM 852 O ALA A 57 -6.455 8.754 -11.131 1.00 0.00 O ATOM 853 CB ALA A 57 -8.015 6.255 -9.801 1.00 0.00 C ATOM 0 H ALA A 57 -6.124 5.375 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.333 6.200 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.672 6.755 -10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.175 5.178 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.237 6.606 -8.793 1.00 0.00 H new ATOM 859 N ASP A 58 -6.077 8.604 -8.919 1.00 0.00 N ATOM 860 CA ASP A 58 -5.878 10.044 -8.752 1.00 0.00 C ATOM 861 C ASP A 58 -4.406 10.432 -8.876 1.00 0.00 C ATOM 862 O ASP A 58 -4.087 11.590 -9.145 1.00 0.00 O ATOM 863 CB ASP A 58 -6.418 10.471 -7.389 1.00 0.00 C ATOM 864 CG ASP A 58 -5.950 9.492 -6.322 1.00 0.00 C ATOM 865 OD1 ASP A 58 -4.903 8.897 -6.507 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.643 9.354 -5.331 1.00 0.00 O ATOM 0 H ASP A 58 -5.988 8.061 -8.060 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.419 10.558 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.073 11.477 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.507 10.504 -7.413 1.00 0.00 H new ATOM 871 N GLY A 59 -3.513 9.470 -8.676 1.00 0.00 N ATOM 872 CA GLY A 59 -2.081 9.748 -8.776 1.00 0.00 C ATOM 873 C GLY A 59 -1.636 10.741 -7.707 1.00 0.00 C ATOM 874 O GLY A 59 -1.303 11.881 -8.022 1.00 0.00 O ATOM 0 H GLY A 59 -3.747 8.504 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.519 8.820 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.854 10.147 -9.764 1.00 0.00 H new ATOM 878 N ASN A 60 -1.637 10.313 -6.438 1.00 0.00 N ATOM 879 CA ASN A 60 -1.230 11.203 -5.341 1.00 0.00 C ATOM 880 C ASN A 60 0.110 10.778 -4.746 1.00 0.00 C ATOM 881 O ASN A 60 0.696 11.515 -3.954 1.00 0.00 O ATOM 882 CB ASN A 60 -2.286 11.187 -4.238 1.00 0.00 C ATOM 883 CG ASN A 60 -3.673 11.317 -4.845 1.00 0.00 C ATOM 884 OD1 ASN A 60 -4.593 10.612 -4.431 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.880 12.177 -5.807 1.00 0.00 N ATOM 0 H ASN A 60 -1.910 9.374 -6.148 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.128 12.207 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.215 10.260 -3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.107 12.005 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.809 12.267 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.113 12.758 -6.145 1.00 0.00 H new ATOM 892 N GLY A 61 0.585 9.585 -5.103 1.00 0.00 N ATOM 893 CA GLY A 61 1.853 9.085 -4.565 1.00 0.00 C ATOM 894 C GLY A 61 1.605 8.231 -3.320 1.00 0.00 C ATOM 895 O GLY A 61 2.542 7.770 -2.674 1.00 0.00 O ATOM 0 H GLY A 61 0.119 8.953 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.369 8.494 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.505 9.922 -4.315 1.00 0.00 H new ATOM 899 N THR A 62 0.331 8.026 -2.999 1.00 0.00 N ATOM 900 CA THR A 62 -0.065 7.226 -1.840 1.00 0.00 C ATOM 901 C THR A 62 -1.253 6.338 -2.205 1.00 0.00 C ATOM 902 O THR A 62 -1.854 6.497 -3.272 1.00 0.00 O ATOM 903 CB THR A 62 -0.448 8.139 -0.671 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.689 8.770 -0.953 1.00 0.00 O ATOM 905 CG2 THR A 62 0.633 9.203 -0.474 1.00 0.00 C ATOM 0 H THR A 62 -0.453 8.406 -3.530 1.00 0.00 H new ATOM 0 HA THR A 62 0.777 6.601 -1.542 1.00 0.00 H new ATOM 0 HB THR A 62 -0.539 7.545 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.937 9.353 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.358 9.851 0.358 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.585 8.719 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.727 9.799 -1.382 1.00 0.00 H new ATOM 913 N ILE A 63 -1.603 5.418 -1.306 1.00 0.00 N ATOM 914 CA ILE A 63 -2.736 4.515 -1.531 1.00 0.00 C ATOM 915 C ILE A 63 -3.778 4.702 -0.435 1.00 0.00 C ATOM 916 O ILE A 63 -3.458 4.643 0.753 1.00 0.00 O ATOM 917 CB ILE A 63 -2.261 3.054 -1.526 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.970 2.928 -2.341 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.340 2.159 -2.149 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.626 1.444 -2.530 1.00 0.00 C ATOM 0 H ILE A 63 -1.122 5.277 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.176 4.750 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.076 2.742 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.091 3.410 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.154 3.439 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.001 1.123 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.260 2.242 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.527 2.475 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.293 1.354 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.487 0.976 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.439 0.947 -3.059 1.00 0.00 H new ATOM 932 N GLU A 64 -5.031 4.928 -0.833 1.00 0.00 N ATOM 933 CA GLU A 64 -6.117 5.119 0.133 1.00 0.00 C ATOM 934 C GLU A 64 -6.985 3.863 0.196 1.00 0.00 C ATOM 935 O GLU A 64 -6.760 2.906 -0.545 1.00 0.00 O ATOM 936 CB GLU A 64 -6.970 6.324 -0.269 1.00 0.00 C ATOM 937 CG GLU A 64 -6.154 7.610 -0.094 1.00 0.00 C ATOM 938 CD GLU A 64 -6.948 8.807 -0.609 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.074 8.606 -1.034 1.00 0.00 O ATOM 940 OE2 GLU A 64 -6.418 9.904 -0.573 1.00 0.00 O ATOM 0 H GLU A 64 -5.319 4.983 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.687 5.303 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.294 6.224 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.871 6.366 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.906 7.753 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.211 7.529 -0.635 1.00 0.00 H new ATOM 947 N PHE A 65 -7.960 3.857 1.102 1.00 0.00 N ATOM 948 CA PHE A 65 -8.820 2.688 1.253 1.00 0.00 C ATOM 949 C PHE A 65 -9.504 2.348 -0.070 1.00 0.00 C ATOM 950 O PHE A 65 -9.403 1.218 -0.551 1.00 0.00 O ATOM 951 CB PHE A 65 -9.880 2.948 2.334 1.00 0.00 C ATOM 952 CG PHE A 65 -10.920 1.844 2.322 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.673 0.640 2.993 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.128 2.028 1.634 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.634 -0.380 2.981 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.087 1.007 1.621 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.840 -0.196 2.294 1.00 0.00 C ATOM 0 H PHE A 65 -8.171 4.632 1.731 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.200 1.843 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.406 3.000 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.359 3.911 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.741 0.497 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.319 2.956 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.444 -1.307 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.018 1.148 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.580 -0.982 2.283 1.00 0.00 H new ATOM 967 N ASP A 66 -10.201 3.315 -0.659 1.00 0.00 N ATOM 968 CA ASP A 66 -10.888 3.070 -1.919 1.00 0.00 C ATOM 969 C ASP A 66 -9.912 2.519 -2.948 1.00 0.00 C ATOM 970 O ASP A 66 -10.205 1.541 -3.636 1.00 0.00 O ATOM 971 CB ASP A 66 -11.510 4.369 -2.437 1.00 0.00 C ATOM 972 CG ASP A 66 -10.443 5.454 -2.547 1.00 0.00 C ATOM 973 OD1 ASP A 66 -9.364 5.251 -2.013 1.00 0.00 O ATOM 974 OD2 ASP A 66 -10.723 6.472 -3.156 1.00 0.00 O ATOM 0 H ASP A 66 -10.304 4.260 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.678 2.338 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.968 4.199 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.303 4.695 -1.764 1.00 0.00 H new ATOM 979 N GLU A 67 -8.748 3.144 -3.038 1.00 0.00 N ATOM 980 CA GLU A 67 -7.733 2.696 -3.978 1.00 0.00 C ATOM 981 C GLU A 67 -7.263 1.294 -3.604 1.00 0.00 C ATOM 982 O GLU A 67 -7.081 0.437 -4.467 1.00 0.00 O ATOM 983 CB GLU A 67 -6.552 3.667 -3.968 1.00 0.00 C ATOM 984 CG GLU A 67 -6.996 5.013 -4.542 1.00 0.00 C ATOM 985 CD GLU A 67 -5.850 6.017 -4.469 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.823 5.685 -3.900 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.022 7.111 -4.975 1.00 0.00 O ATOM 0 H GLU A 67 -8.485 3.955 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.160 2.669 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.183 3.797 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.729 3.262 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.315 4.888 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.855 5.389 -3.986 1.00 0.00 H new ATOM 994 N PHE A 68 -7.077 1.067 -2.308 1.00 0.00 N ATOM 995 CA PHE A 68 -6.639 -0.236 -1.824 1.00 0.00 C ATOM 996 C PHE A 68 -7.688 -1.300 -2.142 1.00 0.00 C ATOM 997 O PHE A 68 -7.351 -2.433 -2.487 1.00 0.00 O ATOM 998 CB PHE A 68 -6.393 -0.190 -0.318 1.00 0.00 C ATOM 999 CG PHE A 68 -5.740 -1.483 0.124 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.410 -1.754 -0.229 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.460 -2.408 0.887 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.806 -2.950 0.183 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.856 -3.600 1.299 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.531 -3.871 0.946 1.00 0.00 C ATOM 0 H PHE A 68 -7.222 1.764 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.707 -0.493 -2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.754 0.657 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.335 -0.046 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.851 -1.042 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.485 -2.201 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.782 -3.160 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.413 -4.311 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.066 -4.793 1.263 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.963 -0.928 -2.035 1.00 0.00 N ATOM 1015 CA LEU A 69 -10.045 -1.861 -2.329 1.00 0.00 C ATOM 1016 C LEU A 69 -9.996 -2.284 -3.794 1.00 0.00 C ATOM 1017 O LEU A 69 -10.158 -3.461 -4.116 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.403 -1.196 -2.005 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.568 -2.064 -2.519 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.470 -3.468 -1.923 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.912 -1.433 -2.121 1.00 0.00 C ATOM 0 H LEU A 69 -9.268 0.003 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.928 -2.752 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.496 -1.053 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.449 -0.208 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.508 -2.125 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.296 -4.077 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.524 -3.923 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.520 -3.406 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.729 -2.054 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.972 -1.360 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.989 -0.437 -2.556 1.00 0.00 H new ATOM 1033 N SER A 70 -9.767 -1.321 -4.676 1.00 0.00 N ATOM 1034 CA SER A 70 -9.690 -1.623 -6.099 1.00 0.00 C ATOM 1035 C SER A 70 -8.480 -2.509 -6.382 1.00 0.00 C ATOM 1036 O SER A 70 -8.572 -3.463 -7.145 1.00 0.00 O ATOM 1037 CB SER A 70 -9.595 -0.333 -6.911 1.00 0.00 C ATOM 1038 OG SER A 70 -10.835 0.358 -6.839 1.00 0.00 O ATOM 0 H SER A 70 -9.633 -0.338 -4.437 1.00 0.00 H new ATOM 0 HA SER A 70 -10.595 -2.155 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.792 0.295 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.351 -0.560 -7.949 1.00 0.00 H new ATOM 0 HG SER A 70 -10.778 1.188 -7.358 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.340 -2.161 -5.791 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.116 -2.911 -6.034 1.00 0.00 C ATOM 1046 C LEU A 71 -6.318 -4.389 -5.691 1.00 0.00 C ATOM 1047 O LEU A 71 -5.935 -5.273 -6.468 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.973 -2.332 -5.158 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.637 -2.391 -5.917 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.501 -1.881 -5.025 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -3.345 -3.831 -6.349 1.00 0.00 C ATOM 0 H LEU A 71 -7.240 -1.375 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.855 -2.826 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.200 -1.301 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.896 -2.896 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.708 -1.757 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.560 -1.927 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.702 -0.850 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.432 -2.503 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.397 -3.865 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.286 -4.470 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.144 -4.184 -7.001 1.00 0.00 H new ATOM 1063 N MET A 72 -6.931 -4.649 -4.543 1.00 0.00 N ATOM 1064 CA MET A 72 -7.171 -6.023 -4.137 1.00 0.00 C ATOM 1065 C MET A 72 -8.159 -6.687 -5.096 1.00 0.00 C ATOM 1066 O MET A 72 -7.905 -7.776 -5.609 1.00 0.00 O ATOM 1067 CB MET A 72 -7.724 -6.055 -2.709 1.00 0.00 C ATOM 1068 CG MET A 72 -6.608 -5.779 -1.692 1.00 0.00 C ATOM 1069 SD MET A 72 -7.253 -5.990 -0.012 1.00 0.00 S ATOM 1070 CE MET A 72 -7.029 -7.783 0.095 1.00 0.00 C ATOM 0 H MET A 72 -7.264 -3.940 -3.890 1.00 0.00 H new ATOM 0 HA MET A 72 -6.229 -6.571 -4.165 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.513 -5.311 -2.602 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.174 -7.028 -2.509 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.773 -6.459 -1.860 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.226 -4.766 -1.822 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.268 -8.120 1.104 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.690 -8.275 -0.618 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.994 -8.035 -0.136 1.00 0.00 H new ATOM 1080 N ALA A 73 -9.273 -6.017 -5.355 1.00 0.00 N ATOM 1081 CA ALA A 73 -10.272 -6.550 -6.272 1.00 0.00 C ATOM 1082 C ALA A 73 -9.699 -6.653 -7.688 1.00 0.00 C ATOM 1083 O ALA A 73 -10.026 -7.584 -8.424 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.511 -5.655 -6.285 1.00 0.00 C ATOM 0 H ALA A 73 -9.507 -5.112 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.553 -7.546 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.249 -6.065 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.937 -5.609 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.232 -4.652 -6.607 1.00 0.00 H new ATOM 1090 N LYS A 74 -8.838 -5.701 -8.060 1.00 0.00 N ATOM 1091 CA LYS A 74 -8.228 -5.701 -9.384 1.00 0.00 C ATOM 1092 C LYS A 74 -7.367 -6.950 -9.574 1.00 0.00 C ATOM 1093 O LYS A 74 -7.252 -7.463 -10.688 1.00 0.00 O ATOM 1094 CB LYS A 74 -7.384 -4.434 -9.570 1.00 0.00 C ATOM 1095 CG LYS A 74 -6.839 -4.350 -11.007 1.00 0.00 C ATOM 1096 CD LYS A 74 -6.057 -3.036 -11.188 1.00 0.00 C ATOM 1097 CE LYS A 74 -7.018 -1.911 -11.582 1.00 0.00 C ATOM 1098 NZ LYS A 74 -6.260 -0.646 -11.745 1.00 0.00 N ATOM 0 H LYS A 74 -8.551 -4.925 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.017 -5.711 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.988 -3.553 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.556 -4.435 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.190 -5.202 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.661 -4.397 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.541 -2.779 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.293 -3.160 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.529 -2.164 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.787 -1.791 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.645 0.075 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.258 -0.810 -11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.345 -0.314 -12.727 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.775 -7.440 -8.488 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.948 -8.644 -8.572 1.00 0.00 C ATOM 1114 C LYS A 75 -6.825 -9.882 -8.489 1.00 0.00 C ATOM 1115 O LYS A 75 -6.559 -10.893 -9.141 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.900 -8.655 -7.457 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.989 -9.877 -7.619 1.00 0.00 C ATOM 1118 CD LYS A 75 -2.900 -9.853 -6.543 1.00 0.00 C ATOM 1119 CE LYS A 75 -1.983 -11.067 -6.713 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.940 -11.053 -5.649 1.00 0.00 N ATOM 0 H LYS A 75 -6.849 -7.033 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.427 -8.645 -9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.308 -7.740 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.390 -8.681 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.574 -10.793 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.535 -9.876 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.320 -8.933 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.354 -9.863 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.565 -11.987 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.515 -11.048 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.316 -11.877 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.379 -10.181 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.396 -11.091 -4.715 1.00 0.00 H new ATOM 1134 N VAL A 76 -7.880 -9.797 -7.685 1.00 0.00 N ATOM 1135 CA VAL A 76 -8.803 -10.916 -7.522 1.00 0.00 C ATOM 1136 C VAL A 76 -10.041 -10.709 -8.387 1.00 0.00 C ATOM 1137 O VAL A 76 -11.066 -11.356 -8.185 1.00 0.00 O ATOM 1138 CB VAL A 76 -9.228 -11.049 -6.051 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -10.063 -12.338 -5.857 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -7.978 -11.111 -5.171 1.00 0.00 C ATOM 0 H VAL A 76 -8.117 -8.969 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.293 -11.828 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.835 -10.188 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.360 -12.425 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.953 -12.293 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.465 -13.205 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.273 -11.205 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.374 -11.972 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.395 -10.199 -5.302 1.00 0.00 H new ATOM 1150 N LYS A 77 -9.952 -9.812 -9.355 1.00 0.00 N ATOM 1151 CA LYS A 77 -11.085 -9.550 -10.224 1.00 0.00 C ATOM 1152 C LYS A 77 -11.502 -10.830 -10.942 1.00 0.00 C ATOM 1153 O LYS A 77 -12.682 -11.034 -11.233 1.00 0.00 O ATOM 1154 CB LYS A 77 -10.717 -8.470 -11.249 1.00 0.00 C ATOM 1155 CG LYS A 77 -11.945 -8.053 -12.074 1.00 0.00 C ATOM 1156 CD LYS A 77 -12.830 -7.107 -11.255 1.00 0.00 C ATOM 1157 CE LYS A 77 -13.912 -6.509 -12.145 1.00 0.00 C ATOM 1158 NZ LYS A 77 -14.848 -5.712 -11.303 1.00 0.00 N ATOM 0 H LYS A 77 -9.118 -9.260 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.921 -9.197 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.307 -7.600 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.938 -8.844 -11.913 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.626 -7.561 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.514 -8.936 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.287 -7.648 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.223 -6.312 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.463 -5.876 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.453 -7.301 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.590 -5.300 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.284 -6.330 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.324 -4.949 -10.828 1.00 0.00 H new ATOM 1172 N ASP A 78 -10.531 -11.681 -11.243 1.00 0.00 N ATOM 1173 CA ASP A 78 -10.830 -12.919 -11.943 1.00 0.00 C ATOM 1174 C ASP A 78 -11.871 -13.732 -11.183 1.00 0.00 C ATOM 1175 O ASP A 78 -12.903 -14.101 -11.741 1.00 0.00 O ATOM 1176 CB ASP A 78 -9.554 -13.738 -12.112 1.00 0.00 C ATOM 1177 CG ASP A 78 -9.838 -14.972 -12.956 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -10.998 -15.207 -13.256 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -8.891 -15.663 -13.295 1.00 0.00 O ATOM 0 H ASP A 78 -9.546 -11.540 -11.018 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.235 -12.672 -12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.783 -13.132 -12.587 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.170 -14.035 -11.136 1.00 0.00 H new ATOM 1184 N THR A 79 -11.604 -14.002 -9.910 1.00 0.00 N ATOM 1185 CA THR A 79 -12.541 -14.767 -9.094 1.00 0.00 C ATOM 1186 C THR A 79 -12.837 -16.118 -9.739 1.00 0.00 C ATOM 1187 O THR A 79 -12.212 -17.091 -9.346 1.00 0.00 O ATOM 1188 CB THR A 79 -13.840 -13.969 -8.922 1.00 0.00 C ATOM 1189 OG1 THR A 79 -13.538 -12.700 -8.358 1.00 0.00 O ATOM 1190 CG2 THR A 79 -14.801 -14.721 -7.999 1.00 0.00 C ATOM 1191 OXT THR A 79 -13.682 -16.162 -10.619 1.00 0.00 O ATOM 0 H THR A 79 -10.757 -13.707 -9.425 1.00 0.00 H new ATOM 0 HA THR A 79 -12.093 -14.946 -8.116 1.00 0.00 H new ATOM 0 HB THR A 79 -14.313 -13.839 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.566 -12.580 -8.325 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.720 -14.146 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.034 -15.694 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.335 -14.860 -7.023 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 0.860 5.286 6.838 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.607 8.156 -4.215 1.00 0.00 CA