USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 103:sc= 0.0876! USER MOD Single : A 8 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.4!) 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 -88:sc= -0.801 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.83) USER MOD Single : A 42 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.46) USER MOD Single : A 51 MET CE :methyl 159:sc= -0.0868 (180deg=-1.28!) USER MOD Single : A 53 SER OG : rot 75:sc= 1.12 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 146:sc= 0 (180deg=-0.0307) USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.0981 (180deg=-0.824) USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= -1.63 (180deg=-4.21!) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -1.95 (180deg=-2.12) USER MOD Single : A 79 THR OG1 : rot -56:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -28.448 -13.345 -3.258 1.00 0.00 N ATOM 2 CA ALA A 1 -27.132 -14.022 -3.439 1.00 0.00 C ATOM 3 C ALA A 1 -26.246 -13.179 -4.351 1.00 0.00 C ATOM 4 O ALA A 1 -26.000 -13.544 -5.500 1.00 0.00 O ATOM 5 CB ALA A 1 -27.356 -15.402 -4.061 1.00 0.00 C ATOM 0 H1 ALA A 1 -29.052 -13.920 -2.636 1.00 0.00 H new ATOM 0 H2 ALA A 1 -28.301 -12.409 -2.829 1.00 0.00 H new ATOM 0 H3 ALA A 1 -28.911 -13.233 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 1 -26.641 -14.137 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -26.396 -15.901 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.987 -16.000 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -27.845 -15.290 -5.029 1.00 0.00 H new ATOM 13 N ASP A 2 -25.769 -12.047 -3.832 1.00 0.00 N ATOM 14 CA ASP A 2 -24.907 -11.156 -4.612 1.00 0.00 C ATOM 15 C ASP A 2 -23.858 -10.501 -3.722 1.00 0.00 C ATOM 16 O ASP A 2 -24.147 -10.121 -2.588 1.00 0.00 O ATOM 17 CB ASP A 2 -25.750 -10.066 -5.274 1.00 0.00 C ATOM 18 CG ASP A 2 -26.656 -10.682 -6.333 1.00 0.00 C ATOM 19 OD1 ASP A 2 -26.158 -11.459 -7.130 1.00 0.00 O ATOM 20 OD2 ASP A 2 -27.834 -10.364 -6.334 1.00 0.00 O ATOM 0 H ASP A 2 -25.962 -11.727 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.404 -11.752 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -26.351 -9.552 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -25.101 -9.318 -5.729 1.00 0.00 H new ATOM 25 N ILE A 3 -22.641 -10.367 -4.248 1.00 0.00 N ATOM 26 CA ILE A 3 -21.549 -9.745 -3.503 1.00 0.00 C ATOM 27 C ILE A 3 -21.305 -10.482 -2.189 1.00 0.00 C ATOM 28 O ILE A 3 -22.237 -10.973 -1.552 1.00 0.00 O ATOM 29 CB ILE A 3 -21.881 -8.273 -3.230 1.00 0.00 C ATOM 30 CG1 ILE A 3 -21.995 -7.529 -4.565 1.00 0.00 C ATOM 31 CG2 ILE A 3 -20.775 -7.635 -2.381 1.00 0.00 C ATOM 32 CD1 ILE A 3 -22.626 -6.153 -4.330 1.00 0.00 C ATOM 0 H ILE A 3 -22.388 -10.680 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 3 -20.640 -9.803 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 3 -22.825 -8.209 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -21.009 -7.417 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -22.602 -8.105 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.019 -6.590 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.693 -8.166 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.826 -7.696 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -22.707 -5.623 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -23.619 -6.277 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -22.001 -5.578 -3.646 1.00 0.00 H new ATOM 44 N LEU A 4 -20.040 -10.556 -1.780 1.00 0.00 N ATOM 45 CA LEU A 4 -19.694 -11.237 -0.542 1.00 0.00 C ATOM 46 C LEU A 4 -20.327 -10.541 0.632 1.00 0.00 C ATOM 47 O LEU A 4 -20.783 -11.228 1.537 1.00 0.00 O ATOM 48 CB LEU A 4 -18.177 -11.298 -0.355 1.00 0.00 C ATOM 49 CG LEU A 4 -17.604 -12.452 -1.182 1.00 0.00 C ATOM 50 CD1 LEU A 4 -17.913 -12.233 -2.666 1.00 0.00 C ATOM 51 CD2 LEU A 4 -16.090 -12.514 -0.977 1.00 0.00 C ATOM 0 H LEU A 4 -19.248 -10.157 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 4 -20.075 -12.256 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.724 -10.356 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -17.936 -11.437 0.699 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.057 -13.389 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.502 -13.058 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.993 -12.189 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.464 -11.296 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.677 -13.334 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.640 -11.575 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.872 -12.677 0.078 1.00 0.00 H new ATOM 63 N SER A 5 -20.344 -9.194 0.597 1.00 0.00 N ATOM 64 CA SER A 5 -20.933 -8.368 1.663 1.00 0.00 C ATOM 65 C SER A 5 -19.847 -7.708 2.501 1.00 0.00 C ATOM 66 O SER A 5 -18.721 -7.522 2.046 1.00 0.00 O ATOM 67 CB SER A 5 -21.859 -9.191 2.564 1.00 0.00 C ATOM 68 OG SER A 5 -22.704 -9.987 1.732 1.00 0.00 O ATOM 0 H SER A 5 -19.950 -8.651 -0.171 1.00 0.00 H new ATOM 0 HA SER A 5 -21.527 -7.592 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.275 -9.826 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.458 -8.534 3.195 1.00 0.00 H new ATOM 0 HG SER A 5 -22.385 -10.914 1.733 1.00 0.00 H new ATOM 74 N GLU A 6 -20.203 -7.350 3.727 1.00 0.00 N ATOM 75 CA GLU A 6 -19.255 -6.705 4.627 1.00 0.00 C ATOM 76 C GLU A 6 -18.260 -7.711 5.194 1.00 0.00 C ATOM 77 O GLU A 6 -17.726 -7.516 6.283 1.00 0.00 O ATOM 78 CB GLU A 6 -19.995 -6.015 5.775 1.00 0.00 C ATOM 79 CG GLU A 6 -20.781 -4.824 5.224 1.00 0.00 C ATOM 80 CD GLU A 6 -21.579 -4.162 6.340 1.00 0.00 C ATOM 81 OE1 GLU A 6 -22.141 -4.883 7.149 1.00 0.00 O ATOM 82 OE2 GLU A 6 -21.618 -2.942 6.369 1.00 0.00 O ATOM 0 H GLU A 6 -21.133 -7.493 4.120 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.705 -5.961 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.671 -6.718 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.285 -5.679 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.097 -4.102 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.454 -5.157 4.433 1.00 0.00 H new ATOM 89 N GLU A 7 -18.009 -8.786 4.453 1.00 0.00 N ATOM 90 CA GLU A 7 -17.065 -9.809 4.904 1.00 0.00 C ATOM 91 C GLU A 7 -15.656 -9.514 4.379 1.00 0.00 C ATOM 92 O GLU A 7 -14.706 -9.375 5.158 1.00 0.00 O ATOM 93 CB GLU A 7 -17.522 -11.188 4.418 1.00 0.00 C ATOM 94 CG GLU A 7 -16.582 -12.261 4.972 1.00 0.00 C ATOM 95 CD GLU A 7 -17.061 -13.644 4.552 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.195 -13.750 4.114 1.00 0.00 O ATOM 97 OE2 GLU A 7 -16.286 -14.578 4.673 1.00 0.00 O ATOM 0 H GLU A 7 -18.439 -8.973 3.547 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.038 -9.799 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.544 -11.380 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.525 -11.219 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.569 -12.092 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.544 -12.196 6.059 1.00 0.00 H new ATOM 104 N GLN A 8 -15.526 -9.413 3.058 1.00 0.00 N ATOM 105 CA GLN A 8 -14.232 -9.134 2.453 1.00 0.00 C ATOM 106 C GLN A 8 -13.714 -7.776 2.908 1.00 0.00 C ATOM 107 O GLN A 8 -12.510 -7.592 3.072 1.00 0.00 O ATOM 108 CB GLN A 8 -14.340 -9.166 0.926 1.00 0.00 C ATOM 109 CG GLN A 8 -15.343 -8.110 0.460 1.00 0.00 C ATOM 110 CD GLN A 8 -15.480 -8.147 -1.058 1.00 0.00 C ATOM 111 OE1 GLN A 8 -15.376 -9.211 -1.668 1.00 0.00 O ATOM 112 NE2 GLN A 8 -15.705 -7.038 -1.707 1.00 0.00 N ATOM 0 H GLN A 8 -16.294 -9.519 2.395 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.530 -9.904 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.364 -8.978 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.657 -10.155 0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.313 -8.289 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.015 -7.121 0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.791 -6.158 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.795 -7.051 -2.723 1.00 0.00 H new ATOM 121 N ILE A 9 -14.630 -6.834 3.124 1.00 0.00 N ATOM 122 CA ILE A 9 -14.235 -5.504 3.567 1.00 0.00 C ATOM 123 C ILE A 9 -13.550 -5.587 4.928 1.00 0.00 C ATOM 124 O ILE A 9 -12.523 -4.946 5.150 1.00 0.00 O ATOM 125 CB ILE A 9 -15.457 -4.577 3.651 1.00 0.00 C ATOM 126 CG1 ILE A 9 -15.974 -4.305 2.231 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.058 -3.255 4.319 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.263 -3.480 2.290 1.00 0.00 C ATOM 0 H ILE A 9 -15.634 -6.966 3.001 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.536 -5.092 2.840 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.240 -5.051 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.217 -3.771 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.159 -5.248 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.927 -2.600 4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.685 -3.453 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.278 -2.771 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.622 -3.292 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.021 -4.029 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.065 -2.530 2.786 1.00 0.00 H new ATOM 140 N VAL A 10 -14.116 -6.376 5.836 1.00 0.00 N ATOM 141 CA VAL A 10 -13.528 -6.510 7.161 1.00 0.00 C ATOM 142 C VAL A 10 -12.119 -7.077 7.046 1.00 0.00 C ATOM 143 O VAL A 10 -11.175 -6.531 7.622 1.00 0.00 O ATOM 144 CB VAL A 10 -14.393 -7.431 8.032 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.671 -7.722 9.352 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.730 -6.742 8.329 1.00 0.00 C ATOM 0 H VAL A 10 -14.964 -6.922 5.682 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.481 -5.526 7.628 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.570 -8.367 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.288 -8.376 9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.718 -8.210 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.492 -6.787 9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.346 -7.395 8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.548 -5.807 8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.248 -6.534 7.393 1.00 0.00 H new ATOM 156 N ASP A 11 -11.964 -8.153 6.279 1.00 0.00 N ATOM 157 CA ASP A 11 -10.640 -8.739 6.100 1.00 0.00 C ATOM 158 C ASP A 11 -9.734 -7.761 5.348 1.00 0.00 C ATOM 159 O ASP A 11 -8.593 -7.521 5.746 1.00 0.00 O ATOM 160 CB ASP A 11 -10.746 -10.058 5.331 1.00 0.00 C ATOM 161 CG ASP A 11 -11.361 -11.131 6.226 1.00 0.00 C ATOM 162 OD1 ASP A 11 -11.511 -10.873 7.409 1.00 0.00 O ATOM 163 OD2 ASP A 11 -11.671 -12.195 5.716 1.00 0.00 O ATOM 0 H ASP A 11 -12.719 -8.627 5.783 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.207 -8.940 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.357 -9.921 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.758 -10.374 4.995 1.00 0.00 H new ATOM 168 N PHE A 12 -10.254 -7.203 4.257 1.00 0.00 N ATOM 169 CA PHE A 12 -9.481 -6.262 3.456 1.00 0.00 C ATOM 170 C PHE A 12 -9.091 -5.069 4.309 1.00 0.00 C ATOM 171 O PHE A 12 -7.938 -4.638 4.301 1.00 0.00 O ATOM 172 CB PHE A 12 -10.292 -5.803 2.233 1.00 0.00 C ATOM 173 CG PHE A 12 -10.205 -6.844 1.124 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.057 -8.209 1.428 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.265 -6.437 -0.216 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.973 -9.147 0.408 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.183 -7.388 -1.238 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.036 -8.740 -0.926 1.00 0.00 C ATOM 0 H PHE A 12 -11.196 -7.384 3.912 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.578 -6.757 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.333 -5.648 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.913 -4.846 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.009 -8.529 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.374 -5.390 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.859 -10.194 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.234 -7.075 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.971 -9.472 -1.717 1.00 0.00 H new ATOM 188 N LYS A 13 -10.056 -4.532 5.043 1.00 0.00 N ATOM 189 CA LYS A 13 -9.790 -3.386 5.892 1.00 0.00 C ATOM 190 C LYS A 13 -8.675 -3.713 6.876 1.00 0.00 C ATOM 191 O LYS A 13 -7.845 -2.857 7.184 1.00 0.00 O ATOM 192 CB LYS A 13 -11.064 -2.991 6.650 1.00 0.00 C ATOM 193 CG LYS A 13 -10.836 -1.720 7.487 1.00 0.00 C ATOM 194 CD LYS A 13 -10.656 -0.502 6.571 1.00 0.00 C ATOM 195 CE LYS A 13 -10.857 0.777 7.381 1.00 0.00 C ATOM 196 NZ LYS A 13 -10.652 1.958 6.496 1.00 0.00 N ATOM 0 H LYS A 13 -11.018 -4.869 5.066 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.475 -2.549 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.876 -2.824 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.373 -3.809 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.683 -1.559 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.954 -1.844 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.661 -0.511 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.372 -0.542 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.860 0.797 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.156 0.807 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.788 2.831 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.687 1.939 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.338 1.930 5.715 1.00 0.00 H new ATOM 210 N GLU A 14 -8.641 -4.949 7.358 1.00 0.00 N ATOM 211 CA GLU A 14 -7.601 -5.350 8.294 1.00 0.00 C ATOM 212 C GLU A 14 -6.244 -5.311 7.610 1.00 0.00 C ATOM 213 O GLU A 14 -5.247 -4.910 8.205 1.00 0.00 O ATOM 214 CB GLU A 14 -7.868 -6.760 8.805 1.00 0.00 C ATOM 215 CG GLU A 14 -7.023 -7.021 10.058 1.00 0.00 C ATOM 216 CD GLU A 14 -7.590 -6.239 11.241 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.689 -5.726 11.113 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.922 -6.174 12.260 1.00 0.00 O ATOM 0 H GLU A 14 -9.311 -5.681 7.120 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.604 -4.657 9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.926 -6.880 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.626 -7.490 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.015 -8.087 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.989 -6.726 9.878 1.00 0.00 H new ATOM 225 N ALA A 15 -6.223 -5.714 6.348 1.00 0.00 N ATOM 226 CA ALA A 15 -4.975 -5.698 5.591 1.00 0.00 C ATOM 227 C ALA A 15 -4.476 -4.266 5.434 1.00 0.00 C ATOM 228 O ALA A 15 -3.288 -3.996 5.614 1.00 0.00 O ATOM 229 CB ALA A 15 -5.166 -6.332 4.208 1.00 0.00 C ATOM 0 H ALA A 15 -7.037 -6.050 5.833 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.237 -6.281 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.222 -6.308 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.492 -7.366 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.920 -5.774 3.653 1.00 0.00 H new ATOM 235 N PHE A 16 -5.380 -3.345 5.101 1.00 0.00 N ATOM 236 CA PHE A 16 -5.000 -1.949 4.933 1.00 0.00 C ATOM 237 C PHE A 16 -4.548 -1.339 6.253 1.00 0.00 C ATOM 238 O PHE A 16 -3.497 -0.704 6.328 1.00 0.00 O ATOM 239 CB PHE A 16 -6.190 -1.154 4.394 1.00 0.00 C ATOM 240 CG PHE A 16 -5.795 0.292 4.228 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.238 0.729 3.021 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.989 1.195 5.278 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.876 2.072 2.866 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.624 2.536 5.122 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.070 2.972 3.913 1.00 0.00 C ATOM 0 H PHE A 16 -6.369 -3.540 4.944 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.169 -1.906 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.513 -1.566 3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.035 -1.235 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.088 0.031 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.420 0.857 6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.446 2.411 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.769 3.234 5.933 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.792 4.008 3.791 1.00 0.00 H new ATOM 255 N GLY A 17 -5.351 -1.525 7.297 1.00 0.00 N ATOM 256 CA GLY A 17 -5.011 -0.970 8.598 1.00 0.00 C ATOM 257 C GLY A 17 -3.638 -1.446 9.035 1.00 0.00 C ATOM 258 O GLY A 17 -2.818 -0.655 9.500 1.00 0.00 O ATOM 0 H GLY A 17 -6.227 -2.047 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.027 0.119 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.757 -1.269 9.334 1.00 0.00 H new ATOM 262 N LEU A 18 -3.380 -2.736 8.875 1.00 0.00 N ATOM 263 CA LEU A 18 -2.091 -3.290 9.252 1.00 0.00 C ATOM 264 C LEU A 18 -0.986 -2.655 8.401 1.00 0.00 C ATOM 265 O LEU A 18 0.105 -2.374 8.889 1.00 0.00 O ATOM 266 CB LEU A 18 -2.121 -4.824 9.052 1.00 0.00 C ATOM 267 CG LEU A 18 -1.168 -5.523 10.041 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.164 -7.033 9.777 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.251 -4.968 9.878 1.00 0.00 C ATOM 0 H LEU A 18 -4.040 -3.412 8.490 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.885 -3.073 10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.136 -5.194 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.834 -5.068 8.029 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.511 -5.336 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.489 -7.523 10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.172 -7.428 9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.829 -7.223 8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.919 -5.466 10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.596 -5.146 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.248 -3.897 10.078 1.00 0.00 H new ATOM 281 N PHE A 19 -1.279 -2.447 7.122 1.00 0.00 N ATOM 282 CA PHE A 19 -0.298 -1.869 6.205 1.00 0.00 C ATOM 283 C PHE A 19 0.021 -0.456 6.603 1.00 0.00 C ATOM 284 O PHE A 19 1.177 -0.025 6.580 1.00 0.00 O ATOM 285 CB PHE A 19 -0.835 -1.915 4.763 1.00 0.00 C ATOM 286 CG PHE A 19 -0.867 -3.354 4.243 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.764 -4.461 5.126 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.989 -3.589 2.862 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.784 -5.753 4.638 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.010 -4.914 2.381 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.905 -5.989 3.277 1.00 0.00 C ATOM 0 H PHE A 19 -2.180 -2.667 6.697 1.00 0.00 H new ATOM 0 HA PHE A 19 0.620 -2.455 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.838 -1.489 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.206 -1.303 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.669 -4.291 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.066 -2.760 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.705 -6.585 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.107 -5.102 1.322 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.918 -7.003 2.905 1.00 0.00 H new ATOM 301 N ASP A 20 -1.007 0.269 6.975 1.00 0.00 N ATOM 302 CA ASP A 20 -0.841 1.645 7.386 1.00 0.00 C ATOM 303 C ASP A 20 -0.374 1.718 8.839 1.00 0.00 C ATOM 304 O ASP A 20 -1.043 2.298 9.689 1.00 0.00 O ATOM 305 CB ASP A 20 -2.168 2.361 7.206 1.00 0.00 C ATOM 306 CG ASP A 20 -2.067 3.800 7.699 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.101 4.464 7.346 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.958 4.220 8.418 1.00 0.00 O ATOM 0 H ASP A 20 -1.969 -0.070 7.002 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.079 2.128 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.455 2.349 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.949 1.836 7.755 1.00 0.00 H new ATOM 313 N LYS A 21 0.770 1.086 9.113 1.00 0.00 N ATOM 314 CA LYS A 21 1.330 1.048 10.467 1.00 0.00 C ATOM 315 C LYS A 21 1.098 2.364 11.206 1.00 0.00 C ATOM 316 O LYS A 21 1.044 2.384 12.438 1.00 0.00 O ATOM 317 CB LYS A 21 2.832 0.755 10.408 1.00 0.00 C ATOM 318 CG LYS A 21 3.376 0.567 11.832 1.00 0.00 C ATOM 319 CD LYS A 21 4.828 0.095 11.761 1.00 0.00 C ATOM 320 CE LYS A 21 5.373 -0.114 13.178 1.00 0.00 C ATOM 321 NZ LYS A 21 6.765 -0.644 13.109 1.00 0.00 N ATOM 0 H LYS A 21 1.327 0.593 8.415 1.00 0.00 H new ATOM 0 HA LYS A 21 0.820 0.254 11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.015 -0.142 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.354 1.575 9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.313 1.505 12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.771 -0.162 12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.891 -0.835 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.434 0.831 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.359 0.828 13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.736 -0.809 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.131 -0.784 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.766 -1.552 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.370 0.035 12.604 1.00 0.00 H new ATOM 335 N ASP A 22 0.967 3.469 10.468 1.00 0.00 N ATOM 336 CA ASP A 22 0.759 4.772 11.096 1.00 0.00 C ATOM 337 C ASP A 22 -0.699 4.976 11.513 1.00 0.00 C ATOM 338 O ASP A 22 -0.983 5.716 12.453 1.00 0.00 O ATOM 339 CB ASP A 22 1.154 5.872 10.115 1.00 0.00 C ATOM 340 CG ASP A 22 2.506 5.550 9.489 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.213 4.723 10.046 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.808 6.131 8.458 1.00 0.00 O ATOM 0 H ASP A 22 1.001 3.487 9.449 1.00 0.00 H new ATOM 0 HA ASP A 22 1.377 4.814 11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.397 5.966 9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.202 6.831 10.631 1.00 0.00 H new ATOM 347 N GLY A 23 -1.619 4.319 10.812 1.00 0.00 N ATOM 348 CA GLY A 23 -3.037 4.436 11.129 1.00 0.00 C ATOM 349 C GLY A 23 -3.609 5.774 10.658 1.00 0.00 C ATOM 350 O GLY A 23 -4.746 6.115 10.980 1.00 0.00 O ATOM 0 H GLY A 23 -1.409 3.704 10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.585 3.619 10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.180 4.337 12.205 1.00 0.00 H new ATOM 354 N ASP A 24 -2.810 6.546 9.921 1.00 0.00 N ATOM 355 CA ASP A 24 -3.267 7.851 9.460 1.00 0.00 C ATOM 356 C ASP A 24 -4.440 7.702 8.505 1.00 0.00 C ATOM 357 O ASP A 24 -5.191 8.650 8.285 1.00 0.00 O ATOM 358 CB ASP A 24 -2.130 8.598 8.759 1.00 0.00 C ATOM 359 CG ASP A 24 -1.827 7.947 7.413 1.00 0.00 C ATOM 360 OD1 ASP A 24 -2.000 6.745 7.309 1.00 0.00 O ATOM 361 OD2 ASP A 24 -1.428 8.661 6.509 1.00 0.00 O ATOM 0 H ASP A 24 -1.863 6.295 9.637 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.589 8.422 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.406 9.642 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.238 8.589 9.385 1.00 0.00 H new ATOM 366 N GLY A 25 -4.603 6.507 7.944 1.00 0.00 N ATOM 367 CA GLY A 25 -5.698 6.247 7.014 1.00 0.00 C ATOM 368 C GLY A 25 -5.199 6.202 5.579 1.00 0.00 C ATOM 369 O GLY A 25 -5.931 5.801 4.676 1.00 0.00 O ATOM 0 H GLY A 25 -3.994 5.707 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.176 5.300 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.456 7.023 7.114 1.00 0.00 H new ATOM 373 N CYS A 26 -3.954 6.637 5.363 1.00 0.00 N ATOM 374 CA CYS A 26 -3.372 6.654 4.013 1.00 0.00 C ATOM 375 C CYS A 26 -2.018 5.948 3.994 1.00 0.00 C ATOM 376 O CYS A 26 -1.126 6.272 4.785 1.00 0.00 O ATOM 377 CB CYS A 26 -3.193 8.103 3.547 1.00 0.00 C ATOM 378 SG CYS A 26 -4.803 8.798 3.099 1.00 0.00 S ATOM 0 H CYS A 26 -3.333 6.979 6.096 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.050 6.128 3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.737 8.697 4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.518 8.140 2.692 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.057 8.535 1.852 1.00 0.00 H new ATOM 384 N ILE A 27 -1.861 4.989 3.076 1.00 0.00 N ATOM 385 CA ILE A 27 -0.599 4.257 2.953 1.00 0.00 C ATOM 386 C ILE A 27 0.295 4.947 1.928 1.00 0.00 C ATOM 387 O ILE A 27 -0.010 4.942 0.735 1.00 0.00 O ATOM 388 CB ILE A 27 -0.851 2.816 2.472 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.648 2.028 3.512 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.487 2.109 2.241 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.141 0.725 2.880 1.00 0.00 C ATOM 0 H ILE A 27 -2.584 4.705 2.415 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.121 4.239 3.932 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.421 2.862 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.025 1.813 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.493 2.619 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.306 1.089 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.058 2.648 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.052 2.085 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.711 0.157 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.778 0.953 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.286 0.135 2.548 1.00 0.00 H new ATOM 403 N THR A 28 1.398 5.533 2.378 1.00 0.00 N ATOM 404 CA THR A 28 2.311 6.203 1.455 1.00 0.00 C ATOM 405 C THR A 28 3.225 5.163 0.814 1.00 0.00 C ATOM 406 O THR A 28 3.275 4.019 1.263 1.00 0.00 O ATOM 407 CB THR A 28 3.155 7.253 2.193 1.00 0.00 C ATOM 408 OG1 THR A 28 4.417 7.378 1.556 1.00 0.00 O ATOM 409 CG2 THR A 28 3.358 6.828 3.647 1.00 0.00 C ATOM 0 H THR A 28 1.680 5.560 3.358 1.00 0.00 H new ATOM 0 HA THR A 28 1.729 6.711 0.686 1.00 0.00 H new ATOM 0 HB THR A 28 2.636 8.211 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.955 8.049 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.957 7.577 4.165 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.389 6.736 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.873 5.868 3.677 1.00 0.00 H new ATOM 417 N VAL A 29 3.933 5.549 -0.240 1.00 0.00 N ATOM 418 CA VAL A 29 4.813 4.603 -0.921 1.00 0.00 C ATOM 419 C VAL A 29 5.809 3.996 0.065 1.00 0.00 C ATOM 420 O VAL A 29 6.043 2.789 0.051 1.00 0.00 O ATOM 421 CB VAL A 29 5.572 5.301 -2.058 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.499 4.289 -2.745 1.00 0.00 C ATOM 423 CG2 VAL A 29 4.572 5.877 -3.082 1.00 0.00 C ATOM 0 H VAL A 29 3.918 6.489 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 29 4.198 3.806 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 29 6.166 6.118 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.040 4.781 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.211 3.896 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.906 3.470 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.118 6.371 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.969 5.069 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.921 6.599 -2.589 1.00 0.00 H new ATOM 433 N GLU A 30 6.392 4.830 0.920 1.00 0.00 N ATOM 434 CA GLU A 30 7.351 4.345 1.895 1.00 0.00 C ATOM 435 C GLU A 30 6.743 3.210 2.712 1.00 0.00 C ATOM 436 O GLU A 30 7.388 2.187 2.951 1.00 0.00 O ATOM 437 CB GLU A 30 7.762 5.484 2.827 1.00 0.00 C ATOM 438 CG GLU A 30 8.878 5.007 3.749 1.00 0.00 C ATOM 439 CD GLU A 30 9.327 6.142 4.664 1.00 0.00 C ATOM 440 OE1 GLU A 30 8.614 7.128 4.743 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.380 6.011 5.269 1.00 0.00 O ATOM 0 H GLU A 30 6.217 5.834 0.955 1.00 0.00 H new ATOM 0 HA GLU A 30 8.230 3.972 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.098 6.342 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.906 5.814 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.531 4.164 4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.722 4.652 3.157 1.00 0.00 H new ATOM 448 N GLU A 31 5.491 3.385 3.119 1.00 0.00 N ATOM 449 CA GLU A 31 4.804 2.357 3.889 1.00 0.00 C ATOM 450 C GLU A 31 4.551 1.124 3.036 1.00 0.00 C ATOM 451 O GLU A 31 4.801 -0.001 3.469 1.00 0.00 O ATOM 452 CB GLU A 31 3.473 2.905 4.404 1.00 0.00 C ATOM 453 CG GLU A 31 3.704 3.782 5.633 1.00 0.00 C ATOM 454 CD GLU A 31 2.395 4.449 6.021 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.775 5.025 5.146 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.023 4.360 7.180 1.00 0.00 O ATOM 0 H GLU A 31 4.936 4.220 2.931 1.00 0.00 H new ATOM 0 HA GLU A 31 5.436 2.074 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.983 3.484 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.805 2.081 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.078 3.179 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.462 4.536 5.420 1.00 0.00 H new ATOM 463 N LEU A 32 4.063 1.335 1.821 1.00 0.00 N ATOM 464 CA LEU A 32 3.795 0.208 0.941 1.00 0.00 C ATOM 465 C LEU A 32 5.099 -0.538 0.707 1.00 0.00 C ATOM 466 O LEU A 32 5.155 -1.760 0.814 1.00 0.00 O ATOM 467 CB LEU A 32 3.208 0.699 -0.398 1.00 0.00 C ATOM 468 CG LEU A 32 2.838 -0.502 -1.304 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.426 -1.004 -0.973 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.900 -0.078 -2.774 1.00 0.00 C ATOM 0 H LEU A 32 3.849 2.253 1.430 1.00 0.00 H new ATOM 0 HA LEU A 32 3.065 -0.457 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.323 1.307 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.932 1.336 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 32 3.550 -1.308 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.180 -1.848 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.387 -1.320 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.707 -0.201 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.639 -0.925 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.196 0.736 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.909 0.258 -3.014 1.00 0.00 H new ATOM 482 N ALA A 33 6.157 0.205 0.407 1.00 0.00 N ATOM 483 CA ALA A 33 7.455 -0.410 0.171 1.00 0.00 C ATOM 484 C ALA A 33 7.835 -1.300 1.346 1.00 0.00 C ATOM 485 O ALA A 33 8.326 -2.405 1.159 1.00 0.00 O ATOM 486 CB ALA A 33 8.520 0.670 -0.029 1.00 0.00 C ATOM 0 H ALA A 33 6.143 1.221 0.322 1.00 0.00 H new ATOM 0 HA ALA A 33 7.394 -1.020 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.487 0.199 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.256 1.287 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.577 1.294 0.863 1.00 0.00 H new ATOM 492 N THR A 34 7.580 -0.829 2.554 1.00 0.00 N ATOM 493 CA THR A 34 7.881 -1.621 3.736 1.00 0.00 C ATOM 494 C THR A 34 7.010 -2.878 3.770 1.00 0.00 C ATOM 495 O THR A 34 7.484 -3.953 4.145 1.00 0.00 O ATOM 496 CB THR A 34 7.694 -0.781 5.015 1.00 0.00 C ATOM 497 OG1 THR A 34 8.811 0.084 5.160 1.00 0.00 O ATOM 498 CG2 THR A 34 7.590 -1.682 6.252 1.00 0.00 C ATOM 0 H THR A 34 7.170 0.086 2.743 1.00 0.00 H new ATOM 0 HA THR A 34 8.925 -1.932 3.690 1.00 0.00 H new ATOM 0 HB THR A 34 6.772 -0.207 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.703 0.625 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.459 -1.065 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.736 -2.350 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.502 -2.271 6.351 1.00 0.00 H new ATOM 506 N VAL A 35 5.734 -2.745 3.387 1.00 0.00 N ATOM 507 CA VAL A 35 4.840 -3.902 3.402 1.00 0.00 C ATOM 508 C VAL A 35 5.287 -4.951 2.394 1.00 0.00 C ATOM 509 O VAL A 35 5.395 -6.131 2.722 1.00 0.00 O ATOM 510 CB VAL A 35 3.388 -3.479 3.122 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.517 -4.730 2.954 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.864 -2.660 4.297 1.00 0.00 C ATOM 0 H VAL A 35 5.309 -1.873 3.072 1.00 0.00 H new ATOM 0 HA VAL A 35 4.885 -4.342 4.398 1.00 0.00 H new ATOM 0 HB VAL A 35 3.353 -2.881 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.487 -4.432 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.890 -5.324 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.553 -5.324 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.835 -2.359 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.899 -3.262 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.483 -1.772 4.427 1.00 0.00 H new ATOM 522 N ILE A 36 5.558 -4.522 1.166 1.00 0.00 N ATOM 523 CA ILE A 36 5.998 -5.453 0.131 1.00 0.00 C ATOM 524 C ILE A 36 7.312 -6.105 0.530 1.00 0.00 C ATOM 525 O ILE A 36 7.479 -7.314 0.383 1.00 0.00 O ATOM 526 CB ILE A 36 6.154 -4.726 -1.212 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.841 -4.012 -1.561 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.500 -5.723 -2.317 1.00 0.00 C ATOM 529 CD1 ILE A 36 3.674 -5.010 -1.606 1.00 0.00 C ATOM 0 H ILE A 36 5.483 -3.550 0.865 1.00 0.00 H new ATOM 0 HA ILE A 36 5.241 -6.230 0.021 1.00 0.00 H new ATOM 0 HB ILE A 36 6.960 -3.997 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.635 -3.238 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.938 -3.514 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.608 -5.194 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.436 -6.226 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.703 -6.462 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.753 -4.482 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.873 -5.769 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.566 -5.488 -0.632 1.00 0.00 H new ATOM 541 N ARG A 37 8.236 -5.309 1.049 1.00 0.00 N ATOM 542 CA ARG A 37 9.529 -5.837 1.474 1.00 0.00 C ATOM 543 C ARG A 37 9.349 -6.882 2.560 1.00 0.00 C ATOM 544 O ARG A 37 10.000 -7.926 2.558 1.00 0.00 O ATOM 545 CB ARG A 37 10.398 -4.694 2.000 1.00 0.00 C ATOM 546 CG ARG A 37 10.888 -3.869 0.825 1.00 0.00 C ATOM 547 CD ARG A 37 11.721 -2.688 1.331 1.00 0.00 C ATOM 548 NE ARG A 37 10.878 -1.763 2.079 1.00 0.00 N ATOM 549 CZ ARG A 37 11.391 -0.675 2.641 1.00 0.00 C ATOM 550 NH1 ARG A 37 12.665 -0.424 2.526 1.00 0.00 N ATOM 551 NH2 ARG A 37 10.620 0.140 3.307 1.00 0.00 N ATOM 0 H ARG A 37 8.119 -4.305 1.186 1.00 0.00 H new ATOM 0 HA ARG A 37 10.015 -6.306 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.825 -4.070 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.244 -5.091 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.487 -4.489 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.040 -3.505 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.530 -3.049 1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.183 -2.172 0.489 1.00 0.00 H new ATOM 0 HE ARG A 37 9.880 -1.954 2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.266 -1.063 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.061 0.411 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.624 -0.059 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.014 0.976 3.739 1.00 0.00 H new ATOM 565 N SER A 38 8.457 -6.595 3.477 1.00 0.00 N ATOM 566 CA SER A 38 8.176 -7.531 4.571 1.00 0.00 C ATOM 567 C SER A 38 7.336 -8.706 4.075 1.00 0.00 C ATOM 568 O SER A 38 7.309 -9.765 4.708 1.00 0.00 O ATOM 569 CB SER A 38 7.424 -6.830 5.702 1.00 0.00 C ATOM 570 OG SER A 38 7.315 -7.716 6.814 1.00 0.00 O ATOM 0 H SER A 38 7.911 -5.734 3.500 1.00 0.00 H new ATOM 0 HA SER A 38 9.132 -7.899 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.950 -5.922 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.433 -6.529 5.363 1.00 0.00 H new ATOM 0 HG SER A 38 6.835 -7.269 7.542 1.00 0.00 H new ATOM 576 N LEU A 39 6.625 -8.506 2.976 1.00 0.00 N ATOM 577 CA LEU A 39 5.764 -9.551 2.449 1.00 0.00 C ATOM 578 C LEU A 39 6.552 -10.764 1.949 1.00 0.00 C ATOM 579 O LEU A 39 6.177 -11.886 2.255 1.00 0.00 O ATOM 580 CB LEU A 39 4.904 -8.988 1.296 1.00 0.00 C ATOM 581 CG LEU A 39 3.594 -9.785 1.169 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.660 -9.092 0.173 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.874 -11.227 0.709 1.00 0.00 C ATOM 0 H LEU A 39 6.627 -7.640 2.438 1.00 0.00 H new ATOM 0 HA LEU A 39 5.129 -9.887 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.682 -7.937 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.460 -9.038 0.360 1.00 0.00 H new ATOM 0 HG LEU A 39 3.116 -9.823 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.734 -9.660 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.436 -8.085 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.144 -9.037 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.933 -11.772 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.370 -11.210 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.517 -11.722 1.436 1.00 0.00 H new ATOM 595 N ASP A 40 7.639 -10.517 1.200 1.00 0.00 N ATOM 596 CA ASP A 40 8.489 -11.605 0.654 1.00 0.00 C ATOM 597 C ASP A 40 9.166 -11.183 -0.656 1.00 0.00 C ATOM 598 O ASP A 40 9.877 -11.979 -1.270 1.00 0.00 O ATOM 599 CB ASP A 40 7.653 -12.881 0.375 1.00 0.00 C ATOM 600 CG ASP A 40 7.623 -13.796 1.602 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.659 -13.948 2.227 1.00 0.00 O ATOM 602 OD2 ASP A 40 6.563 -14.325 1.895 1.00 0.00 O ATOM 0 H ASP A 40 7.955 -9.579 0.955 1.00 0.00 H new ATOM 0 HA ASP A 40 9.248 -11.815 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.636 -12.601 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.076 -13.419 -0.474 1.00 0.00 H new ATOM 607 N GLN A 41 8.954 -9.944 -1.088 1.00 0.00 N ATOM 608 CA GLN A 41 9.561 -9.466 -2.332 1.00 0.00 C ATOM 609 C GLN A 41 9.958 -8.007 -2.181 1.00 0.00 C ATOM 610 O GLN A 41 9.374 -7.283 -1.383 1.00 0.00 O ATOM 611 CB GLN A 41 8.569 -9.619 -3.496 1.00 0.00 C ATOM 612 CG GLN A 41 9.247 -9.254 -4.823 1.00 0.00 C ATOM 613 CD GLN A 41 10.381 -10.230 -5.120 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.254 -11.427 -4.866 1.00 0.00 O ATOM 615 NE2 GLN A 41 11.493 -9.786 -5.642 1.00 0.00 N ATOM 0 H GLN A 41 8.375 -9.258 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 41 10.450 -10.060 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.201 -10.644 -3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.704 -8.976 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.516 -9.277 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.636 -8.237 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.597 -8.793 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.257 -10.432 -5.840 1.00 0.00 H new ATOM 624 N ASN A 42 10.955 -7.576 -2.952 1.00 0.00 N ATOM 625 CA ASN A 42 11.417 -6.187 -2.886 1.00 0.00 C ATOM 626 C ASN A 42 11.576 -5.591 -4.281 1.00 0.00 C ATOM 627 O ASN A 42 12.686 -5.479 -4.796 1.00 0.00 O ATOM 628 CB ASN A 42 12.756 -6.124 -2.151 1.00 0.00 C ATOM 629 CG ASN A 42 13.775 -7.030 -2.836 1.00 0.00 C ATOM 630 OD1 ASN A 42 14.699 -6.545 -3.486 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.659 -8.326 -2.725 1.00 0.00 N ATOM 0 H ASN A 42 11.455 -8.159 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 42 10.669 -5.606 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.123 -5.098 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.625 -6.431 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.336 -8.939 -3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.891 -8.725 -2.185 1.00 0.00 H new ATOM 638 N PRO A 43 10.489 -5.186 -4.893 1.00 0.00 N ATOM 639 CA PRO A 43 10.508 -4.559 -6.249 1.00 0.00 C ATOM 640 C PRO A 43 11.189 -3.190 -6.206 1.00 0.00 C ATOM 641 O PRO A 43 11.281 -2.574 -5.145 1.00 0.00 O ATOM 642 CB PRO A 43 9.015 -4.435 -6.634 1.00 0.00 C ATOM 643 CG PRO A 43 8.278 -5.295 -5.652 1.00 0.00 C ATOM 644 CD PRO A 43 9.117 -5.288 -4.377 1.00 0.00 C ATOM 0 HA PRO A 43 11.071 -5.146 -6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.680 -3.399 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.844 -4.771 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.278 -4.904 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.157 -6.309 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.864 -4.448 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.971 -6.196 -3.791 1.00 0.00 H new ATOM 652 N THR A 44 11.656 -2.708 -7.356 1.00 0.00 N ATOM 653 CA THR A 44 12.305 -1.410 -7.417 1.00 0.00 C ATOM 654 C THR A 44 11.257 -0.319 -7.599 1.00 0.00 C ATOM 655 O THR A 44 10.124 -0.597 -7.996 1.00 0.00 O ATOM 656 CB THR A 44 13.279 -1.384 -8.593 1.00 0.00 C ATOM 657 OG1 THR A 44 14.046 -2.581 -8.598 1.00 0.00 O ATOM 658 CG2 THR A 44 14.214 -0.184 -8.470 1.00 0.00 C ATOM 0 H THR A 44 11.596 -3.196 -8.250 1.00 0.00 H new ATOM 0 HA THR A 44 12.849 -1.234 -6.489 1.00 0.00 H new ATOM 0 HB THR A 44 12.715 -1.304 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.670 -2.566 -9.353 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.905 -0.173 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.628 0.735 -8.470 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.777 -0.256 -7.540 1.00 0.00 H new ATOM 666 N GLU A 45 11.639 0.922 -7.311 1.00 0.00 N ATOM 667 CA GLU A 45 10.714 2.049 -7.451 1.00 0.00 C ATOM 668 C GLU A 45 9.885 1.885 -8.726 1.00 0.00 C ATOM 669 O GLU A 45 8.665 2.034 -8.711 1.00 0.00 O ATOM 670 CB GLU A 45 11.487 3.372 -7.502 1.00 0.00 C ATOM 671 CG GLU A 45 11.960 3.745 -6.095 1.00 0.00 C ATOM 672 CD GLU A 45 13.000 2.740 -5.615 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.627 2.119 -6.457 1.00 0.00 O ATOM 674 OE2 GLU A 45 13.155 2.608 -4.412 1.00 0.00 O ATOM 0 H GLU A 45 12.571 1.174 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 45 10.049 2.064 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.342 3.280 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.851 4.161 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.386 4.748 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.113 3.761 -5.409 1.00 0.00 H new ATOM 681 N GLU A 46 10.566 1.584 -9.826 1.00 0.00 N ATOM 682 CA GLU A 46 9.896 1.405 -11.107 1.00 0.00 C ATOM 683 C GLU A 46 8.674 0.500 -10.956 1.00 0.00 C ATOM 684 O GLU A 46 7.553 0.904 -11.263 1.00 0.00 O ATOM 685 CB GLU A 46 10.871 0.792 -12.135 1.00 0.00 C ATOM 686 CG GLU A 46 12.316 1.135 -11.765 1.00 0.00 C ATOM 687 CD GLU A 46 12.473 2.647 -11.626 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.597 3.359 -12.087 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.472 3.070 -11.068 1.00 0.00 O ATOM 0 H GLU A 46 11.578 1.459 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 46 9.567 2.383 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.744 -0.290 -12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.644 1.170 -13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.587 0.645 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.995 0.759 -12.530 1.00 0.00 H new ATOM 696 N GLU A 47 8.898 -0.723 -10.488 1.00 0.00 N ATOM 697 CA GLU A 47 7.798 -1.662 -10.317 1.00 0.00 C ATOM 698 C GLU A 47 6.782 -1.114 -9.324 1.00 0.00 C ATOM 699 O GLU A 47 5.576 -1.216 -9.541 1.00 0.00 O ATOM 700 CB GLU A 47 8.336 -3.010 -9.835 1.00 0.00 C ATOM 701 CG GLU A 47 9.220 -3.634 -10.927 1.00 0.00 C ATOM 702 CD GLU A 47 8.348 -4.261 -12.012 1.00 0.00 C ATOM 703 OE1 GLU A 47 7.159 -3.994 -12.020 1.00 0.00 O ATOM 704 OE2 GLU A 47 8.880 -5.020 -12.806 1.00 0.00 O ATOM 0 H GLU A 47 9.816 -1.082 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 47 7.301 -1.801 -11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.912 -2.876 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.509 -3.679 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.865 -2.872 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.871 -4.391 -10.490 1.00 0.00 H new ATOM 711 N LEU A 48 7.269 -0.524 -8.239 1.00 0.00 N ATOM 712 CA LEU A 48 6.380 0.040 -7.236 1.00 0.00 C ATOM 713 C LEU A 48 5.542 1.159 -7.843 1.00 0.00 C ATOM 714 O LEU A 48 4.337 1.243 -7.610 1.00 0.00 O ATOM 715 CB LEU A 48 7.216 0.570 -6.062 1.00 0.00 C ATOM 716 CG LEU A 48 7.568 -0.581 -5.099 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.850 -0.242 -4.330 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.422 -0.790 -4.097 1.00 0.00 C ATOM 0 H LEU A 48 8.263 -0.425 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 48 5.702 -0.733 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.129 1.034 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.661 1.343 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 48 7.719 -1.492 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.094 -1.059 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.670 -0.099 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.700 0.673 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.676 -1.605 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.268 0.125 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.508 -1.038 -4.636 1.00 0.00 H new ATOM 730 N GLN A 49 6.185 2.008 -8.632 1.00 0.00 N ATOM 731 CA GLN A 49 5.473 3.103 -9.274 1.00 0.00 C ATOM 732 C GLN A 49 4.438 2.551 -10.248 1.00 0.00 C ATOM 733 O GLN A 49 3.276 2.955 -10.220 1.00 0.00 O ATOM 734 CB GLN A 49 6.462 4.015 -10.004 1.00 0.00 C ATOM 735 CG GLN A 49 7.213 4.869 -8.979 1.00 0.00 C ATOM 736 CD GLN A 49 6.270 5.898 -8.364 1.00 0.00 C ATOM 737 OE1 GLN A 49 5.592 6.628 -9.086 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.185 5.997 -7.066 1.00 0.00 N ATOM 0 H GLN A 49 7.182 1.962 -8.841 1.00 0.00 H new ATOM 0 HA GLN A 49 4.958 3.688 -8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.166 3.418 -10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.932 4.655 -10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.629 4.232 -8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.052 5.374 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.748 5.390 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.555 6.681 -6.647 1.00 0.00 H new ATOM 747 N ASP A 50 4.858 1.631 -11.111 1.00 0.00 N ATOM 748 CA ASP A 50 3.945 1.042 -12.083 1.00 0.00 C ATOM 749 C ASP A 50 2.807 0.311 -11.367 1.00 0.00 C ATOM 750 O ASP A 50 1.664 0.344 -11.822 1.00 0.00 O ATOM 751 CB ASP A 50 4.699 0.065 -12.987 1.00 0.00 C ATOM 752 CG ASP A 50 5.585 0.830 -13.964 1.00 0.00 C ATOM 753 OD1 ASP A 50 5.459 2.042 -14.026 1.00 0.00 O ATOM 754 OD2 ASP A 50 6.379 0.194 -14.640 1.00 0.00 O ATOM 0 H ASP A 50 5.815 1.280 -11.157 1.00 0.00 H new ATOM 0 HA ASP A 50 3.524 1.841 -12.693 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.308 -0.606 -12.382 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.990 -0.555 -13.536 1.00 0.00 H new ATOM 759 N MET A 51 3.118 -0.318 -10.236 1.00 0.00 N ATOM 760 CA MET A 51 2.090 -1.010 -9.470 1.00 0.00 C ATOM 761 C MET A 51 1.195 0.012 -8.780 1.00 0.00 C ATOM 762 O MET A 51 -0.031 -0.086 -8.841 1.00 0.00 O ATOM 763 CB MET A 51 2.742 -1.941 -8.439 1.00 0.00 C ATOM 764 CG MET A 51 3.147 -3.268 -9.105 1.00 0.00 C ATOM 765 SD MET A 51 4.539 -4.006 -8.208 1.00 0.00 S ATOM 766 CE MET A 51 3.910 -3.778 -6.529 1.00 0.00 C ATOM 0 H MET A 51 4.056 -0.362 -9.837 1.00 0.00 H new ATOM 0 HA MET A 51 1.481 -1.615 -10.142 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.619 -1.460 -8.007 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.048 -2.133 -7.621 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.301 -3.955 -9.111 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.424 -3.094 -10.145 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.411 -4.473 -5.855 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.102 -2.755 -6.204 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.837 -3.968 -6.514 1.00 0.00 H new ATOM 776 N ILE A 52 1.810 1.001 -8.141 1.00 0.00 N ATOM 777 CA ILE A 52 1.038 2.042 -7.477 1.00 0.00 C ATOM 778 C ILE A 52 0.277 2.853 -8.512 1.00 0.00 C ATOM 779 O ILE A 52 -0.907 3.129 -8.340 1.00 0.00 O ATOM 780 CB ILE A 52 1.954 2.956 -6.657 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.456 2.195 -5.425 1.00 0.00 C ATOM 782 CG2 ILE A 52 1.188 4.209 -6.203 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.593 2.981 -4.757 1.00 0.00 C ATOM 0 H ILE A 52 2.822 1.103 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 52 0.329 1.572 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 52 2.798 3.261 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.639 2.048 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.808 1.205 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.851 4.850 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.831 4.754 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.338 3.913 -5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.947 2.436 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.414 3.105 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.227 3.961 -4.451 1.00 0.00 H new ATOM 795 N SER A 53 0.959 3.220 -9.592 1.00 0.00 N ATOM 796 CA SER A 53 0.315 3.993 -10.643 1.00 0.00 C ATOM 797 C SER A 53 -0.888 3.223 -11.177 1.00 0.00 C ATOM 798 O SER A 53 -1.962 3.791 -11.377 1.00 0.00 O ATOM 799 CB SER A 53 1.309 4.270 -11.771 1.00 0.00 C ATOM 800 OG SER A 53 2.395 5.033 -11.258 1.00 0.00 O ATOM 0 H SER A 53 1.940 2.999 -9.760 1.00 0.00 H new ATOM 0 HA SER A 53 -0.024 4.946 -10.236 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.673 3.332 -12.190 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.818 4.811 -12.580 1.00 0.00 H new ATOM 0 HG SER A 53 2.974 4.456 -10.717 1.00 0.00 H new ATOM 806 N GLU A 54 -0.699 1.930 -11.422 1.00 0.00 N ATOM 807 CA GLU A 54 -1.776 1.099 -11.943 1.00 0.00 C ATOM 808 C GLU A 54 -3.058 1.303 -11.136 1.00 0.00 C ATOM 809 O GLU A 54 -4.157 1.120 -11.661 1.00 0.00 O ATOM 810 CB GLU A 54 -1.366 -0.380 -11.897 1.00 0.00 C ATOM 811 CG GLU A 54 -2.469 -1.241 -12.523 1.00 0.00 C ATOM 812 CD GLU A 54 -2.044 -2.705 -12.539 1.00 0.00 C ATOM 813 OE1 GLU A 54 -1.060 -3.022 -11.892 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.709 -3.487 -13.197 1.00 0.00 O ATOM 0 H GLU A 54 0.182 1.439 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.965 1.392 -12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.429 -0.525 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.192 -0.687 -10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.394 -1.129 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.673 -0.902 -13.539 1.00 0.00 H new ATOM 821 N VAL A 55 -2.918 1.677 -9.859 1.00 0.00 N ATOM 822 CA VAL A 55 -4.087 1.895 -8.993 1.00 0.00 C ATOM 823 C VAL A 55 -4.225 3.358 -8.589 1.00 0.00 C ATOM 824 O VAL A 55 -5.340 3.844 -8.404 1.00 0.00 O ATOM 825 CB VAL A 55 -3.972 1.035 -7.732 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.631 1.298 -7.051 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.111 1.379 -6.768 1.00 0.00 C ATOM 0 H VAL A 55 -2.019 1.834 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.973 1.611 -9.561 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.037 -0.017 -8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.552 0.684 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.820 1.047 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.562 2.351 -6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.027 0.765 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.050 2.432 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.068 1.185 -7.252 1.00 0.00 H new ATOM 837 N ASP A 56 -3.108 4.058 -8.437 1.00 0.00 N ATOM 838 CA ASP A 56 -3.175 5.454 -8.045 1.00 0.00 C ATOM 839 C ASP A 56 -3.925 6.221 -9.124 1.00 0.00 C ATOM 840 O ASP A 56 -3.328 6.848 -9.999 1.00 0.00 O ATOM 841 CB ASP A 56 -1.764 6.029 -7.844 1.00 0.00 C ATOM 842 CG ASP A 56 -1.806 7.219 -6.886 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.897 7.659 -6.564 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.745 7.674 -6.492 1.00 0.00 O ATOM 0 H ASP A 56 -2.167 3.690 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.702 5.547 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.103 5.258 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.351 6.341 -8.803 1.00 0.00 H new ATOM 849 N ALA A 57 -5.245 6.146 -9.052 1.00 0.00 N ATOM 850 CA ALA A 57 -6.090 6.823 -10.029 1.00 0.00 C ATOM 851 C ALA A 57 -5.844 8.324 -9.994 1.00 0.00 C ATOM 852 O ALA A 57 -5.953 9.008 -11.012 1.00 0.00 O ATOM 853 CB ALA A 57 -7.568 6.543 -9.755 1.00 0.00 C ATOM 0 H ALA A 57 -5.753 5.628 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.835 6.439 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.179 7.058 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.752 5.470 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.827 6.901 -8.759 1.00 0.00 H new ATOM 859 N ASP A 58 -5.530 8.836 -8.809 1.00 0.00 N ATOM 860 CA ASP A 58 -5.286 10.270 -8.639 1.00 0.00 C ATOM 861 C ASP A 58 -3.804 10.613 -8.773 1.00 0.00 C ATOM 862 O ASP A 58 -3.450 11.758 -9.055 1.00 0.00 O ATOM 863 CB ASP A 58 -5.791 10.707 -7.267 1.00 0.00 C ATOM 864 CG ASP A 58 -5.290 9.742 -6.203 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.447 8.548 -6.401 1.00 0.00 O ATOM 866 OD2 ASP A 58 -4.760 10.206 -5.209 1.00 0.00 O ATOM 0 H ASP A 58 -5.438 8.286 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.822 10.800 -9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.446 11.717 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.881 10.735 -7.262 1.00 0.00 H new ATOM 871 N GLY A 59 -2.936 9.627 -8.568 1.00 0.00 N ATOM 872 CA GLY A 59 -1.497 9.865 -8.675 1.00 0.00 C ATOM 873 C GLY A 59 -1.011 10.798 -7.564 1.00 0.00 C ATOM 874 O GLY A 59 -0.077 11.571 -7.764 1.00 0.00 O ATOM 0 H GLY A 59 -3.196 8.670 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.963 8.917 -8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.268 10.302 -9.647 1.00 0.00 H new ATOM 878 N ASN A 60 -1.654 10.733 -6.397 1.00 0.00 N ATOM 879 CA ASN A 60 -1.269 11.599 -5.281 1.00 0.00 C ATOM 880 C ASN A 60 0.047 11.150 -4.652 1.00 0.00 C ATOM 881 O ASN A 60 0.675 11.907 -3.915 1.00 0.00 O ATOM 882 CB ASN A 60 -2.354 11.601 -4.206 1.00 0.00 C ATOM 883 CG ASN A 60 -2.545 10.191 -3.665 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.886 9.257 -4.119 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.411 9.975 -2.712 1.00 0.00 N ATOM 0 H ASN A 60 -2.431 10.101 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.143 12.604 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.076 12.276 -3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.291 11.971 -4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.541 9.032 -2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.958 10.749 -2.335 1.00 0.00 H new ATOM 892 N GLY A 61 0.462 9.913 -4.930 1.00 0.00 N ATOM 893 CA GLY A 61 1.706 9.385 -4.363 1.00 0.00 C ATOM 894 C GLY A 61 1.420 8.503 -3.151 1.00 0.00 C ATOM 895 O GLY A 61 2.337 8.054 -2.463 1.00 0.00 O ATOM 0 H GLY A 61 -0.038 9.264 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.240 8.809 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.357 10.210 -4.072 1.00 0.00 H new ATOM 899 N THR A 62 0.137 8.259 -2.900 1.00 0.00 N ATOM 900 CA THR A 62 -0.293 7.424 -1.776 1.00 0.00 C ATOM 901 C THR A 62 -1.458 6.537 -2.205 1.00 0.00 C ATOM 902 O THR A 62 -1.987 6.684 -3.308 1.00 0.00 O ATOM 903 CB THR A 62 -0.721 8.305 -0.598 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.930 8.978 -0.928 1.00 0.00 O ATOM 905 CG2 THR A 62 0.371 9.336 -0.298 1.00 0.00 C ATOM 0 H THR A 62 -0.629 8.629 -3.462 1.00 0.00 H new ATOM 0 HA THR A 62 0.542 6.796 -1.465 1.00 0.00 H new ATOM 0 HB THR A 62 -0.877 7.681 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.207 9.542 -0.175 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.062 9.960 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.298 8.821 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.532 9.962 -1.176 1.00 0.00 H new ATOM 913 N ILE A 63 -1.868 5.628 -1.318 1.00 0.00 N ATOM 914 CA ILE A 63 -2.988 4.724 -1.607 1.00 0.00 C ATOM 915 C ILE A 63 -4.078 4.896 -0.554 1.00 0.00 C ATOM 916 O ILE A 63 -3.806 4.831 0.647 1.00 0.00 O ATOM 917 CB ILE A 63 -2.505 3.269 -1.604 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.161 3.171 -2.329 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.522 2.381 -2.330 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.738 1.703 -2.423 1.00 0.00 C ATOM 0 H ILE A 63 -1.446 5.497 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.390 4.968 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.396 2.937 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.242 3.602 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.404 3.745 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.173 1.348 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.485 2.441 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.632 2.721 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.219 1.633 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.641 1.287 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.491 1.142 -2.977 1.00 0.00 H new ATOM 932 N GLU A 64 -5.314 5.113 -1.002 1.00 0.00 N ATOM 933 CA GLU A 64 -6.433 5.296 -0.077 1.00 0.00 C ATOM 934 C GLU A 64 -7.149 3.961 0.149 1.00 0.00 C ATOM 935 O GLU A 64 -6.902 2.991 -0.564 1.00 0.00 O ATOM 936 CB GLU A 64 -7.417 6.336 -0.644 1.00 0.00 C ATOM 937 CG GLU A 64 -8.159 7.034 0.502 1.00 0.00 C ATOM 938 CD GLU A 64 -7.202 7.966 1.241 1.00 0.00 C ATOM 939 OE1 GLU A 64 -6.083 8.118 0.782 1.00 0.00 O ATOM 940 OE2 GLU A 64 -7.605 8.513 2.255 1.00 0.00 O ATOM 0 H GLU A 64 -5.565 5.166 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.050 5.656 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.878 7.072 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.131 5.849 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.004 7.601 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.565 6.293 1.191 1.00 0.00 H new ATOM 947 N PHE A 65 -8.030 3.914 1.146 1.00 0.00 N ATOM 948 CA PHE A 65 -8.752 2.686 1.443 1.00 0.00 C ATOM 949 C PHE A 65 -9.476 2.171 0.200 1.00 0.00 C ATOM 950 O PHE A 65 -9.351 0.997 -0.150 1.00 0.00 O ATOM 951 CB PHE A 65 -9.762 2.931 2.576 1.00 0.00 C ATOM 952 CG PHE A 65 -10.789 1.815 2.610 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.380 0.492 2.815 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.149 2.105 2.422 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.329 -0.540 2.834 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.096 1.073 2.439 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.688 -0.249 2.647 1.00 0.00 C ATOM 0 H PHE A 65 -8.257 4.702 1.753 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.033 1.931 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.241 2.986 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.260 3.889 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.334 0.266 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.466 3.125 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.013 -1.560 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.142 1.298 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.419 -1.044 2.664 1.00 0.00 H new ATOM 967 N ASP A 66 -10.235 3.037 -0.461 1.00 0.00 N ATOM 968 CA ASP A 66 -10.968 2.621 -1.649 1.00 0.00 C ATOM 969 C ASP A 66 -10.001 2.132 -2.715 1.00 0.00 C ATOM 970 O ASP A 66 -10.258 1.143 -3.400 1.00 0.00 O ATOM 971 CB ASP A 66 -11.793 3.790 -2.189 1.00 0.00 C ATOM 972 CG ASP A 66 -12.564 3.356 -3.432 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.185 2.308 -3.385 1.00 0.00 O ATOM 974 OD2 ASP A 66 -12.519 4.081 -4.412 1.00 0.00 O ATOM 0 H ASP A 66 -10.358 4.015 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.640 1.805 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.487 4.140 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.138 4.627 -2.431 1.00 0.00 H new ATOM 979 N GLU A 67 -8.877 2.825 -2.840 1.00 0.00 N ATOM 980 CA GLU A 67 -7.870 2.443 -3.815 1.00 0.00 C ATOM 981 C GLU A 67 -7.275 1.085 -3.455 1.00 0.00 C ATOM 982 O GLU A 67 -7.081 0.231 -4.319 1.00 0.00 O ATOM 983 CB GLU A 67 -6.765 3.497 -3.860 1.00 0.00 C ATOM 984 CG GLU A 67 -7.308 4.783 -4.483 1.00 0.00 C ATOM 985 CD GLU A 67 -6.223 5.853 -4.483 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.138 5.553 -4.023 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.489 6.953 -4.946 1.00 0.00 O ATOM 0 H GLU A 67 -8.643 3.647 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.340 2.373 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.397 3.696 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.920 3.128 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.643 4.591 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.176 5.132 -3.923 1.00 0.00 H new ATOM 994 N PHE A 68 -7.009 0.888 -2.170 1.00 0.00 N ATOM 995 CA PHE A 68 -6.455 -0.372 -1.695 1.00 0.00 C ATOM 996 C PHE A 68 -7.433 -1.518 -1.932 1.00 0.00 C ATOM 997 O PHE A 68 -7.033 -2.619 -2.310 1.00 0.00 O ATOM 998 CB PHE A 68 -6.119 -0.282 -0.207 1.00 0.00 C ATOM 999 CG PHE A 68 -5.517 -1.593 0.252 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.196 -1.918 -0.088 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.277 -2.481 1.024 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.640 -3.131 0.340 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.722 -3.691 1.451 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.404 -4.017 1.111 1.00 0.00 C ATOM 0 H PHE A 68 -7.168 1.583 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.541 -0.569 -2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.419 0.534 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.018 -0.061 0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.607 -1.233 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.293 -2.230 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.624 -3.383 0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.311 -4.375 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.976 -4.951 1.443 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.717 -1.257 -1.702 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.741 -2.278 -1.890 1.00 0.00 C ATOM 1016 C LEU A 69 -9.794 -2.715 -3.354 1.00 0.00 C ATOM 1017 O LEU A 69 -9.912 -3.901 -3.650 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.110 -1.719 -1.463 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.166 -2.852 -1.427 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.206 -3.493 -0.023 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.556 -2.285 -1.773 1.00 0.00 C ATOM 0 H LEU A 69 -9.071 -0.353 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.494 -3.144 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.030 -1.255 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.425 -0.941 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.893 -3.611 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.951 -4.288 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.227 -3.908 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.468 -2.735 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.293 -3.087 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.827 -1.518 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.532 -1.848 -2.771 1.00 0.00 H new ATOM 1033 N SER A 70 -9.681 -1.751 -4.260 1.00 0.00 N ATOM 1034 CA SER A 70 -9.697 -2.063 -5.683 1.00 0.00 C ATOM 1035 C SER A 70 -8.487 -2.915 -6.058 1.00 0.00 C ATOM 1036 O SER A 70 -8.619 -3.897 -6.783 1.00 0.00 O ATOM 1037 CB SER A 70 -9.696 -0.777 -6.511 1.00 0.00 C ATOM 1038 OG SER A 70 -9.444 -1.096 -7.874 1.00 0.00 O ATOM 0 H SER A 70 -9.579 -0.760 -4.039 1.00 0.00 H new ATOM 0 HA SER A 70 -10.606 -2.625 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.656 -0.269 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.934 -0.092 -6.139 1.00 0.00 H new ATOM 0 HG SER A 70 -9.444 -0.274 -8.408 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.317 -2.534 -5.558 1.00 0.00 N ATOM 1045 CA LEU A 71 -6.090 -3.266 -5.867 1.00 0.00 C ATOM 1046 C LEU A 71 -6.204 -4.722 -5.429 1.00 0.00 C ATOM 1047 O LEU A 71 -5.781 -5.633 -6.144 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.898 -2.613 -5.152 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.584 -3.317 -5.536 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.336 -3.206 -7.050 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.424 -2.654 -4.785 1.00 0.00 C ATOM 0 H LEU A 71 -7.190 -1.731 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.936 -3.234 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.842 -1.557 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.042 -2.664 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.655 -4.371 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.403 -3.709 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.159 -3.675 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.270 -2.155 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.489 -3.147 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.369 -1.600 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.588 -2.743 -3.711 1.00 0.00 H new ATOM 1063 N MET A 72 -6.791 -4.938 -4.262 1.00 0.00 N ATOM 1064 CA MET A 72 -6.962 -6.296 -3.759 1.00 0.00 C ATOM 1065 C MET A 72 -7.941 -7.069 -4.640 1.00 0.00 C ATOM 1066 O MET A 72 -7.606 -8.123 -5.180 1.00 0.00 O ATOM 1067 CB MET A 72 -7.479 -6.257 -2.315 1.00 0.00 C ATOM 1068 CG MET A 72 -6.408 -5.686 -1.375 1.00 0.00 C ATOM 1069 SD MET A 72 -5.137 -6.933 -1.055 1.00 0.00 S ATOM 1070 CE MET A 72 -5.995 -7.783 0.299 1.00 0.00 C ATOM 0 H MET A 72 -7.153 -4.205 -3.652 1.00 0.00 H new ATOM 0 HA MET A 72 -5.996 -6.801 -3.781 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.381 -5.647 -2.262 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.755 -7.262 -1.994 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.956 -4.800 -1.821 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.866 -5.372 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.764 -8.848 0.265 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.667 -7.371 1.253 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.071 -7.641 0.194 1.00 0.00 H new ATOM 1080 N ALA A 73 -9.149 -6.539 -4.795 1.00 0.00 N ATOM 1081 CA ALA A 73 -10.155 -7.192 -5.625 1.00 0.00 C ATOM 1082 C ALA A 73 -9.709 -7.225 -7.087 1.00 0.00 C ATOM 1083 O ALA A 73 -10.022 -8.165 -7.818 1.00 0.00 O ATOM 1084 CB ALA A 73 -11.491 -6.458 -5.512 1.00 0.00 C ATOM 0 H ALA A 73 -9.454 -5.667 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.276 -8.216 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.233 -6.955 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.825 -6.467 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.369 -5.427 -5.845 1.00 0.00 H new ATOM 1090 N LYS A 74 -8.968 -6.196 -7.505 1.00 0.00 N ATOM 1091 CA LYS A 74 -8.474 -6.122 -8.880 1.00 0.00 C ATOM 1092 C LYS A 74 -7.540 -7.290 -9.174 1.00 0.00 C ATOM 1093 O LYS A 74 -7.502 -7.790 -10.298 1.00 0.00 O ATOM 1094 CB LYS A 74 -7.759 -4.779 -9.120 1.00 0.00 C ATOM 1095 CG LYS A 74 -7.093 -4.746 -10.502 1.00 0.00 C ATOM 1096 CD LYS A 74 -6.432 -3.380 -10.729 1.00 0.00 C ATOM 1097 CE LYS A 74 -5.646 -3.421 -12.037 1.00 0.00 C ATOM 1098 NZ LYS A 74 -6.500 -4.012 -13.106 1.00 0.00 N ATOM 0 H LYS A 74 -8.699 -5.408 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.324 -6.185 -9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.476 -3.962 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.007 -4.621 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.347 -5.538 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.835 -4.934 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.189 -2.597 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.769 -3.140 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.334 -2.415 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.739 -4.012 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.198 -3.648 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.405 -5.048 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.493 -3.754 -12.939 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.776 -7.710 -8.175 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.854 -8.831 -8.361 1.00 0.00 C ATOM 1114 C LYS A 75 -6.602 -10.155 -8.240 1.00 0.00 C ATOM 1115 O LYS A 75 -6.401 -11.068 -9.041 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.718 -8.765 -7.336 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.714 -7.687 -7.760 1.00 0.00 C ATOM 1118 CD LYS A 75 -2.659 -7.515 -6.665 1.00 0.00 C ATOM 1119 CE LYS A 75 -1.857 -8.814 -6.498 1.00 0.00 C ATOM 1120 NZ LYS A 75 -2.581 -9.718 -5.560 1.00 0.00 N ATOM 0 H LYS A 75 -6.772 -7.302 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.422 -8.764 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.117 -8.537 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.221 -9.733 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.237 -7.968 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.230 -6.743 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.988 -6.695 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.140 -7.252 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.726 -9.302 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.861 -8.594 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.965 -9.949 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.440 -9.244 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.845 -10.593 -6.056 1.00 0.00 H new ATOM 1134 N VAL A 76 -7.470 -10.244 -7.238 1.00 0.00 N ATOM 1135 CA VAL A 76 -8.253 -11.453 -7.018 1.00 0.00 C ATOM 1136 C VAL A 76 -9.413 -11.526 -7.999 1.00 0.00 C ATOM 1137 O VAL A 76 -10.187 -12.482 -7.996 1.00 0.00 O ATOM 1138 CB VAL A 76 -8.792 -11.486 -5.581 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -9.569 -12.792 -5.346 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -7.619 -11.401 -4.601 1.00 0.00 C ATOM 0 H VAL A 76 -7.648 -9.496 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.601 -12.312 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.462 -10.641 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.949 -12.810 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.403 -12.850 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.906 -13.643 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.997 -11.424 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.950 -12.247 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.074 -10.471 -4.766 1.00 0.00 H new ATOM 1150 N LYS A 77 -9.548 -10.509 -8.839 1.00 0.00 N ATOM 1151 CA LYS A 77 -10.636 -10.493 -9.809 1.00 0.00 C ATOM 1152 C LYS A 77 -10.611 -11.764 -10.647 1.00 0.00 C ATOM 1153 O LYS A 77 -11.544 -12.047 -11.399 1.00 0.00 O ATOM 1154 CB LYS A 77 -10.501 -9.268 -10.713 1.00 0.00 C ATOM 1155 CG LYS A 77 -11.736 -9.120 -11.611 1.00 0.00 C ATOM 1156 CD LYS A 77 -11.666 -7.771 -12.369 1.00 0.00 C ATOM 1157 CE LYS A 77 -12.502 -6.719 -11.633 1.00 0.00 C ATOM 1158 NZ LYS A 77 -12.169 -6.761 -10.180 1.00 0.00 N ATOM 0 H LYS A 77 -8.931 -9.698 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.586 -10.444 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.378 -8.372 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.606 -9.361 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.784 -9.946 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.644 -9.164 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.631 -7.439 -12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.035 -7.896 -13.387 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.299 -5.727 -12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.565 -6.912 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.558 -5.918 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.581 -7.616 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.136 -6.778 -10.061 1.00 0.00 H new ATOM 1172 N ASP A 78 -9.533 -12.525 -10.526 1.00 0.00 N ATOM 1173 CA ASP A 78 -9.408 -13.755 -11.300 1.00 0.00 C ATOM 1174 C ASP A 78 -10.603 -14.669 -11.048 1.00 0.00 C ATOM 1175 O ASP A 78 -11.293 -15.065 -11.986 1.00 0.00 O ATOM 1176 CB ASP A 78 -8.117 -14.481 -10.928 1.00 0.00 C ATOM 1177 CG ASP A 78 -8.154 -14.901 -9.463 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -8.701 -14.158 -8.668 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -7.640 -15.963 -9.160 1.00 0.00 O ATOM 0 H ASP A 78 -8.745 -12.320 -9.912 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.381 -13.494 -12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.988 -15.358 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.261 -13.830 -11.106 1.00 0.00 H new ATOM 1184 N THR A 79 -10.849 -14.995 -9.784 1.00 0.00 N ATOM 1185 CA THR A 79 -11.973 -15.861 -9.436 1.00 0.00 C ATOM 1186 C THR A 79 -13.245 -15.039 -9.254 1.00 0.00 C ATOM 1187 O THR A 79 -14.199 -15.567 -8.710 1.00 0.00 O ATOM 1188 CB THR A 79 -11.663 -16.635 -8.148 1.00 0.00 C ATOM 1189 OG1 THR A 79 -12.811 -17.369 -7.754 1.00 0.00 O ATOM 1190 CG2 THR A 79 -11.272 -15.662 -7.034 1.00 0.00 C ATOM 1191 OXT THR A 79 -13.246 -13.890 -9.670 1.00 0.00 O ATOM 0 H THR A 79 -10.293 -14.678 -8.990 1.00 0.00 H new ATOM 0 HA THR A 79 -12.128 -16.569 -10.250 1.00 0.00 H new ATOM 0 HB THR A 79 -10.834 -17.318 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.570 -16.758 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.054 -16.220 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.388 -15.100 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.095 -14.972 -6.848 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 1.343 6.630 6.811 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.988 8.063 -3.995 1.00 0.00 CA