USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 56:sc= 0.717 USER MOD Set 1.2: A 6 GLN : amide:sc= 0.53 K(o=1.2,f=-5.1!) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0301 (180deg=-0.318) USER MOD Single : A 1 MET N :NH3+ -131:sc=-0.00428 (180deg=-0.571) USER MOD Single : A 2 SER OG : rot 180:sc= -0.142 USER MOD Single : A 18 MET CE :methyl -162:sc= -0.0075 (180deg=-0.258) USER MOD Single : A 19 MET CE :methyl -125:sc=-0.00376 (180deg=-0.642) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0301 (180deg=-0.262) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.01 K(o=1,f=-0.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 24:sc= 0.0103 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.377 K(o=0.38,f=-0.69) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.129 (180deg=-0.634) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 106 MET CE :methyl -173:sc= -2.45! (180deg=-2.78!) USER MOD Single : A 111 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.543 2.481 -7.219 1.00 0.00 N ATOM 2 CA MET A 1 3.286 2.605 -5.771 1.00 0.00 C ATOM 3 C MET A 1 4.597 2.737 -5.004 1.00 0.00 C ATOM 4 O MET A 1 5.653 2.377 -5.519 1.00 0.00 O ATOM 5 CB MET A 1 2.487 1.404 -5.250 1.00 0.00 C ATOM 6 CG MET A 1 1.120 1.332 -5.929 1.00 0.00 C ATOM 7 SD MET A 1 0.119 -0.093 -5.429 1.00 0.00 S ATOM 8 CE MET A 1 -0.163 0.327 -3.691 1.00 0.00 C ATOM 0 H1 MET A 1 2.937 3.149 -7.738 1.00 0.00 H new ATOM 0 H2 MET A 1 4.542 2.696 -7.414 1.00 0.00 H new ATOM 0 H3 MET A 1 3.332 1.510 -7.527 1.00 0.00 H new ATOM 0 HA MET A 1 2.694 3.506 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.041 0.484 -5.436 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.359 1.486 -4.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.568 2.246 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.264 1.300 -7.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.971 -0.288 -3.294 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.747 0.143 -3.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.436 1.379 -3.611 1.00 0.00 H new ATOM 20 N SER A 2 4.516 3.255 -3.771 1.00 0.00 N ATOM 21 CA SER A 2 5.674 3.520 -2.920 1.00 0.00 C ATOM 22 C SER A 2 6.638 4.532 -3.550 1.00 0.00 C ATOM 23 O SER A 2 6.567 4.822 -4.744 1.00 0.00 O ATOM 24 CB SER A 2 6.372 2.198 -2.567 1.00 0.00 C ATOM 25 OG SER A 2 7.485 2.449 -1.737 1.00 0.00 O ATOM 0 H SER A 2 3.629 3.504 -3.334 1.00 0.00 H new ATOM 0 HA SER A 2 5.323 3.982 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.673 1.532 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.693 1.692 -3.477 1.00 0.00 H new ATOM 0 HG SER A 2 7.925 1.602 -1.514 1.00 0.00 H new ATOM 31 N ALA A 3 7.544 5.075 -2.731 1.00 0.00 N ATOM 32 CA ALA A 3 8.535 6.043 -3.184 1.00 0.00 C ATOM 33 C ALA A 3 9.775 5.341 -3.741 1.00 0.00 C ATOM 34 O ALA A 3 10.736 6.004 -4.134 1.00 0.00 O ATOM 35 CB ALA A 3 8.897 6.964 -2.019 1.00 0.00 C ATOM 0 H ALA A 3 7.607 4.853 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 3 8.115 6.638 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.638 7.692 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.003 7.485 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.308 6.372 -1.201 1.00 0.00 H new ATOM 41 N LEU A 4 9.758 4.004 -3.773 1.00 0.00 N ATOM 42 CA LEU A 4 10.876 3.216 -4.263 1.00 0.00 C ATOM 43 C LEU A 4 10.392 1.844 -4.720 1.00 0.00 C ATOM 44 O LEU A 4 9.777 1.115 -3.943 1.00 0.00 O ATOM 45 CB LEU A 4 11.911 3.085 -3.135 1.00 0.00 C ATOM 46 CG LEU A 4 12.978 2.024 -3.420 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.761 2.372 -4.683 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.954 1.972 -2.251 1.00 0.00 C ATOM 0 H LEU A 4 8.965 3.445 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 4 11.335 3.708 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.397 4.049 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.398 2.836 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 4 12.483 1.063 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.514 1.605 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.079 2.422 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.250 3.337 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.717 1.218 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.429 2.946 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.416 1.715 -1.339 1.00 0.00 H new ATOM 60 N THR A 5 10.669 1.497 -5.980 1.00 0.00 N ATOM 61 CA THR A 5 10.297 0.195 -6.527 1.00 0.00 C ATOM 62 C THR A 5 11.293 -0.147 -7.631 1.00 0.00 C ATOM 63 O THR A 5 11.769 -1.280 -7.691 1.00 0.00 O ATOM 64 CB THR A 5 8.891 0.269 -7.140 1.00 0.00 C ATOM 65 OG1 THR A 5 8.566 1.590 -7.522 1.00 0.00 O ATOM 66 CG2 THR A 5 7.856 -0.208 -6.125 1.00 0.00 C ATOM 0 H THR A 5 11.152 2.105 -6.641 1.00 0.00 H new ATOM 0 HA THR A 5 10.305 -0.558 -5.739 1.00 0.00 H new ATOM 0 HB THR A 5 8.883 -0.370 -8.023 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.250 1.931 -8.136 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.861 -0.153 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.071 -1.239 -5.843 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.896 0.426 -5.239 1.00 0.00 H new ATOM 74 N GLN A 6 11.625 0.810 -8.505 1.00 0.00 N ATOM 75 CA GLN A 6 12.567 0.560 -9.589 1.00 0.00 C ATOM 76 C GLN A 6 13.986 0.571 -9.050 1.00 0.00 C ATOM 77 O GLN A 6 14.464 1.601 -8.580 1.00 0.00 O ATOM 78 CB GLN A 6 12.400 1.598 -10.705 1.00 0.00 C ATOM 79 CG GLN A 6 11.036 1.460 -11.393 1.00 0.00 C ATOM 80 CD GLN A 6 9.891 2.050 -10.576 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.106 2.791 -9.618 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.659 1.725 -10.951 1.00 0.00 N ATOM 0 H GLN A 6 11.254 1.760 -8.479 1.00 0.00 H new ATOM 0 HA GLN A 6 12.361 -0.422 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.501 2.601 -10.290 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.195 1.476 -11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.074 1.954 -12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.835 0.405 -11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.515 1.108 -11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.857 2.093 -10.440 1.00 0.00 H new ATOM 91 N ILE A 7 14.657 -0.581 -9.117 1.00 0.00 N ATOM 92 CA ILE A 7 16.027 -0.720 -8.650 1.00 0.00 C ATOM 93 C ILE A 7 16.890 -1.382 -9.719 1.00 0.00 C ATOM 94 O ILE A 7 16.464 -2.354 -10.345 1.00 0.00 O ATOM 95 CB ILE A 7 16.049 -1.505 -7.330 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.247 -0.729 -6.273 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.499 -1.708 -6.875 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.370 -1.347 -4.880 1.00 0.00 C ATOM 0 H ILE A 7 14.261 -1.440 -9.498 1.00 0.00 H new ATOM 0 HA ILE A 7 16.448 0.268 -8.461 1.00 0.00 H new ATOM 0 HB ILE A 7 15.594 -2.486 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.595 0.303 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.197 -0.702 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.512 -2.265 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.045 -2.266 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.973 -0.738 -6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.786 -0.762 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.996 -2.371 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.416 -1.349 -4.574 1.00 0.00 H new ATOM 110 N LEU A 8 18.101 -0.854 -9.923 1.00 0.00 N ATOM 111 CA LEU A 8 19.078 -1.455 -10.817 1.00 0.00 C ATOM 112 C LEU A 8 20.136 -2.190 -10.000 1.00 0.00 C ATOM 113 O LEU A 8 20.408 -1.822 -8.857 1.00 0.00 O ATOM 114 CB LEU A 8 19.728 -0.375 -11.690 1.00 0.00 C ATOM 115 CG LEU A 8 20.391 -1.007 -12.922 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.365 -1.145 -14.048 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.551 -0.156 -13.421 1.00 0.00 C ATOM 0 H LEU A 8 18.425 0.001 -9.471 1.00 0.00 H new ATOM 0 HA LEU A 8 18.577 -2.170 -11.470 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.975 0.348 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.471 0.171 -11.110 1.00 0.00 H new ATOM 0 HG LEU A 8 20.770 -1.987 -12.631 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.840 -1.594 -14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.543 -1.779 -13.716 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.979 -0.160 -14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.000 -0.629 -14.294 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.185 0.834 -13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.299 -0.063 -12.634 1.00 0.00 H new ATOM 129 N ILE A 9 20.735 -3.230 -10.581 1.00 0.00 N ATOM 130 CA ILE A 9 21.805 -3.978 -9.936 1.00 0.00 C ATOM 131 C ILE A 9 23.052 -3.916 -10.808 1.00 0.00 C ATOM 132 O ILE A 9 22.955 -3.949 -12.034 1.00 0.00 O ATOM 133 CB ILE A 9 21.355 -5.426 -9.684 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.985 -5.465 -8.990 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.398 -6.163 -8.836 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.396 -6.877 -9.031 1.00 0.00 C ATOM 0 H ILE A 9 20.490 -3.574 -11.510 1.00 0.00 H new ATOM 0 HA ILE A 9 22.042 -3.537 -8.968 1.00 0.00 H new ATOM 0 HB ILE A 9 21.262 -5.926 -10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 9 20.087 -5.138 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.305 -4.768 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 9 22.069 -7.188 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.353 -6.172 -9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.515 -5.654 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.426 -6.881 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 9 19.274 -7.190 -10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.068 -7.567 -8.520 1.00 0.00 H new ATOM 148 N VAL A 10 24.230 -3.828 -10.182 1.00 0.00 N ATOM 149 CA VAL A 10 25.486 -3.732 -10.910 1.00 0.00 C ATOM 150 C VAL A 10 26.544 -4.610 -10.255 1.00 0.00 C ATOM 151 O VAL A 10 27.149 -4.220 -9.256 1.00 0.00 O ATOM 152 CB VAL A 10 25.947 -2.270 -10.987 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.171 -2.171 -11.899 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.839 -1.367 -11.523 1.00 0.00 C ATOM 0 H VAL A 10 24.333 -3.822 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 10 25.334 -4.090 -11.928 1.00 0.00 H new ATOM 0 HB VAL A 10 26.201 -1.938 -9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.500 -1.133 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.976 -2.786 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.911 -2.523 -12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.197 -0.338 -11.565 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.555 -1.694 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.973 -1.423 -10.863 1.00 0.00 H new ATOM 164 N GLU A 11 26.767 -5.795 -10.820 1.00 0.00 N ATOM 165 CA GLU A 11 27.730 -6.754 -10.299 1.00 0.00 C ATOM 166 C GLU A 11 28.017 -7.822 -11.355 1.00 0.00 C ATOM 167 O GLU A 11 27.363 -7.858 -12.396 1.00 0.00 O ATOM 168 CB GLU A 11 27.175 -7.396 -9.025 1.00 0.00 C ATOM 169 CG GLU A 11 25.918 -8.216 -9.316 1.00 0.00 C ATOM 170 CD GLU A 11 25.247 -8.671 -8.024 1.00 0.00 C ATOM 171 OE1 GLU A 11 25.851 -8.463 -6.947 1.00 0.00 O ATOM 172 OE2 GLU A 11 24.134 -9.226 -8.132 1.00 0.00 O ATOM 0 H GLU A 11 26.280 -6.116 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 11 28.662 -6.243 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 11 27.935 -8.038 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.944 -6.620 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.219 -7.620 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.179 -9.085 -9.919 1.00 0.00 H new ATOM 179 N ASP A 12 28.995 -8.688 -11.082 1.00 0.00 N ATOM 180 CA ASP A 12 29.409 -9.711 -12.031 1.00 0.00 C ATOM 181 C ASP A 12 29.178 -11.136 -11.509 1.00 0.00 C ATOM 182 O ASP A 12 29.291 -12.099 -12.264 1.00 0.00 O ATOM 183 CB ASP A 12 30.868 -9.462 -12.435 1.00 0.00 C ATOM 184 CG ASP A 12 31.438 -10.572 -13.318 1.00 0.00 C ATOM 185 OD1 ASP A 12 30.792 -10.887 -14.344 1.00 0.00 O ATOM 186 OD2 ASP A 12 32.519 -11.090 -12.957 1.00 0.00 O ATOM 0 H ASP A 12 29.515 -8.697 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 12 28.781 -9.634 -12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 12 30.936 -8.512 -12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.478 -9.370 -11.536 1.00 0.00 H new ATOM 191 N GLU A 13 28.853 -11.289 -10.218 1.00 0.00 N ATOM 192 CA GLU A 13 28.612 -12.608 -9.650 1.00 0.00 C ATOM 193 C GLU A 13 27.188 -13.067 -9.994 1.00 0.00 C ATOM 194 O GLU A 13 26.234 -12.320 -9.778 1.00 0.00 O ATOM 195 CB GLU A 13 28.814 -12.553 -8.133 1.00 0.00 C ATOM 196 CG GLU A 13 28.737 -13.960 -7.538 1.00 0.00 C ATOM 197 CD GLU A 13 29.211 -14.001 -6.082 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.677 -12.949 -5.589 1.00 0.00 O ATOM 199 OE2 GLU A 13 29.097 -15.089 -5.478 1.00 0.00 O ATOM 0 H GLU A 13 28.753 -10.518 -9.558 1.00 0.00 H new ATOM 0 HA GLU A 13 29.316 -13.326 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 13 29.781 -12.106 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.053 -11.917 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.710 -14.320 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 13 29.346 -14.639 -8.135 1.00 0.00 H new ATOM 206 N PRO A 14 27.028 -14.290 -10.522 1.00 0.00 N ATOM 207 CA PRO A 14 25.728 -14.827 -10.888 1.00 0.00 C ATOM 208 C PRO A 14 24.903 -15.183 -9.661 1.00 0.00 C ATOM 209 O PRO A 14 23.686 -15.000 -9.662 1.00 0.00 O ATOM 210 CB PRO A 14 26.023 -16.082 -11.708 1.00 0.00 C ATOM 211 CG PRO A 14 27.437 -16.500 -11.303 1.00 0.00 C ATOM 212 CD PRO A 14 28.101 -15.209 -10.840 1.00 0.00 C ATOM 0 HA PRO A 14 25.145 -14.094 -11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.302 -16.871 -11.494 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.963 -15.877 -12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.418 -17.244 -10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.975 -16.944 -12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.731 -15.387 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.744 -14.801 -11.620 1.00 0.00 H new ATOM 220 N LEU A 15 25.551 -15.690 -8.608 1.00 0.00 N ATOM 221 CA LEU A 15 24.843 -16.155 -7.427 1.00 0.00 C ATOM 222 C LEU A 15 24.103 -15.000 -6.758 1.00 0.00 C ATOM 223 O LEU A 15 22.957 -15.161 -6.350 1.00 0.00 O ATOM 224 CB LEU A 15 25.835 -16.786 -6.446 1.00 0.00 C ATOM 225 CG LEU A 15 26.122 -18.254 -6.783 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.838 -18.400 -8.125 1.00 0.00 C ATOM 227 CD2 LEU A 15 27.007 -18.849 -5.686 1.00 0.00 C ATOM 0 H LEU A 15 26.565 -15.786 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 15 24.110 -16.904 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.768 -16.222 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.437 -16.718 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 15 25.169 -18.778 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.023 -19.455 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.215 -17.983 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.787 -17.866 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 15 27.218 -19.894 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.943 -18.293 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.491 -18.785 -4.728 1.00 0.00 H new ATOM 239 N ILE A 16 24.747 -13.837 -6.643 1.00 0.00 N ATOM 240 CA ILE A 16 24.129 -12.692 -5.980 1.00 0.00 C ATOM 241 C ILE A 16 23.077 -12.070 -6.898 1.00 0.00 C ATOM 242 O ILE A 16 22.080 -11.536 -6.415 1.00 0.00 O ATOM 243 CB ILE A 16 25.205 -11.666 -5.607 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.401 -12.325 -4.903 1.00 0.00 C ATOM 245 CG2 ILE A 16 24.610 -10.576 -4.714 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.014 -12.997 -3.581 1.00 0.00 C ATOM 0 H ILE A 16 25.688 -13.666 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 16 23.636 -13.021 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 16 25.567 -11.219 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.844 -13.067 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.165 -11.571 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.385 -9.854 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 16 23.804 -10.070 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.217 -11.027 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.898 -13.446 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.597 -12.252 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.271 -13.772 -3.770 1.00 0.00 H new ATOM 258 N ALA A 17 23.286 -12.142 -8.217 1.00 0.00 N ATOM 259 CA ALA A 17 22.355 -11.568 -9.176 1.00 0.00 C ATOM 260 C ALA A 17 21.051 -12.359 -9.193 1.00 0.00 C ATOM 261 O ALA A 17 19.975 -11.778 -9.318 1.00 0.00 O ATOM 262 CB ALA A 17 23.000 -11.568 -10.559 1.00 0.00 C ATOM 0 H ALA A 17 24.096 -12.595 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 17 22.122 -10.543 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.308 -11.139 -11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.914 -10.974 -10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.240 -12.591 -10.848 1.00 0.00 H new ATOM 268 N MET A 18 21.140 -13.687 -9.062 1.00 0.00 N ATOM 269 CA MET A 18 19.967 -14.542 -9.007 1.00 0.00 C ATOM 270 C MET A 18 19.172 -14.287 -7.737 1.00 0.00 C ATOM 271 O MET A 18 17.944 -14.355 -7.746 1.00 0.00 O ATOM 272 CB MET A 18 20.423 -16.001 -9.044 1.00 0.00 C ATOM 273 CG MET A 18 20.246 -16.533 -10.459 1.00 0.00 C ATOM 274 SD MET A 18 20.871 -18.213 -10.725 1.00 0.00 S ATOM 275 CE MET A 18 22.651 -17.896 -10.579 1.00 0.00 C ATOM 0 H MET A 18 22.025 -14.189 -8.992 1.00 0.00 H new ATOM 0 HA MET A 18 19.324 -14.324 -9.860 1.00 0.00 H new ATOM 0 HB2 MET A 18 21.467 -16.078 -8.739 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.841 -16.597 -8.341 1.00 0.00 H new ATOM 0 HG2 MET A 18 19.185 -16.511 -10.710 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.751 -15.859 -11.151 1.00 0.00 H new ATOM 0 HE1 MET A 18 23.205 -18.724 -11.021 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.900 -16.973 -11.102 1.00 0.00 H new ATOM 0 HE3 MET A 18 22.918 -17.801 -9.527 1.00 0.00 H new ATOM 285 N MET A 19 19.875 -13.991 -6.645 1.00 0.00 N ATOM 286 CA MET A 19 19.233 -13.816 -5.356 1.00 0.00 C ATOM 287 C MET A 19 18.571 -12.445 -5.254 1.00 0.00 C ATOM 288 O MET A 19 17.527 -12.309 -4.617 1.00 0.00 O ATOM 289 CB MET A 19 20.281 -14.025 -4.262 1.00 0.00 C ATOM 290 CG MET A 19 20.716 -15.496 -4.251 1.00 0.00 C ATOM 291 SD MET A 19 19.460 -16.663 -3.659 1.00 0.00 S ATOM 292 CE MET A 19 19.427 -16.207 -1.907 1.00 0.00 C ATOM 0 H MET A 19 20.888 -13.869 -6.633 1.00 0.00 H new ATOM 0 HA MET A 19 18.437 -14.551 -5.234 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.142 -13.381 -4.439 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.870 -13.748 -3.291 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.007 -15.781 -5.262 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.603 -15.592 -3.625 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.610 -17.092 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 19 20.200 -15.464 -1.710 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.451 -15.790 -1.658 1.00 0.00 H new ATOM 302 N LEU A 20 19.164 -11.422 -5.878 1.00 0.00 N ATOM 303 CA LEU A 20 18.603 -10.074 -5.847 1.00 0.00 C ATOM 304 C LEU A 20 17.398 -9.972 -6.779 1.00 0.00 C ATOM 305 O LEU A 20 16.499 -9.172 -6.530 1.00 0.00 O ATOM 306 CB LEU A 20 19.676 -9.064 -6.253 1.00 0.00 C ATOM 307 CG LEU A 20 20.726 -8.878 -5.156 1.00 0.00 C ATOM 308 CD1 LEU A 20 21.867 -8.018 -5.693 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.125 -8.168 -3.946 1.00 0.00 C ATOM 0 H LEU A 20 20.031 -11.505 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 20 18.268 -9.853 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.163 -9.399 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.207 -8.105 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 20 21.087 -9.862 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.618 -7.883 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.320 -8.511 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.478 -7.046 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.890 -8.047 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.754 -7.188 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.302 -8.761 -3.548 1.00 0.00 H new ATOM 321 N GLU A 21 17.365 -10.776 -7.845 1.00 0.00 N ATOM 322 CA GLU A 21 16.217 -10.804 -8.743 1.00 0.00 C ATOM 323 C GLU A 21 15.007 -11.406 -8.030 1.00 0.00 C ATOM 324 O GLU A 21 13.878 -10.966 -8.247 1.00 0.00 O ATOM 325 CB GLU A 21 16.570 -11.625 -9.985 1.00 0.00 C ATOM 326 CG GLU A 21 17.489 -10.831 -10.922 1.00 0.00 C ATOM 327 CD GLU A 21 16.718 -9.813 -11.766 1.00 0.00 C ATOM 328 OE1 GLU A 21 17.393 -9.032 -12.471 1.00 0.00 O ATOM 329 OE2 GLU A 21 15.470 -9.827 -11.703 1.00 0.00 O ATOM 0 H GLU A 21 18.119 -11.412 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 21 15.965 -9.788 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.061 -12.551 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.658 -11.903 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.245 -10.313 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.016 -11.521 -11.581 1.00 0.00 H new ATOM 336 N ASP A 22 15.243 -12.408 -7.179 1.00 0.00 N ATOM 337 CA ASP A 22 14.179 -13.073 -6.453 1.00 0.00 C ATOM 338 C ASP A 22 13.638 -12.184 -5.328 1.00 0.00 C ATOM 339 O ASP A 22 12.426 -12.089 -5.133 1.00 0.00 O ATOM 340 CB ASP A 22 14.710 -14.402 -5.899 1.00 0.00 C ATOM 341 CG ASP A 22 13.672 -15.148 -5.058 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.462 -14.933 -5.295 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.104 -15.933 -4.185 1.00 0.00 O ATOM 0 H ASP A 22 16.175 -12.773 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 22 13.349 -13.270 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.024 -15.037 -6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.594 -14.210 -5.291 1.00 0.00 H new ATOM 348 N PHE A 23 14.535 -11.526 -4.587 1.00 0.00 N ATOM 349 CA PHE A 23 14.136 -10.722 -3.437 1.00 0.00 C ATOM 350 C PHE A 23 13.395 -9.435 -3.771 1.00 0.00 C ATOM 351 O PHE A 23 12.557 -8.986 -2.991 1.00 0.00 O ATOM 352 CB PHE A 23 15.332 -10.446 -2.528 1.00 0.00 C ATOM 353 CG PHE A 23 15.787 -11.641 -1.724 1.00 0.00 C ATOM 354 CD1 PHE A 23 14.864 -12.395 -0.981 1.00 0.00 C ATOM 355 CD2 PHE A 23 17.143 -11.992 -1.710 1.00 0.00 C ATOM 356 CE1 PHE A 23 15.298 -13.499 -0.235 1.00 0.00 C ATOM 357 CE2 PHE A 23 17.576 -13.095 -0.958 1.00 0.00 C ATOM 358 CZ PHE A 23 16.654 -13.851 -0.224 1.00 0.00 C ATOM 0 H PHE A 23 15.539 -11.537 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 23 13.404 -11.332 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.164 -10.094 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.075 -9.638 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.819 -12.124 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.856 -11.413 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 23 14.586 -14.080 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 23 18.623 -13.361 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.987 -14.703 0.349 1.00 0.00 H new ATOM 368 N LEU A 24 13.690 -8.825 -4.919 1.00 0.00 N ATOM 369 CA LEU A 24 13.022 -7.592 -5.301 1.00 0.00 C ATOM 370 C LEU A 24 11.601 -7.898 -5.759 1.00 0.00 C ATOM 371 O LEU A 24 10.685 -7.128 -5.481 1.00 0.00 O ATOM 372 CB LEU A 24 13.815 -6.900 -6.416 1.00 0.00 C ATOM 373 CG LEU A 24 15.133 -6.331 -5.884 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.976 -5.826 -7.050 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.865 -5.163 -4.934 1.00 0.00 C ATOM 0 H LEU A 24 14.379 -9.163 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 24 12.972 -6.921 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.019 -7.611 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.217 -6.097 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 24 15.660 -7.120 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.915 -5.421 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.185 -6.650 -7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.432 -5.045 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.812 -4.770 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.329 -4.377 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.263 -5.508 -4.093 1.00 0.00 H new ATOM 387 N GLU A 25 11.409 -9.017 -6.457 1.00 0.00 N ATOM 388 CA GLU A 25 10.105 -9.373 -6.993 1.00 0.00 C ATOM 389 C GLU A 25 9.137 -9.770 -5.878 1.00 0.00 C ATOM 390 O GLU A 25 7.948 -9.458 -5.956 1.00 0.00 O ATOM 391 CB GLU A 25 10.292 -10.511 -7.993 1.00 0.00 C ATOM 392 CG GLU A 25 8.960 -11.080 -8.502 1.00 0.00 C ATOM 393 CD GLU A 25 8.183 -10.088 -9.368 1.00 0.00 C ATOM 394 OE1 GLU A 25 7.055 -10.448 -9.772 1.00 0.00 O ATOM 395 OE2 GLU A 25 8.712 -8.984 -9.622 1.00 0.00 O ATOM 0 H GLU A 25 12.146 -9.692 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 25 9.667 -8.510 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.876 -10.152 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.868 -11.309 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.153 -11.985 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.345 -11.370 -7.650 1.00 0.00 H new ATOM 402 N VAL A 26 9.631 -10.454 -4.840 1.00 0.00 N ATOM 403 CA VAL A 26 8.790 -10.890 -3.734 1.00 0.00 C ATOM 404 C VAL A 26 8.434 -9.739 -2.793 1.00 0.00 C ATOM 405 O VAL A 26 7.424 -9.795 -2.095 1.00 0.00 O ATOM 406 CB VAL A 26 9.457 -12.058 -2.999 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.622 -11.568 -2.143 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.451 -12.771 -2.099 1.00 0.00 C ATOM 0 H VAL A 26 10.613 -10.715 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 26 7.843 -11.243 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 26 9.829 -12.751 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.079 -12.415 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.364 -11.085 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.256 -10.853 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.943 -13.597 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.059 -12.069 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.631 -13.157 -2.704 1.00 0.00 H new ATOM 418 N LEU A 27 9.260 -8.687 -2.773 1.00 0.00 N ATOM 419 CA LEU A 27 8.972 -7.475 -2.020 1.00 0.00 C ATOM 420 C LEU A 27 8.099 -6.526 -2.844 1.00 0.00 C ATOM 421 O LEU A 27 7.970 -5.351 -2.507 1.00 0.00 O ATOM 422 CB LEU A 27 10.280 -6.796 -1.599 1.00 0.00 C ATOM 423 CG LEU A 27 11.041 -7.617 -0.551 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.399 -6.970 -0.300 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.274 -7.661 0.771 1.00 0.00 C ATOM 0 H LEU A 27 10.145 -8.658 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 27 8.418 -7.741 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.912 -6.651 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.062 -5.807 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 27 11.158 -8.633 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.946 -7.549 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.968 -6.945 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.256 -5.953 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.835 -8.249 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.142 -6.647 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.298 -8.118 0.610 1.00 0.00 H new ATOM 437 N ASP A 28 7.501 -7.028 -3.931 1.00 0.00 N ATOM 438 CA ASP A 28 6.674 -6.237 -4.834 1.00 0.00 C ATOM 439 C ASP A 28 7.416 -5.062 -5.471 1.00 0.00 C ATOM 440 O ASP A 28 6.795 -4.089 -5.899 1.00 0.00 O ATOM 441 CB ASP A 28 5.355 -5.825 -4.165 1.00 0.00 C ATOM 442 CG ASP A 28 4.420 -7.010 -3.930 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.762 -8.128 -4.372 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.360 -6.782 -3.304 1.00 0.00 O ATOM 0 H ASP A 28 7.582 -8.007 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 28 6.420 -6.886 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.571 -5.343 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.851 -5.087 -4.789 1.00 0.00 H new ATOM 449 N LYS A 29 8.751 -5.152 -5.534 1.00 0.00 N ATOM 450 CA LYS A 29 9.575 -4.134 -6.175 1.00 0.00 C ATOM 451 C LYS A 29 9.832 -4.552 -7.619 1.00 0.00 C ATOM 452 O LYS A 29 9.292 -5.556 -8.083 1.00 0.00 O ATOM 453 CB LYS A 29 10.895 -3.964 -5.408 1.00 0.00 C ATOM 454 CG LYS A 29 10.676 -3.797 -3.901 1.00 0.00 C ATOM 455 CD LYS A 29 9.772 -2.601 -3.595 1.00 0.00 C ATOM 456 CE LYS A 29 9.529 -2.480 -2.087 1.00 0.00 C ATOM 457 NZ LYS A 29 10.791 -2.249 -1.358 1.00 0.00 N ATOM 0 H LYS A 29 9.282 -5.930 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 29 9.059 -3.174 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.530 -4.832 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.427 -3.095 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.230 -4.705 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.637 -3.664 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.231 -1.686 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.820 -2.715 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.839 -1.659 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.055 -3.390 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.580 -1.938 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.340 -3.132 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.344 -1.515 -1.845 1.00 0.00 H new ATOM 471 N THR A 30 10.658 -3.788 -8.333 1.00 0.00 N ATOM 472 CA THR A 30 10.950 -4.066 -9.731 1.00 0.00 C ATOM 473 C THR A 30 12.437 -4.008 -10.076 1.00 0.00 C ATOM 474 O THR A 30 13.024 -2.926 -10.072 1.00 0.00 O ATOM 475 CB THR A 30 10.125 -3.167 -10.654 1.00 0.00 C ATOM 476 OG1 THR A 30 8.858 -2.911 -10.087 1.00 0.00 O ATOM 477 CG2 THR A 30 9.956 -3.826 -12.019 1.00 0.00 C ATOM 0 H THR A 30 11.137 -2.968 -7.960 1.00 0.00 H new ATOM 0 HA THR A 30 10.654 -5.102 -9.898 1.00 0.00 H new ATOM 0 HB THR A 30 10.654 -2.222 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.342 -2.334 -10.687 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.367 -3.176 -12.666 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.936 -3.993 -12.466 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.444 -4.781 -11.901 1.00 0.00 H new ATOM 485 N PRO A 31 13.054 -5.157 -10.384 1.00 0.00 N ATOM 486 CA PRO A 31 14.399 -5.217 -10.917 1.00 0.00 C ATOM 487 C PRO A 31 14.362 -4.799 -12.390 1.00 0.00 C ATOM 488 O PRO A 31 14.179 -5.636 -13.274 1.00 0.00 O ATOM 489 CB PRO A 31 14.834 -6.673 -10.753 1.00 0.00 C ATOM 490 CG PRO A 31 13.519 -7.456 -10.806 1.00 0.00 C ATOM 491 CD PRO A 31 12.478 -6.486 -10.241 1.00 0.00 C ATOM 0 HA PRO A 31 15.097 -4.551 -10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.514 -6.979 -11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.356 -6.831 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.274 -7.753 -11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.575 -8.369 -10.213 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.536 -6.564 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.263 -6.708 -9.196 1.00 0.00 H new ATOM 499 N VAL A 32 14.532 -3.502 -12.659 1.00 0.00 N ATOM 500 CA VAL A 32 14.396 -2.966 -14.010 1.00 0.00 C ATOM 501 C VAL A 32 15.616 -3.243 -14.887 1.00 0.00 C ATOM 502 O VAL A 32 15.642 -2.835 -16.049 1.00 0.00 O ATOM 503 CB VAL A 32 14.069 -1.469 -13.969 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.912 -1.197 -13.010 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.279 -0.649 -13.521 1.00 0.00 C ATOM 0 H VAL A 32 14.765 -2.803 -11.953 1.00 0.00 H new ATOM 0 HA VAL A 32 13.562 -3.492 -14.475 1.00 0.00 H new ATOM 0 HB VAL A 32 13.790 -1.173 -14.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.695 -0.129 -12.995 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.028 -1.742 -13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.185 -1.526 -12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.015 0.408 -13.502 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.583 -0.965 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.102 -0.805 -14.218 1.00 0.00 H new ATOM 515 N GLY A 33 16.627 -3.933 -14.350 1.00 0.00 N ATOM 516 CA GLY A 33 17.776 -4.328 -15.146 1.00 0.00 C ATOM 517 C GLY A 33 18.984 -4.672 -14.280 1.00 0.00 C ATOM 518 O GLY A 33 19.023 -4.344 -13.094 1.00 0.00 O ATOM 0 H GLY A 33 16.667 -4.224 -13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.513 -5.190 -15.759 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.038 -3.520 -15.829 1.00 0.00 H new ATOM 522 N THR A 34 19.965 -5.337 -14.896 1.00 0.00 N ATOM 523 CA THR A 34 21.236 -5.667 -14.262 1.00 0.00 C ATOM 524 C THR A 34 22.352 -5.607 -15.294 1.00 0.00 C ATOM 525 O THR A 34 22.166 -6.017 -16.441 1.00 0.00 O ATOM 526 CB THR A 34 21.170 -7.055 -13.616 1.00 0.00 C ATOM 527 OG1 THR A 34 20.127 -7.104 -12.668 1.00 0.00 O ATOM 528 CG2 THR A 34 22.491 -7.378 -12.917 1.00 0.00 C ATOM 0 H THR A 34 19.894 -5.663 -15.860 1.00 0.00 H new ATOM 0 HA THR A 34 21.442 -4.940 -13.476 1.00 0.00 H new ATOM 0 HB THR A 34 20.984 -7.787 -14.402 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.094 -7.996 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.430 -8.367 -12.463 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.301 -7.363 -13.646 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.685 -6.635 -12.144 1.00 0.00 H new ATOM 536 N VAL A 35 23.516 -5.096 -14.888 1.00 0.00 N ATOM 537 CA VAL A 35 24.664 -4.960 -15.774 1.00 0.00 C ATOM 538 C VAL A 35 25.954 -5.360 -15.059 1.00 0.00 C ATOM 539 O VAL A 35 26.021 -5.330 -13.833 1.00 0.00 O ATOM 540 CB VAL A 35 24.739 -3.539 -16.345 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.393 -3.091 -16.914 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.138 -2.556 -15.250 1.00 0.00 C ATOM 0 H VAL A 35 23.685 -4.767 -13.937 1.00 0.00 H new ATOM 0 HA VAL A 35 24.539 -5.643 -16.614 1.00 0.00 H new ATOM 0 HB VAL A 35 25.481 -3.551 -17.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.484 -2.079 -17.310 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.093 -3.768 -17.714 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.641 -3.106 -16.125 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.189 -1.550 -15.665 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.398 -2.582 -14.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.113 -2.833 -14.850 1.00 0.00 H new ATOM 552 N ASP A 36 26.974 -5.733 -15.830 1.00 0.00 N ATOM 553 CA ASP A 36 28.253 -6.187 -15.292 1.00 0.00 C ATOM 554 C ASP A 36 29.411 -5.241 -15.606 1.00 0.00 C ATOM 555 O ASP A 36 30.553 -5.521 -15.250 1.00 0.00 O ATOM 556 CB ASP A 36 28.550 -7.630 -15.722 1.00 0.00 C ATOM 557 CG ASP A 36 28.327 -7.873 -17.217 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.144 -6.880 -17.958 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.341 -9.061 -17.607 1.00 0.00 O ATOM 0 H ASP A 36 26.935 -5.728 -16.849 1.00 0.00 H new ATOM 0 HA ASP A 36 28.157 -6.174 -14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.583 -7.871 -15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.917 -8.310 -15.152 1.00 0.00 H new ATOM 564 N THR A 37 29.113 -4.121 -16.272 1.00 0.00 N ATOM 565 CA THR A 37 30.085 -3.067 -16.538 1.00 0.00 C ATOM 566 C THR A 37 29.538 -1.693 -16.186 1.00 0.00 C ATOM 567 O THR A 37 28.330 -1.471 -16.249 1.00 0.00 O ATOM 568 CB THR A 37 30.619 -3.118 -17.974 1.00 0.00 C ATOM 569 OG1 THR A 37 29.715 -2.456 -18.834 1.00 0.00 O ATOM 570 CG2 THR A 37 30.826 -4.551 -18.457 1.00 0.00 C ATOM 0 H THR A 37 28.183 -3.923 -16.642 1.00 0.00 H new ATOM 0 HA THR A 37 30.936 -3.252 -15.882 1.00 0.00 H new ATOM 0 HB THR A 37 31.589 -2.621 -17.987 1.00 0.00 H new ATOM 0 HG1 THR A 37 30.056 -2.486 -19.752 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.205 -4.539 -19.479 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.545 -5.053 -17.809 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.876 -5.085 -18.428 1.00 0.00 H new ATOM 578 N VAL A 38 30.421 -0.767 -15.810 1.00 0.00 N ATOM 579 CA VAL A 38 29.986 0.538 -15.344 1.00 0.00 C ATOM 580 C VAL A 38 29.546 1.456 -16.476 1.00 0.00 C ATOM 581 O VAL A 38 28.755 2.370 -16.258 1.00 0.00 O ATOM 582 CB VAL A 38 31.032 1.168 -14.427 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.154 1.855 -15.201 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.336 2.216 -13.568 1.00 0.00 C ATOM 0 H VAL A 38 31.432 -0.900 -15.821 1.00 0.00 H new ATOM 0 HA VAL A 38 29.088 0.387 -14.745 1.00 0.00 H new ATOM 0 HB VAL A 38 31.478 0.372 -13.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.869 2.285 -14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.660 1.125 -15.833 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.735 2.646 -15.823 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.063 2.682 -12.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 29.892 2.977 -14.210 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.554 1.740 -12.976 1.00 0.00 H new ATOM 594 N ALA A 39 30.049 1.224 -17.689 1.00 0.00 N ATOM 595 CA ALA A 39 29.583 1.966 -18.847 1.00 0.00 C ATOM 596 C ALA A 39 28.141 1.566 -19.153 1.00 0.00 C ATOM 597 O ALA A 39 27.376 2.364 -19.688 1.00 0.00 O ATOM 598 CB ALA A 39 30.504 1.676 -20.032 1.00 0.00 C ATOM 0 H ALA A 39 30.773 0.533 -17.888 1.00 0.00 H new ATOM 0 HA ALA A 39 29.606 3.038 -18.649 1.00 0.00 H new ATOM 0 HB1 ALA A 39 30.159 2.230 -20.905 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.521 1.982 -19.786 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.490 0.608 -20.251 1.00 0.00 H new ATOM 604 N GLY A 40 27.772 0.325 -18.811 1.00 0.00 N ATOM 605 CA GLY A 40 26.404 -0.139 -18.948 1.00 0.00 C ATOM 606 C GLY A 40 25.551 0.391 -17.799 1.00 0.00 C ATOM 607 O GLY A 40 24.363 0.646 -17.973 1.00 0.00 O ATOM 0 H GLY A 40 28.414 -0.373 -18.436 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.992 0.195 -19.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.381 -1.229 -18.955 1.00 0.00 H new ATOM 611 N ALA A 41 26.158 0.564 -16.620 1.00 0.00 N ATOM 612 CA ALA A 41 25.448 1.070 -15.456 1.00 0.00 C ATOM 613 C ALA A 41 25.144 2.556 -15.621 1.00 0.00 C ATOM 614 O ALA A 41 24.088 3.025 -15.200 1.00 0.00 O ATOM 615 CB ALA A 41 26.293 0.819 -14.211 1.00 0.00 C ATOM 0 H ALA A 41 27.143 0.358 -16.453 1.00 0.00 H new ATOM 0 HA ALA A 41 24.496 0.549 -15.352 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.768 1.195 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.467 -0.251 -14.099 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.249 1.333 -14.310 1.00 0.00 H new ATOM 621 N LEU A 42 26.071 3.298 -16.238 1.00 0.00 N ATOM 622 CA LEU A 42 25.870 4.704 -16.537 1.00 0.00 C ATOM 623 C LEU A 42 24.810 4.858 -17.622 1.00 0.00 C ATOM 624 O LEU A 42 24.087 5.849 -17.640 1.00 0.00 O ATOM 625 CB LEU A 42 27.196 5.304 -17.016 1.00 0.00 C ATOM 626 CG LEU A 42 28.147 5.572 -15.844 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.547 5.851 -16.384 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.680 6.792 -15.055 1.00 0.00 C ATOM 0 H LEU A 42 26.975 2.934 -16.539 1.00 0.00 H new ATOM 0 HA LEU A 42 25.532 5.225 -15.641 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.671 4.623 -17.723 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.004 6.235 -17.550 1.00 0.00 H new ATOM 0 HG LEU A 42 28.157 4.698 -15.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.226 6.042 -15.553 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.898 4.987 -16.948 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.518 6.723 -17.037 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.363 6.972 -14.225 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.665 7.664 -15.709 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.677 6.612 -14.667 1.00 0.00 H new ATOM 640 N ALA A 43 24.718 3.876 -18.525 1.00 0.00 N ATOM 641 CA ALA A 43 23.759 3.918 -19.614 1.00 0.00 C ATOM 642 C ALA A 43 22.357 3.537 -19.133 1.00 0.00 C ATOM 643 O ALA A 43 21.369 3.947 -19.739 1.00 0.00 O ATOM 644 CB ALA A 43 24.230 2.969 -20.716 1.00 0.00 C ATOM 0 H ALA A 43 25.304 3.041 -18.515 1.00 0.00 H new ATOM 0 HA ALA A 43 23.699 4.935 -20.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.519 2.989 -21.542 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.210 3.284 -21.073 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.297 1.956 -20.320 1.00 0.00 H new ATOM 650 N ARG A 44 22.261 2.757 -18.048 1.00 0.00 N ATOM 651 CA ARG A 44 20.970 2.341 -17.508 1.00 0.00 C ATOM 652 C ARG A 44 20.402 3.362 -16.524 1.00 0.00 C ATOM 653 O ARG A 44 19.191 3.546 -16.484 1.00 0.00 O ATOM 654 CB ARG A 44 21.104 0.964 -16.852 1.00 0.00 C ATOM 655 CG ARG A 44 21.245 -0.154 -17.893 1.00 0.00 C ATOM 656 CD ARG A 44 20.027 -0.242 -18.819 1.00 0.00 C ATOM 657 NE ARG A 44 18.789 -0.473 -18.058 1.00 0.00 N ATOM 658 CZ ARG A 44 17.660 0.217 -18.248 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.600 1.181 -19.159 1.00 0.00 N ATOM 660 NH2 ARG A 44 16.583 -0.058 -17.517 1.00 0.00 N ATOM 0 H ARG A 44 23.066 2.404 -17.530 1.00 0.00 H new ATOM 0 HA ARG A 44 20.263 2.277 -18.336 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.973 0.959 -16.193 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.230 0.772 -16.229 1.00 0.00 H new ATOM 0 HG2 ARG A 44 22.141 0.019 -18.490 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.381 -1.108 -17.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.937 0.681 -19.392 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.171 -1.050 -19.536 1.00 0.00 H new ATOM 0 HE ARG A 44 18.793 -1.202 -17.344 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.421 1.402 -19.723 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.733 1.701 -19.295 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.619 -0.795 -16.812 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.721 0.468 -17.661 1.00 0.00 H new ATOM 674 N VAL A 45 21.257 4.024 -15.739 1.00 0.00 N ATOM 675 CA VAL A 45 20.782 5.052 -14.819 1.00 0.00 C ATOM 676 C VAL A 45 20.448 6.355 -15.544 1.00 0.00 C ATOM 677 O VAL A 45 19.662 7.158 -15.047 1.00 0.00 O ATOM 678 CB VAL A 45 21.774 5.247 -13.670 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.003 6.050 -14.094 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.086 5.992 -12.525 1.00 0.00 C ATOM 0 H VAL A 45 22.265 3.868 -15.724 1.00 0.00 H new ATOM 0 HA VAL A 45 19.845 4.710 -14.379 1.00 0.00 H new ATOM 0 HB VAL A 45 22.103 4.256 -13.357 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.676 6.161 -13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.519 5.527 -14.900 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.692 7.035 -14.441 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.791 6.132 -11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.743 6.964 -12.878 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.233 5.412 -12.174 1.00 0.00 H new ATOM 690 N GLU A 46 21.038 6.567 -16.723 1.00 0.00 N ATOM 691 CA GLU A 46 20.750 7.735 -17.542 1.00 0.00 C ATOM 692 C GLU A 46 19.378 7.597 -18.209 1.00 0.00 C ATOM 693 O GLU A 46 18.788 8.592 -18.627 1.00 0.00 O ATOM 694 CB GLU A 46 21.878 7.899 -18.566 1.00 0.00 C ATOM 695 CG GLU A 46 21.602 9.007 -19.584 1.00 0.00 C ATOM 696 CD GLU A 46 21.467 10.392 -18.944 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.184 11.342 -19.707 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.645 10.491 -17.709 1.00 0.00 O ATOM 0 H GLU A 46 21.725 5.933 -17.131 1.00 0.00 H new ATOM 0 HA GLU A 46 20.706 8.632 -16.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.808 8.118 -18.042 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.023 6.956 -19.093 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.409 9.029 -20.316 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.686 8.773 -20.127 1.00 0.00 H new ATOM 705 N ASP A 47 18.868 6.364 -18.314 1.00 0.00 N ATOM 706 CA ASP A 47 17.550 6.113 -18.882 1.00 0.00 C ATOM 707 C ASP A 47 16.482 6.669 -17.935 1.00 0.00 C ATOM 708 O ASP A 47 15.343 6.896 -18.340 1.00 0.00 O ATOM 709 CB ASP A 47 17.379 4.602 -19.054 1.00 0.00 C ATOM 710 CG ASP A 47 16.117 4.247 -19.836 1.00 0.00 C ATOM 711 OD1 ASP A 47 15.625 5.118 -20.587 1.00 0.00 O ATOM 712 OD2 ASP A 47 15.658 3.096 -19.669 1.00 0.00 O ATOM 0 H ASP A 47 19.357 5.523 -18.009 1.00 0.00 H new ATOM 0 HA ASP A 47 17.447 6.602 -19.851 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.249 4.197 -19.570 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.341 4.129 -18.073 1.00 0.00 H new ATOM 717 N GLY A 48 16.850 6.890 -16.668 1.00 0.00 N ATOM 718 CA GLY A 48 15.946 7.436 -15.667 1.00 0.00 C ATOM 719 C GLY A 48 14.875 6.427 -15.264 1.00 0.00 C ATOM 720 O GLY A 48 14.932 5.256 -15.646 1.00 0.00 O ATOM 0 H GLY A 48 17.786 6.693 -16.314 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.515 7.734 -14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.470 8.335 -16.058 1.00 0.00 H new ATOM 724 N GLY A 49 13.893 6.889 -14.485 1.00 0.00 N ATOM 725 CA GLY A 49 12.791 6.062 -14.011 1.00 0.00 C ATOM 726 C GLY A 49 13.212 5.158 -12.852 1.00 0.00 C ATOM 727 O GLY A 49 12.367 4.489 -12.257 1.00 0.00 O ATOM 0 H GLY A 49 13.844 7.856 -14.165 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.969 6.702 -13.692 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.418 5.449 -14.832 1.00 0.00 H new ATOM 731 N ILE A 50 14.510 5.137 -12.529 1.00 0.00 N ATOM 732 CA ILE A 50 15.040 4.335 -11.432 1.00 0.00 C ATOM 733 C ILE A 50 15.029 5.146 -10.144 1.00 0.00 C ATOM 734 O ILE A 50 15.299 6.346 -10.164 1.00 0.00 O ATOM 735 CB ILE A 50 16.450 3.853 -11.782 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.389 2.886 -12.968 1.00 0.00 C ATOM 737 CG2 ILE A 50 17.085 3.136 -10.588 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.748 2.789 -13.662 1.00 0.00 C ATOM 0 H ILE A 50 15.219 5.678 -13.024 1.00 0.00 H new ATOM 0 HA ILE A 50 14.411 3.458 -11.278 1.00 0.00 H new ATOM 0 HB ILE A 50 17.055 4.722 -12.041 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.081 1.899 -12.622 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.636 3.224 -13.680 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.087 2.801 -10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 50 17.146 3.821 -9.742 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.475 2.275 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.680 2.096 -14.501 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.041 3.773 -14.027 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.493 2.428 -12.953 1.00 0.00 H new ATOM 750 N ASP A 51 14.718 4.490 -9.020 1.00 0.00 N ATOM 751 CA ASP A 51 14.640 5.151 -7.726 1.00 0.00 C ATOM 752 C ASP A 51 15.807 4.821 -6.797 1.00 0.00 C ATOM 753 O ASP A 51 16.040 5.549 -5.834 1.00 0.00 O ATOM 754 CB ASP A 51 13.295 4.834 -7.064 1.00 0.00 C ATOM 755 CG ASP A 51 12.119 5.530 -7.754 1.00 0.00 C ATOM 756 OD1 ASP A 51 12.375 6.354 -8.660 1.00 0.00 O ATOM 757 OD2 ASP A 51 10.972 5.223 -7.361 1.00 0.00 O ATOM 0 H ASP A 51 14.515 3.491 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 51 14.714 6.223 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.133 3.756 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.329 5.138 -6.018 1.00 0.00 H new ATOM 762 N ALA A 52 16.539 3.737 -7.078 1.00 0.00 N ATOM 763 CA ALA A 52 17.734 3.365 -6.328 1.00 0.00 C ATOM 764 C ALA A 52 18.544 2.352 -7.134 1.00 0.00 C ATOM 765 O ALA A 52 18.062 1.832 -8.138 1.00 0.00 O ATOM 766 CB ALA A 52 17.332 2.770 -4.975 1.00 0.00 C ATOM 0 H ALA A 52 16.314 3.093 -7.836 1.00 0.00 H new ATOM 0 HA ALA A 52 18.346 4.250 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.228 2.494 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.765 3.508 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.717 1.885 -5.135 1.00 0.00 H new ATOM 772 N ALA A 53 19.776 2.063 -6.708 1.00 0.00 N ATOM 773 CA ALA A 53 20.611 1.096 -7.414 1.00 0.00 C ATOM 774 C ALA A 53 21.556 0.369 -6.455 1.00 0.00 C ATOM 775 O ALA A 53 21.700 0.764 -5.298 1.00 0.00 O ATOM 776 CB ALA A 53 21.402 1.805 -8.514 1.00 0.00 C ATOM 0 H ALA A 53 20.212 2.481 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 53 19.962 0.345 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 53 22.024 1.081 -9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.711 2.268 -9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.035 2.573 -8.070 1.00 0.00 H new ATOM 782 N ILE A 54 22.197 -0.696 -6.947 1.00 0.00 N ATOM 783 CA ILE A 54 23.165 -1.477 -6.181 1.00 0.00 C ATOM 784 C ILE A 54 24.473 -1.569 -6.970 1.00 0.00 C ATOM 785 O ILE A 54 24.439 -1.670 -8.197 1.00 0.00 O ATOM 786 CB ILE A 54 22.594 -2.868 -5.869 1.00 0.00 C ATOM 787 CG1 ILE A 54 21.159 -2.741 -5.325 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.500 -3.581 -4.859 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.594 -4.098 -4.901 1.00 0.00 C ATOM 0 H ILE A 54 22.055 -1.041 -7.897 1.00 0.00 H new ATOM 0 HA ILE A 54 23.369 -0.987 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 54 22.559 -3.460 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.151 -2.061 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.517 -2.302 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 54 23.093 -4.568 -4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.500 -3.686 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.551 -2.997 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.580 -3.968 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.578 -4.770 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.221 -4.525 -4.118 1.00 0.00 H new ATOM 801 N LEU A 55 25.620 -1.533 -6.283 1.00 0.00 N ATOM 802 CA LEU A 55 26.916 -1.493 -6.948 1.00 0.00 C ATOM 803 C LEU A 55 27.952 -2.367 -6.243 1.00 0.00 C ATOM 804 O LEU A 55 28.223 -2.184 -5.060 1.00 0.00 O ATOM 805 CB LEU A 55 27.395 -0.043 -7.006 1.00 0.00 C ATOM 806 CG LEU A 55 28.745 0.084 -7.718 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.625 -0.343 -9.178 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.199 1.541 -7.670 1.00 0.00 C ATOM 0 H LEU A 55 25.671 -1.531 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 55 26.799 -1.893 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.653 0.564 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.480 0.352 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 55 29.467 -0.560 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.595 -0.246 -9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.296 -1.381 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.898 0.292 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.160 1.640 -8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.461 2.169 -8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.301 1.856 -6.632 1.00 0.00 H new ATOM 820 N ASP A 56 28.537 -3.317 -6.974 1.00 0.00 N ATOM 821 CA ASP A 56 29.629 -4.133 -6.470 1.00 0.00 C ATOM 822 C ASP A 56 30.911 -3.306 -6.543 1.00 0.00 C ATOM 823 O ASP A 56 31.112 -2.550 -7.492 1.00 0.00 O ATOM 824 CB ASP A 56 29.717 -5.405 -7.324 1.00 0.00 C ATOM 825 CG ASP A 56 30.699 -6.449 -6.783 1.00 0.00 C ATOM 826 OD1 ASP A 56 30.696 -7.566 -7.341 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.434 -6.124 -5.826 1.00 0.00 O ATOM 0 H ASP A 56 28.263 -3.538 -7.931 1.00 0.00 H new ATOM 0 HA ASP A 56 29.471 -4.432 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.726 -5.854 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 56 30.014 -5.131 -8.336 1.00 0.00 H new ATOM 832 N VAL A 57 31.786 -3.446 -5.539 1.00 0.00 N ATOM 833 CA VAL A 57 33.022 -2.677 -5.474 1.00 0.00 C ATOM 834 C VAL A 57 33.924 -3.018 -6.657 1.00 0.00 C ATOM 835 O VAL A 57 34.724 -2.183 -7.084 1.00 0.00 O ATOM 836 CB VAL A 57 33.728 -2.976 -4.145 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.046 -2.212 -4.048 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.835 -2.566 -2.975 1.00 0.00 C ATOM 0 H VAL A 57 31.654 -4.090 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 57 32.794 -1.612 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 57 33.929 -4.046 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.529 -2.439 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.700 -2.509 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.851 -1.141 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.344 -2.782 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.623 -1.499 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.900 -3.125 -3.018 1.00 0.00 H new ATOM 848 N ASN A 58 33.793 -4.237 -7.189 1.00 0.00 N ATOM 849 CA ASN A 58 34.561 -4.680 -8.341 1.00 0.00 C ATOM 850 C ASN A 58 33.637 -5.361 -9.347 1.00 0.00 C ATOM 851 O ASN A 58 32.981 -6.350 -9.025 1.00 0.00 O ATOM 852 CB ASN A 58 35.678 -5.631 -7.892 1.00 0.00 C ATOM 853 CG ASN A 58 36.674 -4.947 -6.966 1.00 0.00 C ATOM 854 OD1 ASN A 58 37.106 -3.828 -7.226 1.00 0.00 O ATOM 855 ND2 ASN A 58 37.044 -5.615 -5.877 1.00 0.00 N ATOM 0 H ASN A 58 33.149 -4.940 -6.827 1.00 0.00 H new ATOM 0 HA ASN A 58 35.021 -3.817 -8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.240 -6.489 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.202 -6.014 -8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.708 -5.199 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.663 -6.543 -5.694 1.00 0.00 H new ATOM 862 N LEU A 59 33.594 -4.822 -10.568 1.00 0.00 N ATOM 863 CA LEU A 59 32.779 -5.366 -11.645 1.00 0.00 C ATOM 864 C LEU A 59 33.582 -6.421 -12.406 1.00 0.00 C ATOM 865 O LEU A 59 34.651 -6.837 -11.961 1.00 0.00 O ATOM 866 CB LEU A 59 32.339 -4.221 -12.562 1.00 0.00 C ATOM 867 CG LEU A 59 30.999 -3.626 -12.105 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.979 -3.338 -10.610 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.761 -2.325 -12.859 1.00 0.00 C ATOM 0 H LEU A 59 34.127 -3.994 -10.833 1.00 0.00 H new ATOM 0 HA LEU A 59 31.887 -5.848 -11.246 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.102 -3.443 -12.568 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.248 -4.586 -13.585 1.00 0.00 H new ATOM 0 HG LEU A 59 30.217 -4.356 -12.315 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.012 -2.918 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.144 -4.264 -10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.767 -2.625 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.812 -1.891 -12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.569 -1.626 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.731 -2.525 -13.930 1.00 0.00 H new ATOM 881 N ARG A 60 33.064 -6.854 -13.555 1.00 0.00 N ATOM 882 CA ARG A 60 33.697 -7.879 -14.370 1.00 0.00 C ATOM 883 C ARG A 60 35.124 -7.465 -14.716 1.00 0.00 C ATOM 884 O ARG A 60 35.385 -6.299 -15.005 1.00 0.00 O ATOM 885 CB ARG A 60 32.850 -8.096 -15.624 1.00 0.00 C ATOM 886 CG ARG A 60 33.286 -9.361 -16.360 1.00 0.00 C ATOM 887 CD ARG A 60 32.230 -9.725 -17.405 1.00 0.00 C ATOM 888 NE ARG A 60 32.597 -10.948 -18.128 1.00 0.00 N ATOM 889 CZ ARG A 60 32.319 -12.184 -17.698 1.00 0.00 C ATOM 890 NH1 ARG A 60 31.685 -12.385 -16.545 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.678 -13.234 -18.433 1.00 0.00 N ATOM 0 H ARG A 60 32.190 -6.500 -13.944 1.00 0.00 H new ATOM 0 HA ARG A 60 33.758 -8.819 -13.821 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.798 -8.174 -15.349 1.00 0.00 H new ATOM 0 HB3 ARG A 60 32.944 -7.235 -16.285 1.00 0.00 H new ATOM 0 HG2 ARG A 60 34.251 -9.202 -16.841 1.00 0.00 H new ATOM 0 HG3 ARG A 60 33.414 -10.181 -15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.265 -9.864 -16.917 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.115 -8.903 -18.111 1.00 0.00 H new ATOM 0 HE ARG A 60 33.095 -10.850 -19.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.402 -11.589 -15.973 1.00 0.00 H new ATOM 0 HH12 ARG A 60 31.482 -13.335 -16.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.163 -13.094 -19.320 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.468 -14.178 -18.110 1.00 0.00 H new ATOM 905 N GLY A 61 36.049 -8.427 -14.688 1.00 0.00 N ATOM 906 CA GLY A 61 37.468 -8.156 -14.875 1.00 0.00 C ATOM 907 C GLY A 61 38.116 -7.682 -13.572 1.00 0.00 C ATOM 908 O GLY A 61 39.321 -7.446 -13.534 1.00 0.00 O ATOM 0 H GLY A 61 35.832 -9.412 -14.535 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.970 -9.057 -15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.598 -7.397 -15.646 1.00 0.00 H new ATOM 912 N GLY A 62 37.322 -7.545 -12.501 1.00 0.00 N ATOM 913 CA GLY A 62 37.816 -7.159 -11.188 1.00 0.00 C ATOM 914 C GLY A 62 38.106 -5.659 -11.095 1.00 0.00 C ATOM 915 O GLY A 62 38.653 -5.204 -10.094 1.00 0.00 O ATOM 0 H GLY A 62 36.315 -7.702 -12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.081 -7.432 -10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.725 -7.717 -10.966 1.00 0.00 H new ATOM 919 N GLU A 63 37.748 -4.893 -12.129 1.00 0.00 N ATOM 920 CA GLU A 63 38.034 -3.466 -12.164 1.00 0.00 C ATOM 921 C GLU A 63 37.106 -2.696 -11.218 1.00 0.00 C ATOM 922 O GLU A 63 35.928 -3.023 -11.084 1.00 0.00 O ATOM 923 CB GLU A 63 37.926 -2.953 -13.603 1.00 0.00 C ATOM 924 CG GLU A 63 38.238 -1.456 -13.663 1.00 0.00 C ATOM 925 CD GLU A 63 38.309 -0.940 -15.100 1.00 0.00 C ATOM 926 OE1 GLU A 63 38.163 -1.765 -16.028 1.00 0.00 O ATOM 927 OE2 GLU A 63 38.512 0.284 -15.256 1.00 0.00 O ATOM 0 H GLU A 63 37.259 -5.243 -12.952 1.00 0.00 H new ATOM 0 HA GLU A 63 39.053 -3.299 -11.816 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.617 -3.501 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 63 36.922 -3.137 -13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.472 -0.904 -13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.187 -1.264 -13.162 1.00 0.00 H new ATOM 934 N LYS A 64 37.655 -1.665 -10.565 1.00 0.00 N ATOM 935 CA LYS A 64 36.929 -0.816 -9.630 1.00 0.00 C ATOM 936 C LYS A 64 36.013 0.155 -10.373 1.00 0.00 C ATOM 937 O LYS A 64 36.301 0.540 -11.504 1.00 0.00 O ATOM 938 CB LYS A 64 37.952 -0.067 -8.768 1.00 0.00 C ATOM 939 CG LYS A 64 37.277 0.901 -7.796 1.00 0.00 C ATOM 940 CD LYS A 64 38.349 1.578 -6.949 1.00 0.00 C ATOM 941 CE LYS A 64 37.699 2.610 -6.023 1.00 0.00 C ATOM 942 NZ LYS A 64 38.713 3.310 -5.210 1.00 0.00 N ATOM 0 H LYS A 64 38.633 -1.398 -10.678 1.00 0.00 H new ATOM 0 HA LYS A 64 36.290 -1.427 -8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.551 -0.785 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.636 0.484 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.703 1.648 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.575 0.365 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.885 0.834 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.082 2.064 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 64 37.141 3.334 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 64 36.982 2.115 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 38.245 4.003 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.228 2.619 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 39.382 3.801 -5.837 1.00 0.00 H new ATOM 956 N SER A 65 34.911 0.558 -9.736 1.00 0.00 N ATOM 957 CA SER A 65 33.978 1.509 -10.323 1.00 0.00 C ATOM 958 C SER A 65 33.205 2.245 -9.234 1.00 0.00 C ATOM 959 O SER A 65 32.714 1.626 -8.293 1.00 0.00 O ATOM 960 CB SER A 65 33.012 0.766 -11.243 1.00 0.00 C ATOM 961 OG SER A 65 32.291 -0.202 -10.505 1.00 0.00 O ATOM 0 H SER A 65 34.646 0.234 -8.806 1.00 0.00 H new ATOM 0 HA SER A 65 34.537 2.246 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.322 1.471 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 65 33.563 0.284 -12.050 1.00 0.00 H new ATOM 0 HG SER A 65 32.265 0.059 -9.561 1.00 0.00 H new ATOM 967 N THR A 66 33.097 3.572 -9.367 1.00 0.00 N ATOM 968 CA THR A 66 32.249 4.399 -8.511 1.00 0.00 C ATOM 969 C THR A 66 31.459 5.521 -9.214 1.00 0.00 C ATOM 970 O THR A 66 30.808 6.299 -8.518 1.00 0.00 O ATOM 971 CB THR A 66 33.043 4.978 -7.332 1.00 0.00 C ATOM 972 OG1 THR A 66 33.673 6.176 -7.737 1.00 0.00 O ATOM 973 CG2 THR A 66 34.109 4.027 -6.797 1.00 0.00 C ATOM 0 H THR A 66 33.601 4.103 -10.078 1.00 0.00 H new ATOM 0 HA THR A 66 31.491 3.701 -8.157 1.00 0.00 H new ATOM 0 HB THR A 66 32.327 5.152 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.180 6.549 -6.986 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.633 4.498 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.636 3.107 -6.454 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.821 3.795 -7.589 1.00 0.00 H new ATOM 981 N PRO A 67 31.480 5.650 -10.555 1.00 0.00 N ATOM 982 CA PRO A 67 30.906 6.804 -11.223 1.00 0.00 C ATOM 983 C PRO A 67 29.386 6.826 -11.065 1.00 0.00 C ATOM 984 O PRO A 67 28.778 7.893 -11.124 1.00 0.00 O ATOM 985 CB PRO A 67 31.308 6.669 -12.694 1.00 0.00 C ATOM 986 CG PRO A 67 31.493 5.171 -12.872 1.00 0.00 C ATOM 987 CD PRO A 67 32.036 4.726 -11.522 1.00 0.00 C ATOM 0 HA PRO A 67 31.268 7.739 -10.795 1.00 0.00 H new ATOM 0 HB2 PRO A 67 30.538 7.061 -13.359 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.225 7.216 -12.912 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.553 4.675 -13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.188 4.944 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.741 3.701 -11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.126 4.754 -11.509 1.00 0.00 H new ATOM 995 N VAL A 68 28.768 5.656 -10.867 1.00 0.00 N ATOM 996 CA VAL A 68 27.324 5.579 -10.694 1.00 0.00 C ATOM 997 C VAL A 68 26.931 5.807 -9.243 1.00 0.00 C ATOM 998 O VAL A 68 25.832 6.286 -8.978 1.00 0.00 O ATOM 999 CB VAL A 68 26.791 4.234 -11.195 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.184 4.029 -12.654 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.308 3.076 -10.356 1.00 0.00 C ATOM 0 H VAL A 68 29.248 4.757 -10.824 1.00 0.00 H new ATOM 0 HA VAL A 68 26.872 6.372 -11.290 1.00 0.00 H new ATOM 0 HB VAL A 68 25.705 4.254 -11.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.801 3.070 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 26.762 4.830 -13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.270 4.040 -12.743 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.907 2.139 -10.743 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.397 3.051 -10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.991 3.206 -9.321 1.00 0.00 H new ATOM 1011 N ALA A 69 27.803 5.478 -8.293 1.00 0.00 N ATOM 1012 CA ALA A 69 27.491 5.717 -6.895 1.00 0.00 C ATOM 1013 C ALA A 69 27.602 7.210 -6.599 1.00 0.00 C ATOM 1014 O ALA A 69 26.899 7.730 -5.734 1.00 0.00 O ATOM 1015 CB ALA A 69 28.444 4.909 -6.030 1.00 0.00 C ATOM 0 H ALA A 69 28.714 5.053 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 69 26.471 5.403 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.217 5.083 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.330 3.849 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.470 5.215 -6.235 1.00 0.00 H new ATOM 1021 N GLU A 70 28.487 7.901 -7.322 1.00 0.00 N ATOM 1022 CA GLU A 70 28.609 9.347 -7.227 1.00 0.00 C ATOM 1023 C GLU A 70 27.461 10.016 -7.986 1.00 0.00 C ATOM 1024 O GLU A 70 27.034 11.112 -7.621 1.00 0.00 O ATOM 1025 CB GLU A 70 29.954 9.778 -7.808 1.00 0.00 C ATOM 1026 CG GLU A 70 31.121 9.284 -6.941 1.00 0.00 C ATOM 1027 CD GLU A 70 31.205 10.017 -5.601 1.00 0.00 C ATOM 1028 OE1 GLU A 70 30.415 10.965 -5.390 1.00 0.00 O ATOM 1029 OE2 GLU A 70 32.065 9.618 -4.788 1.00 0.00 O ATOM 0 H GLU A 70 29.133 7.471 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 70 28.557 9.652 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.058 9.385 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.989 10.865 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.008 8.215 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.056 9.419 -7.485 1.00 0.00 H new ATOM 1036 N ALA A 71 26.960 9.360 -9.036 1.00 0.00 N ATOM 1037 CA ALA A 71 25.835 9.873 -9.803 1.00 0.00 C ATOM 1038 C ALA A 71 24.528 9.674 -9.036 1.00 0.00 C ATOM 1039 O ALA A 71 23.615 10.485 -9.157 1.00 0.00 O ATOM 1040 CB ALA A 71 25.775 9.166 -11.156 1.00 0.00 C ATOM 0 H ALA A 71 27.322 8.468 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 71 25.972 10.942 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.932 9.550 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.700 9.348 -11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.650 8.094 -11.001 1.00 0.00 H new ATOM 1046 N LEU A 72 24.430 8.602 -8.245 1.00 0.00 N ATOM 1047 CA LEU A 72 23.250 8.355 -7.431 1.00 0.00 C ATOM 1048 C LEU A 72 23.177 9.406 -6.324 1.00 0.00 C ATOM 1049 O LEU A 72 22.086 9.809 -5.923 1.00 0.00 O ATOM 1050 CB LEU A 72 23.327 6.940 -6.836 1.00 0.00 C ATOM 1051 CG LEU A 72 22.841 5.820 -7.775 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.464 5.332 -7.326 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.735 6.227 -9.245 1.00 0.00 C ATOM 0 H LEU A 72 25.158 7.894 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 72 22.350 8.425 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.359 6.735 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.734 6.912 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 72 23.599 5.040 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 72 21.124 4.540 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 72 21.528 4.947 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.757 6.161 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.386 5.378 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 72 22.029 7.052 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.714 6.541 -9.607 1.00 0.00 H new ATOM 1065 N ALA A 73 24.336 9.853 -5.831 1.00 0.00 N ATOM 1066 CA ALA A 73 24.389 10.895 -4.817 1.00 0.00 C ATOM 1067 C ALA A 73 24.060 12.261 -5.425 1.00 0.00 C ATOM 1068 O ALA A 73 23.556 13.142 -4.728 1.00 0.00 O ATOM 1069 CB ALA A 73 25.780 10.910 -4.190 1.00 0.00 C ATOM 0 H ALA A 73 25.249 9.504 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 73 23.646 10.686 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.828 11.689 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.983 9.942 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.524 11.110 -4.961 1.00 0.00 H new ATOM 1075 N ALA A 74 24.339 12.441 -6.720 1.00 0.00 N ATOM 1076 CA ALA A 74 24.035 13.686 -7.412 1.00 0.00 C ATOM 1077 C ALA A 74 22.563 13.723 -7.835 1.00 0.00 C ATOM 1078 O ALA A 74 21.956 14.793 -7.878 1.00 0.00 O ATOM 1079 CB ALA A 74 24.940 13.798 -8.634 1.00 0.00 C ATOM 0 H ALA A 74 24.777 11.732 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 74 24.211 14.528 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.724 14.726 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.983 13.796 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.761 12.952 -9.298 1.00 0.00 H new ATOM 1085 N ARG A 75 21.997 12.552 -8.149 1.00 0.00 N ATOM 1086 CA ARG A 75 20.605 12.410 -8.557 1.00 0.00 C ATOM 1087 C ARG A 75 19.681 12.291 -7.348 1.00 0.00 C ATOM 1088 O ARG A 75 18.475 12.119 -7.508 1.00 0.00 O ATOM 1089 CB ARG A 75 20.479 11.188 -9.470 1.00 0.00 C ATOM 1090 CG ARG A 75 21.201 11.443 -10.796 1.00 0.00 C ATOM 1091 CD ARG A 75 21.334 10.133 -11.577 1.00 0.00 C ATOM 1092 NE ARG A 75 22.135 10.326 -12.793 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.639 10.340 -14.034 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.333 10.189 -14.249 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.456 10.507 -15.069 1.00 0.00 N ATOM 0 H ARG A 75 22.505 11.668 -8.125 1.00 0.00 H new ATOM 0 HA ARG A 75 20.299 13.303 -9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.903 10.312 -8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.427 10.971 -9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.648 12.174 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.188 11.866 -10.607 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.799 9.375 -10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.344 9.762 -11.844 1.00 0.00 H new ATOM 0 HE ARG A 75 23.140 10.459 -12.683 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.698 10.061 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.968 10.202 -15.201 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.457 10.624 -14.915 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.082 10.518 -16.018 1.00 0.00 H new ATOM 1109 N ASP A 76 20.251 12.385 -6.143 1.00 0.00 N ATOM 1110 CA ASP A 76 19.512 12.306 -4.895 1.00 0.00 C ATOM 1111 C ASP A 76 18.674 11.020 -4.819 1.00 0.00 C ATOM 1112 O ASP A 76 17.497 11.054 -4.469 1.00 0.00 O ATOM 1113 CB ASP A 76 18.678 13.580 -4.704 1.00 0.00 C ATOM 1114 CG ASP A 76 17.909 13.584 -3.384 1.00 0.00 C ATOM 1115 OD1 ASP A 76 16.885 14.303 -3.324 1.00 0.00 O ATOM 1116 OD2 ASP A 76 18.346 12.876 -2.449 1.00 0.00 O ATOM 0 H ASP A 76 21.254 12.520 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 76 20.215 12.248 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.335 14.449 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.974 13.677 -5.531 1.00 0.00 H new ATOM 1121 N ILE A 77 19.292 9.881 -5.150 1.00 0.00 N ATOM 1122 CA ILE A 77 18.651 8.575 -5.049 1.00 0.00 C ATOM 1123 C ILE A 77 19.524 7.626 -4.223 1.00 0.00 C ATOM 1124 O ILE A 77 20.747 7.662 -4.348 1.00 0.00 O ATOM 1125 CB ILE A 77 18.360 7.991 -6.445 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.356 8.499 -7.498 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.949 8.405 -6.858 1.00 0.00 C ATOM 1128 CD1 ILE A 77 19.113 7.835 -8.855 1.00 0.00 C ATOM 0 H ILE A 77 20.251 9.844 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 77 17.694 8.695 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 77 18.456 6.907 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.264 9.581 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.374 8.295 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.725 8.000 -7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.230 8.018 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.883 9.493 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.833 8.215 -9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.230 6.756 -8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.102 8.061 -9.195 1.00 0.00 H new ATOM 1140 N PRO A 78 18.920 6.773 -3.381 1.00 0.00 N ATOM 1141 CA PRO A 78 19.650 5.876 -2.498 1.00 0.00 C ATOM 1142 C PRO A 78 20.448 4.840 -3.281 1.00 0.00 C ATOM 1143 O PRO A 78 20.114 4.509 -4.417 1.00 0.00 O ATOM 1144 CB PRO A 78 18.593 5.193 -1.625 1.00 0.00 C ATOM 1145 CG PRO A 78 17.339 6.052 -1.778 1.00 0.00 C ATOM 1146 CD PRO A 78 17.495 6.641 -3.174 1.00 0.00 C ATOM 0 HA PRO A 78 20.375 6.429 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.412 4.169 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.913 5.143 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.430 5.458 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.287 6.829 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.048 5.991 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.996 7.607 -3.250 1.00 0.00 H new ATOM 1154 N PHE A 79 21.512 4.323 -2.667 1.00 0.00 N ATOM 1155 CA PHE A 79 22.364 3.323 -3.287 1.00 0.00 C ATOM 1156 C PHE A 79 22.895 2.303 -2.277 1.00 0.00 C ATOM 1157 O PHE A 79 23.209 2.657 -1.140 1.00 0.00 O ATOM 1158 CB PHE A 79 23.505 4.006 -4.048 1.00 0.00 C ATOM 1159 CG PHE A 79 24.276 5.019 -3.228 1.00 0.00 C ATOM 1160 CD1 PHE A 79 25.399 4.614 -2.492 1.00 0.00 C ATOM 1161 CD2 PHE A 79 23.865 6.358 -3.199 1.00 0.00 C ATOM 1162 CE1 PHE A 79 26.111 5.551 -1.725 1.00 0.00 C ATOM 1163 CE2 PHE A 79 24.572 7.293 -2.428 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.696 6.891 -1.694 1.00 0.00 C ATOM 0 H PHE A 79 21.803 4.589 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 79 21.757 2.761 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 79 24.196 3.243 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 79 23.095 4.503 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 79 25.716 3.582 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 79 23.004 6.671 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 79 26.977 5.240 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 79 24.250 8.323 -2.400 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.243 7.612 -1.105 1.00 0.00 H new ATOM 1174 N VAL A 80 22.996 1.037 -2.691 1.00 0.00 N ATOM 1175 CA VAL A 80 23.584 -0.013 -1.869 1.00 0.00 C ATOM 1176 C VAL A 80 24.871 -0.493 -2.523 1.00 0.00 C ATOM 1177 O VAL A 80 25.018 -0.409 -3.739 1.00 0.00 O ATOM 1178 CB VAL A 80 22.606 -1.189 -1.715 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.218 -2.301 -0.860 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.321 -0.760 -1.026 1.00 0.00 C ATOM 0 H VAL A 80 22.672 0.716 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 80 23.799 0.386 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 80 22.395 -1.544 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.506 -3.121 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.130 -2.664 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.454 -1.911 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.654 -1.617 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.552 -0.372 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.834 0.017 -1.615 1.00 0.00 H new ATOM 1190 N PHE A 81 25.805 -1.001 -1.720 1.00 0.00 N ATOM 1191 CA PHE A 81 26.981 -1.671 -2.243 1.00 0.00 C ATOM 1192 C PHE A 81 26.942 -3.183 -2.092 1.00 0.00 C ATOM 1193 O PHE A 81 26.265 -3.700 -1.204 1.00 0.00 O ATOM 1194 CB PHE A 81 28.266 -1.050 -1.699 1.00 0.00 C ATOM 1195 CG PHE A 81 28.683 0.203 -2.437 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.094 1.436 -2.119 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.653 0.137 -3.445 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.489 2.598 -2.798 1.00 0.00 C ATOM 1199 CE2 PHE A 81 30.057 1.298 -4.115 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.477 2.530 -3.787 1.00 0.00 C ATOM 0 H PHE A 81 25.764 -0.958 -0.702 1.00 0.00 H new ATOM 0 HA PHE A 81 26.974 -1.504 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.129 -0.813 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 81 29.070 -1.784 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.336 1.490 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 81 30.092 -0.815 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.030 3.546 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.814 1.244 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.792 3.428 -4.298 1.00 0.00 H new ATOM 1210 N ALA A 82 27.670 -3.892 -2.955 1.00 0.00 N ATOM 1211 CA ALA A 82 27.816 -5.331 -2.847 1.00 0.00 C ATOM 1212 C ALA A 82 29.286 -5.665 -2.616 1.00 0.00 C ATOM 1213 O ALA A 82 30.164 -5.036 -3.205 1.00 0.00 O ATOM 1214 CB ALA A 82 27.270 -6.010 -4.103 1.00 0.00 C ATOM 0 H ALA A 82 28.170 -3.481 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 82 27.241 -5.705 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.384 -7.090 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.214 -5.765 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.822 -5.659 -4.975 1.00 0.00 H new ATOM 1220 N THR A 83 29.550 -6.650 -1.761 1.00 0.00 N ATOM 1221 CA THR A 83 30.910 -7.027 -1.396 1.00 0.00 C ATOM 1222 C THR A 83 30.996 -8.548 -1.267 1.00 0.00 C ATOM 1223 O THR A 83 29.997 -9.250 -1.416 1.00 0.00 O ATOM 1224 CB THR A 83 31.293 -6.352 -0.081 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.368 -6.685 0.926 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.327 -4.832 -0.239 1.00 0.00 C ATOM 0 H THR A 83 28.828 -7.207 -1.304 1.00 0.00 H new ATOM 0 HA THR A 83 31.606 -6.700 -2.169 1.00 0.00 H new ATOM 0 HB THR A 83 32.286 -6.706 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.625 -6.247 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.602 -4.374 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.061 -4.561 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.343 -4.476 -0.542 1.00 0.00 H new ATOM 1234 N GLY A 84 32.198 -9.057 -0.990 1.00 0.00 N ATOM 1235 CA GLY A 84 32.437 -10.486 -0.868 1.00 0.00 C ATOM 1236 C GLY A 84 33.591 -10.755 0.089 1.00 0.00 C ATOM 1237 O GLY A 84 33.899 -9.924 0.942 1.00 0.00 O ATOM 0 H GLY A 84 33.030 -8.485 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.535 -10.982 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.663 -10.908 -1.847 1.00 0.00 H new ATOM 1241 N GLY A 85 34.231 -11.920 -0.053 1.00 0.00 N ATOM 1242 CA GLY A 85 35.328 -12.323 0.820 1.00 0.00 C ATOM 1243 C GLY A 85 36.603 -11.520 0.551 1.00 0.00 C ATOM 1244 O GLY A 85 37.546 -11.592 1.337 1.00 0.00 O ATOM 0 H GLY A 85 34.002 -12.604 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.030 -12.191 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.532 -13.384 0.679 1.00 0.00 H new ATOM 1248 N SER A 86 36.633 -10.757 -0.547 1.00 0.00 N ATOM 1249 CA SER A 86 37.778 -9.918 -0.891 1.00 0.00 C ATOM 1250 C SER A 86 37.330 -8.607 -1.536 1.00 0.00 C ATOM 1251 O SER A 86 38.124 -7.674 -1.655 1.00 0.00 O ATOM 1252 CB SER A 86 38.703 -10.681 -1.845 1.00 0.00 C ATOM 1253 OG SER A 86 39.218 -11.834 -1.210 1.00 0.00 O ATOM 0 H SER A 86 35.866 -10.706 -1.217 1.00 0.00 H new ATOM 0 HA SER A 86 38.315 -9.675 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.155 -10.966 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.522 -10.036 -2.162 1.00 0.00 H new ATOM 0 HG SER A 86 39.806 -12.314 -1.830 1.00 0.00 H new ATOM 1259 N ASP A 87 36.061 -8.531 -1.952 1.00 0.00 N ATOM 1260 CA ASP A 87 35.494 -7.322 -2.540 1.00 0.00 C ATOM 1261 C ASP A 87 34.975 -6.343 -1.485 1.00 0.00 C ATOM 1262 O ASP A 87 34.376 -5.325 -1.825 1.00 0.00 O ATOM 1263 CB ASP A 87 34.419 -7.692 -3.564 1.00 0.00 C ATOM 1264 CG ASP A 87 35.017 -8.367 -4.801 1.00 0.00 C ATOM 1265 OD1 ASP A 87 36.238 -8.207 -5.023 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.236 -9.037 -5.510 1.00 0.00 O ATOM 0 H ASP A 87 35.402 -9.307 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 87 36.294 -6.794 -3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.692 -8.360 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 87 33.880 -6.794 -3.865 1.00 0.00 H new ATOM 1271 N ASP A 88 35.203 -6.647 -0.204 1.00 0.00 N ATOM 1272 CA ASP A 88 34.756 -5.808 0.902 1.00 0.00 C ATOM 1273 C ASP A 88 35.660 -4.593 1.116 1.00 0.00 C ATOM 1274 O ASP A 88 35.566 -3.914 2.137 1.00 0.00 O ATOM 1275 CB ASP A 88 34.599 -6.637 2.186 1.00 0.00 C ATOM 1276 CG ASP A 88 35.854 -7.431 2.552 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.764 -8.202 3.536 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.885 -7.265 1.863 1.00 0.00 O ATOM 0 H ASP A 88 35.704 -7.485 0.092 1.00 0.00 H new ATOM 0 HA ASP A 88 33.776 -5.413 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.345 -5.971 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.764 -7.327 2.065 1.00 0.00 H new ATOM 1283 N SER A 89 36.541 -4.316 0.150 1.00 0.00 N ATOM 1284 CA SER A 89 37.446 -3.173 0.184 1.00 0.00 C ATOM 1285 C SER A 89 36.726 -1.884 -0.220 1.00 0.00 C ATOM 1286 O SER A 89 37.332 -0.998 -0.828 1.00 0.00 O ATOM 1287 CB SER A 89 38.639 -3.448 -0.735 1.00 0.00 C ATOM 1288 OG SER A 89 38.200 -3.586 -2.071 1.00 0.00 O ATOM 0 H SER A 89 36.644 -4.890 -0.687 1.00 0.00 H new ATOM 0 HA SER A 89 37.804 -3.034 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.359 -2.633 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.152 -4.356 -0.417 1.00 0.00 H new ATOM 0 HG SER A 89 38.970 -3.760 -2.652 1.00 0.00 H new ATOM 1294 N VAL A 90 35.438 -1.772 0.111 1.00 0.00 N ATOM 1295 CA VAL A 90 34.638 -0.598 -0.214 1.00 0.00 C ATOM 1296 C VAL A 90 35.258 0.648 0.410 1.00 0.00 C ATOM 1297 O VAL A 90 35.799 0.598 1.517 1.00 0.00 O ATOM 1298 CB VAL A 90 33.188 -0.813 0.246 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.114 -1.051 1.755 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.323 0.396 -0.111 1.00 0.00 C ATOM 0 H VAL A 90 34.923 -2.496 0.613 1.00 0.00 H new ATOM 0 HA VAL A 90 34.625 -0.449 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 90 32.812 -1.696 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.075 -1.200 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.694 -1.937 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.520 -0.186 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.300 0.223 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.720 1.285 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.332 0.543 -1.191 1.00 0.00 H new ATOM 1310 N ASP A 91 35.182 1.770 -0.307 1.00 0.00 N ATOM 1311 CA ASP A 91 35.828 3.012 0.092 1.00 0.00 C ATOM 1312 C ASP A 91 35.016 3.654 1.219 1.00 0.00 C ATOM 1313 O ASP A 91 33.801 3.478 1.292 1.00 0.00 O ATOM 1314 CB ASP A 91 35.880 3.938 -1.127 1.00 0.00 C ATOM 1315 CG ASP A 91 36.838 5.113 -0.918 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.551 5.112 0.112 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.846 6.004 -1.793 1.00 0.00 O ATOM 0 H ASP A 91 34.667 1.839 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 91 36.841 2.828 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.192 3.368 -2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.880 4.319 -1.335 1.00 0.00 H new ATOM 1322 N SER A 92 35.688 4.408 2.097 1.00 0.00 N ATOM 1323 CA SER A 92 35.036 5.100 3.204 1.00 0.00 C ATOM 1324 C SER A 92 34.075 6.168 2.677 1.00 0.00 C ATOM 1325 O SER A 92 33.258 6.697 3.430 1.00 0.00 O ATOM 1326 CB SER A 92 36.098 5.730 4.109 1.00 0.00 C ATOM 1327 OG SER A 92 36.806 6.727 3.402 1.00 0.00 O ATOM 0 H SER A 92 36.697 4.552 2.056 1.00 0.00 H new ATOM 0 HA SER A 92 34.456 4.381 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 92 35.626 6.164 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 92 36.788 4.964 4.462 1.00 0.00 H new ATOM 0 HG SER A 92 37.482 7.126 3.988 1.00 0.00 H new ATOM 1333 N ARG A 93 34.177 6.475 1.381 1.00 0.00 N ATOM 1334 CA ARG A 93 33.283 7.393 0.693 1.00 0.00 C ATOM 1335 C ARG A 93 31.855 6.840 0.649 1.00 0.00 C ATOM 1336 O ARG A 93 30.914 7.580 0.370 1.00 0.00 O ATOM 1337 CB ARG A 93 33.856 7.609 -0.720 1.00 0.00 C ATOM 1338 CG ARG A 93 32.916 8.359 -1.666 1.00 0.00 C ATOM 1339 CD ARG A 93 32.612 9.769 -1.173 1.00 0.00 C ATOM 1340 NE ARG A 93 31.767 10.475 -2.141 1.00 0.00 N ATOM 1341 CZ ARG A 93 30.819 11.357 -1.816 1.00 0.00 C ATOM 1342 NH1 ARG A 93 30.600 11.686 -0.545 1.00 0.00 N ATOM 1343 NH2 ARG A 93 30.087 11.916 -2.771 1.00 0.00 N ATOM 0 H ARG A 93 34.898 6.083 0.775 1.00 0.00 H new ATOM 0 HA ARG A 93 33.222 8.344 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.792 8.162 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.095 6.639 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 93 33.366 8.411 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 93 31.984 7.802 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.110 9.723 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.542 10.318 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 93 31.914 10.279 -3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 93 31.160 11.263 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 93 29.872 12.361 -0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.250 11.671 -3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 93 29.361 12.591 -2.528 1.00 0.00 H new ATOM 1357 N PHE A 94 31.688 5.537 0.919 1.00 0.00 N ATOM 1358 CA PHE A 94 30.396 4.885 0.787 1.00 0.00 C ATOM 1359 C PHE A 94 30.067 4.022 2.006 1.00 0.00 C ATOM 1360 O PHE A 94 29.037 3.350 2.017 1.00 0.00 O ATOM 1361 CB PHE A 94 30.405 4.025 -0.478 1.00 0.00 C ATOM 1362 CG PHE A 94 30.791 4.786 -1.725 1.00 0.00 C ATOM 1363 CD1 PHE A 94 29.906 5.724 -2.278 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.039 4.562 -2.326 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.266 6.435 -3.433 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.396 5.270 -3.482 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.511 6.206 -4.034 1.00 0.00 C ATOM 0 H PHE A 94 32.439 4.921 1.230 1.00 0.00 H new ATOM 0 HA PHE A 94 29.626 5.653 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.099 3.196 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.415 3.591 -0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 94 28.947 5.899 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.724 3.845 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.585 7.157 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.354 5.094 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.789 6.752 -4.924 1.00 0.00 H new ATOM 1377 N ARG A 95 30.929 4.023 3.034 1.00 0.00 N ATOM 1378 CA ARG A 95 30.684 3.232 4.236 1.00 0.00 C ATOM 1379 C ARG A 95 29.530 3.804 5.067 1.00 0.00 C ATOM 1380 O ARG A 95 29.093 3.177 6.033 1.00 0.00 O ATOM 1381 CB ARG A 95 31.960 3.129 5.072 1.00 0.00 C ATOM 1382 CG ARG A 95 32.945 2.169 4.404 1.00 0.00 C ATOM 1383 CD ARG A 95 34.200 2.012 5.264 1.00 0.00 C ATOM 1384 NE ARG A 95 33.900 1.347 6.537 1.00 0.00 N ATOM 1385 CZ ARG A 95 33.990 0.025 6.729 1.00 0.00 C ATOM 1386 NH1 ARG A 95 34.372 -0.780 5.742 1.00 0.00 N ATOM 1387 NH2 ARG A 95 33.696 -0.489 7.919 1.00 0.00 N ATOM 0 H ARG A 95 31.795 4.561 3.052 1.00 0.00 H new ATOM 0 HA ARG A 95 30.389 2.231 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.415 4.114 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 95 31.720 2.777 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 95 32.473 1.198 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.217 2.544 3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 95 34.947 1.435 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.634 2.993 5.458 1.00 0.00 H new ATOM 0 HE ARG A 95 33.605 1.927 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 95 34.600 -0.392 4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.437 -1.786 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 95 33.403 0.123 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 95 33.763 -1.495 8.070 1.00 0.00 H new ATOM 1401 N ASP A 96 29.036 4.986 4.691 1.00 0.00 N ATOM 1402 CA ASP A 96 27.868 5.577 5.329 1.00 0.00 C ATOM 1403 C ASP A 96 26.562 4.988 4.795 1.00 0.00 C ATOM 1404 O ASP A 96 25.497 5.213 5.371 1.00 0.00 O ATOM 1405 CB ASP A 96 27.892 7.107 5.188 1.00 0.00 C ATOM 1406 CG ASP A 96 28.146 7.581 3.753 1.00 0.00 C ATOM 1407 OD1 ASP A 96 28.359 8.804 3.596 1.00 0.00 O ATOM 1408 OD2 ASP A 96 28.125 6.733 2.834 1.00 0.00 O ATOM 0 H ASP A 96 29.434 5.553 3.942 1.00 0.00 H new ATOM 0 HA ASP A 96 27.912 5.330 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 96 26.941 7.511 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 96 28.666 7.513 5.839 1.00 0.00 H new ATOM 1413 N ARG A 97 26.643 4.233 3.693 1.00 0.00 N ATOM 1414 CA ARG A 97 25.514 3.528 3.105 1.00 0.00 C ATOM 1415 C ARG A 97 25.599 2.039 3.465 1.00 0.00 C ATOM 1416 O ARG A 97 26.674 1.559 3.827 1.00 0.00 O ATOM 1417 CB ARG A 97 25.534 3.738 1.581 1.00 0.00 C ATOM 1418 CG ARG A 97 24.383 4.644 1.112 1.00 0.00 C ATOM 1419 CD ARG A 97 24.566 6.097 1.564 1.00 0.00 C ATOM 1420 NE ARG A 97 24.269 6.260 2.988 1.00 0.00 N ATOM 1421 CZ ARG A 97 23.074 6.602 3.477 1.00 0.00 C ATOM 1422 NH1 ARG A 97 22.044 6.834 2.669 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.909 6.711 4.788 1.00 0.00 N ATOM 0 H ARG A 97 27.514 4.097 3.181 1.00 0.00 H new ATOM 0 HA ARG A 97 24.574 3.917 3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 97 26.486 4.180 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.463 2.772 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 97 24.316 4.610 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.440 4.261 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.590 6.414 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.914 6.745 0.979 1.00 0.00 H new ATOM 0 HE ARG A 97 25.027 6.102 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.160 6.752 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.138 7.094 3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.692 6.534 5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.999 6.972 5.168 1.00 0.00 H new ATOM 1437 N PRO A 98 24.483 1.303 3.376 1.00 0.00 N ATOM 1438 CA PRO A 98 24.439 -0.108 3.713 1.00 0.00 C ATOM 1439 C PRO A 98 25.148 -0.927 2.642 1.00 0.00 C ATOM 1440 O PRO A 98 25.423 -0.426 1.550 1.00 0.00 O ATOM 1441 CB PRO A 98 22.952 -0.457 3.796 1.00 0.00 C ATOM 1442 CG PRO A 98 22.300 0.539 2.839 1.00 0.00 C ATOM 1443 CD PRO A 98 23.190 1.779 2.928 1.00 0.00 C ATOM 0 HA PRO A 98 24.947 -0.328 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.764 -1.487 3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.570 -0.348 4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.261 0.148 1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.275 0.762 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.269 2.274 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.778 2.507 3.626 1.00 0.00 H new ATOM 1451 N VAL A 99 25.439 -2.189 2.950 1.00 0.00 N ATOM 1452 CA VAL A 99 26.157 -3.059 2.030 1.00 0.00 C ATOM 1453 C VAL A 99 25.686 -4.500 2.188 1.00 0.00 C ATOM 1454 O VAL A 99 25.626 -5.034 3.294 1.00 0.00 O ATOM 1455 CB VAL A 99 27.667 -2.938 2.289 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.016 -3.189 3.759 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.449 -3.937 1.440 1.00 0.00 C ATOM 0 H VAL A 99 25.186 -2.630 3.834 1.00 0.00 H new ATOM 0 HA VAL A 99 25.952 -2.754 1.004 1.00 0.00 H new ATOM 0 HB VAL A 99 27.943 -1.918 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.093 -3.094 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.503 -2.459 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.701 -4.194 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.515 -3.831 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.132 -4.950 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.259 -3.744 0.384 1.00 0.00 H new ATOM 1467 N LEU A 100 25.350 -5.122 1.058 1.00 0.00 N ATOM 1468 CA LEU A 100 25.091 -6.551 0.996 1.00 0.00 C ATOM 1469 C LEU A 100 26.404 -7.269 0.687 1.00 0.00 C ATOM 1470 O LEU A 100 27.291 -6.697 0.054 1.00 0.00 O ATOM 1471 CB LEU A 100 24.037 -6.841 -0.074 1.00 0.00 C ATOM 1472 CG LEU A 100 22.685 -6.207 0.267 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.723 -6.424 -0.895 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.089 -6.859 1.517 1.00 0.00 C ATOM 0 H LEU A 100 25.251 -4.645 0.162 1.00 0.00 H new ATOM 0 HA LEU A 100 24.704 -6.910 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.383 -6.462 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.916 -7.919 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 100 22.834 -5.143 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.759 -5.975 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.128 -5.960 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.593 -7.493 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.129 -6.397 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.946 -7.925 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.768 -6.720 2.359 1.00 0.00 H new ATOM 1486 N GLN A 101 26.539 -8.518 1.127 1.00 0.00 N ATOM 1487 CA GLN A 101 27.801 -9.242 1.017 1.00 0.00 C ATOM 1488 C GLN A 101 27.538 -10.697 0.620 1.00 0.00 C ATOM 1489 O GLN A 101 27.022 -10.959 -0.466 1.00 0.00 O ATOM 1490 CB GLN A 101 28.564 -9.095 2.340 1.00 0.00 C ATOM 1491 CG GLN A 101 30.025 -9.542 2.216 1.00 0.00 C ATOM 1492 CD GLN A 101 30.840 -9.128 3.436 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.288 -8.850 4.497 1.00 0.00 O ATOM 1494 NE2 GLN A 101 32.159 -9.080 3.290 1.00 0.00 N ATOM 0 H GLN A 101 25.787 -9.050 1.564 1.00 0.00 H new ATOM 0 HA GLN A 101 28.428 -8.825 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.530 -8.055 2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.069 -9.685 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.067 -10.625 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.465 -9.107 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.582 -9.318 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.749 -8.805 4.075 1.00 0.00 H new ATOM 1503 N LYS A 102 27.892 -11.640 1.500 1.00 0.00 N ATOM 1504 CA LYS A 102 27.610 -13.064 1.325 1.00 0.00 C ATOM 1505 C LYS A 102 26.104 -13.290 1.146 1.00 0.00 C ATOM 1506 O LYS A 102 25.318 -12.389 1.429 1.00 0.00 O ATOM 1507 CB LYS A 102 28.203 -13.848 2.512 1.00 0.00 C ATOM 1508 CG LYS A 102 27.911 -13.227 3.890 1.00 0.00 C ATOM 1509 CD LYS A 102 26.425 -13.284 4.255 1.00 0.00 C ATOM 1510 CE LYS A 102 26.212 -12.866 5.709 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.897 -13.785 6.641 1.00 0.00 N ATOM 0 H LYS A 102 28.389 -11.430 2.365 1.00 0.00 H new ATOM 0 HA LYS A 102 28.085 -13.437 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.810 -14.864 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.283 -13.921 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.489 -13.751 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.244 -12.189 3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.858 -12.628 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.046 -14.294 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.585 -11.852 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.145 -12.849 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.455 -13.721 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 26.819 -14.760 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.901 -13.522 6.713 1.00 0.00 H new ATOM 1525 N PRO A 103 25.689 -14.478 0.678 1.00 0.00 N ATOM 1526 CA PRO A 103 24.288 -14.787 0.459 1.00 0.00 C ATOM 1527 C PRO A 103 23.432 -14.400 1.664 1.00 0.00 C ATOM 1528 O PRO A 103 23.851 -14.561 2.811 1.00 0.00 O ATOM 1529 CB PRO A 103 24.240 -16.286 0.162 1.00 0.00 C ATOM 1530 CG PRO A 103 25.627 -16.583 -0.415 1.00 0.00 C ATOM 1531 CD PRO A 103 26.537 -15.592 0.308 1.00 0.00 C ATOM 0 HA PRO A 103 23.872 -14.215 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.048 -16.867 1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.450 -16.529 -0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.927 -17.614 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.652 -16.436 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.991 -16.048 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.352 -15.266 -0.338 1.00 0.00 H new ATOM 1539 N PHE A 104 22.234 -13.887 1.388 1.00 0.00 N ATOM 1540 CA PHE A 104 21.380 -13.271 2.393 1.00 0.00 C ATOM 1541 C PHE A 104 19.941 -13.778 2.405 1.00 0.00 C ATOM 1542 O PHE A 104 19.426 -14.216 1.376 1.00 0.00 O ATOM 1543 CB PHE A 104 21.476 -11.747 2.305 1.00 0.00 C ATOM 1544 CG PHE A 104 21.677 -11.253 0.890 1.00 0.00 C ATOM 1545 CD1 PHE A 104 20.638 -11.356 -0.045 1.00 0.00 C ATOM 1546 CD2 PHE A 104 22.908 -10.704 0.506 1.00 0.00 C ATOM 1547 CE1 PHE A 104 20.836 -10.932 -1.365 1.00 0.00 C ATOM 1548 CE2 PHE A 104 23.112 -10.291 -0.818 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.074 -10.405 -1.754 1.00 0.00 C ATOM 0 H PHE A 104 21.829 -13.889 0.452 1.00 0.00 H new ATOM 0 HA PHE A 104 21.765 -13.587 3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.566 -11.306 2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.303 -11.403 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 104 19.683 -11.763 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 104 23.701 -10.599 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 104 20.034 -11.011 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 104 24.067 -9.886 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.229 -10.087 -2.774 1.00 0.00 H new ATOM 1559 N THR A 105 19.296 -13.713 3.573 1.00 0.00 N ATOM 1560 CA THR A 105 17.900 -14.105 3.725 1.00 0.00 C ATOM 1561 C THR A 105 16.931 -12.995 3.339 1.00 0.00 C ATOM 1562 O THR A 105 17.350 -11.882 3.020 1.00 0.00 O ATOM 1563 CB THR A 105 17.621 -14.623 5.140 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.345 -13.534 5.997 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.807 -15.410 5.697 1.00 0.00 C ATOM 0 H THR A 105 19.730 -13.387 4.437 1.00 0.00 H new ATOM 0 HA THR A 105 17.727 -14.922 3.024 1.00 0.00 H new ATOM 0 HB THR A 105 16.762 -15.292 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.165 -13.867 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.571 -15.761 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.011 -16.265 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.686 -14.766 5.734 1.00 0.00 H new ATOM 1573 N MET A 106 15.630 -13.295 3.368 1.00 0.00 N ATOM 1574 CA MET A 106 14.601 -12.313 3.070 1.00 0.00 C ATOM 1575 C MET A 106 14.666 -11.164 4.076 1.00 0.00 C ATOM 1576 O MET A 106 14.319 -10.028 3.755 1.00 0.00 O ATOM 1577 CB MET A 106 13.238 -13.011 3.117 1.00 0.00 C ATOM 1578 CG MET A 106 12.073 -12.059 2.833 1.00 0.00 C ATOM 1579 SD MET A 106 11.813 -11.647 1.085 1.00 0.00 S ATOM 1580 CE MET A 106 12.959 -10.259 0.898 1.00 0.00 C ATOM 0 H MET A 106 15.269 -14.221 3.598 1.00 0.00 H new ATOM 0 HA MET A 106 14.756 -11.891 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.225 -13.821 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.100 -13.463 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.158 -12.505 3.224 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.238 -11.134 3.386 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.829 -9.810 -0.087 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.755 -9.513 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 106 13.983 -10.616 1.002 1.00 0.00 H new ATOM 1590 N ASP A 107 15.118 -11.456 5.301 1.00 0.00 N ATOM 1591 CA ASP A 107 15.269 -10.442 6.334 1.00 0.00 C ATOM 1592 C ASP A 107 16.592 -9.687 6.203 1.00 0.00 C ATOM 1593 O ASP A 107 16.725 -8.578 6.718 1.00 0.00 O ATOM 1594 CB ASP A 107 15.155 -11.090 7.715 1.00 0.00 C ATOM 1595 CG ASP A 107 13.753 -11.640 7.995 1.00 0.00 C ATOM 1596 OD1 ASP A 107 12.851 -11.409 7.160 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.603 -12.286 9.054 1.00 0.00 O ATOM 0 H ASP A 107 15.385 -12.395 5.596 1.00 0.00 H new ATOM 0 HA ASP A 107 14.469 -9.712 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.881 -11.899 7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.412 -10.356 8.479 1.00 0.00 H new ATOM 1602 N GLY A 108 17.569 -10.284 5.513 1.00 0.00 N ATOM 1603 CA GLY A 108 18.887 -9.685 5.352 1.00 0.00 C ATOM 1604 C GLY A 108 18.850 -8.534 4.354 1.00 0.00 C ATOM 1605 O GLY A 108 19.513 -7.519 4.558 1.00 0.00 O ATOM 0 H GLY A 108 17.465 -11.190 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.245 -9.323 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.594 -10.442 5.013 1.00 0.00 H new ATOM 1609 N VAL A 109 18.077 -8.680 3.275 1.00 0.00 N ATOM 1610 CA VAL A 109 17.914 -7.607 2.305 1.00 0.00 C ATOM 1611 C VAL A 109 16.957 -6.546 2.836 1.00 0.00 C ATOM 1612 O VAL A 109 17.076 -5.374 2.483 1.00 0.00 O ATOM 1613 CB VAL A 109 17.436 -8.168 0.961 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.346 -9.307 0.506 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.002 -8.688 1.069 1.00 0.00 C ATOM 0 H VAL A 109 17.558 -9.530 3.056 1.00 0.00 H new ATOM 0 HA VAL A 109 18.881 -7.131 2.144 1.00 0.00 H new ATOM 0 HB VAL A 109 17.470 -7.359 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.993 -9.695 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.365 -8.936 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.330 -10.104 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.684 -9.081 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.958 -9.480 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.341 -7.873 1.365 1.00 0.00 H new ATOM 1625 N ALA A 110 16.008 -6.950 3.685 1.00 0.00 N ATOM 1626 CA ALA A 110 15.081 -6.016 4.299 1.00 0.00 C ATOM 1627 C ALA A 110 15.816 -5.159 5.333 1.00 0.00 C ATOM 1628 O ALA A 110 15.398 -4.039 5.622 1.00 0.00 O ATOM 1629 CB ALA A 110 13.939 -6.795 4.952 1.00 0.00 C ATOM 0 H ALA A 110 15.867 -7.922 3.959 1.00 0.00 H new ATOM 0 HA ALA A 110 14.666 -5.353 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.241 -6.098 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.419 -7.381 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.343 -7.463 5.713 1.00 0.00 H new ATOM 1635 N LYS A 111 16.914 -5.689 5.890 1.00 0.00 N ATOM 1636 CA LYS A 111 17.727 -4.968 6.856 1.00 0.00 C ATOM 1637 C LYS A 111 18.532 -3.873 6.166 1.00 0.00 C ATOM 1638 O LYS A 111 18.679 -2.776 6.701 1.00 0.00 O ATOM 1639 CB LYS A 111 18.654 -5.966 7.548 1.00 0.00 C ATOM 1640 CG LYS A 111 19.469 -5.282 8.641 1.00 0.00 C ATOM 1641 CD LYS A 111 20.387 -6.304 9.307 1.00 0.00 C ATOM 1642 CE LYS A 111 19.587 -7.349 10.091 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.838 -6.738 11.204 1.00 0.00 N ATOM 0 H LYS A 111 17.255 -6.627 5.679 1.00 0.00 H new ATOM 0 HA LYS A 111 17.086 -4.488 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.066 -6.776 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.325 -6.415 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.059 -4.470 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.804 -4.838 9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.991 -6.801 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.076 -5.792 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.893 -7.855 9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 111 20.264 -8.108 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.534 -7.480 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 19.448 -6.059 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.003 -6.244 10.830 1.00 0.00 H new ATOM 1657 N ALA A 112 19.050 -4.171 4.972 1.00 0.00 N ATOM 1658 CA ALA A 112 19.860 -3.230 4.218 1.00 0.00 C ATOM 1659 C ALA A 112 19.000 -2.123 3.619 1.00 0.00 C ATOM 1660 O ALA A 112 19.410 -0.967 3.600 1.00 0.00 O ATOM 1661 CB ALA A 112 20.603 -3.984 3.117 1.00 0.00 C ATOM 0 H ALA A 112 18.917 -5.069 4.508 1.00 0.00 H new ATOM 0 HA ALA A 112 20.578 -2.761 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.214 -3.285 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.244 -4.744 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.882 -4.462 2.454 1.00 0.00 H new ATOM 1667 N LEU A 113 17.802 -2.467 3.130 1.00 0.00 N ATOM 1668 CA LEU A 113 16.917 -1.485 2.516 1.00 0.00 C ATOM 1669 C LEU A 113 16.268 -0.600 3.581 1.00 0.00 C ATOM 1670 O LEU A 113 15.825 0.503 3.274 1.00 0.00 O ATOM 1671 CB LEU A 113 15.849 -2.207 1.691 1.00 0.00 C ATOM 1672 CG LEU A 113 16.458 -2.900 0.465 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.374 -3.721 -0.232 1.00 0.00 C ATOM 1674 CD2 LEU A 113 17.002 -1.871 -0.527 1.00 0.00 C ATOM 0 H LEU A 113 17.429 -3.416 3.150 1.00 0.00 H new ATOM 0 HA LEU A 113 17.502 -0.841 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.344 -2.945 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.093 -1.492 1.368 1.00 0.00 H new ATOM 0 HG LEU A 113 17.275 -3.540 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.798 -4.217 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.985 -4.470 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.565 -3.062 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.429 -2.386 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.192 -1.221 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.774 -1.272 -0.043 1.00 0.00 H new ATOM 1686 N ALA A 114 16.207 -1.071 4.830 1.00 0.00 N ATOM 1687 CA ALA A 114 15.681 -0.271 5.924 1.00 0.00 C ATOM 1688 C ALA A 114 16.735 0.735 6.395 1.00 0.00 C ATOM 1689 O ALA A 114 16.398 1.838 6.814 1.00 0.00 O ATOM 1690 CB ALA A 114 15.268 -1.194 7.069 1.00 0.00 C ATOM 0 H ALA A 114 16.517 -2.004 5.102 1.00 0.00 H new ATOM 0 HA ALA A 114 14.808 0.286 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.873 -0.598 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.501 -1.885 6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.135 -1.758 7.413 1.00 0.00 H new ATOM 1696 N ALA A 115 18.013 0.348 6.319 1.00 0.00 N ATOM 1697 CA ALA A 115 19.118 1.219 6.679 1.00 0.00 C ATOM 1698 C ALA A 115 19.474 2.148 5.514 1.00 0.00 C ATOM 1699 O ALA A 115 20.257 3.077 5.680 1.00 0.00 O ATOM 1700 CB ALA A 115 20.321 0.368 7.084 1.00 0.00 C ATOM 0 H ALA A 115 18.302 -0.579 6.005 1.00 0.00 H new ATOM 0 HA ALA A 115 18.824 1.844 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.152 1.019 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.055 -0.255 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.615 -0.267 6.249 1.00 0.00 H new ATOM 1706 N LEU A 116 18.904 1.899 4.333 1.00 0.00 N ATOM 1707 CA LEU A 116 19.191 2.691 3.148 1.00 0.00 C ATOM 1708 C LEU A 116 18.559 4.080 3.228 1.00 0.00 C ATOM 1709 O LEU A 116 19.017 5.011 2.567 1.00 0.00 O ATOM 1710 CB LEU A 116 18.670 1.909 1.943 1.00 0.00 C ATOM 1711 CG LEU A 116 18.996 2.579 0.615 1.00 0.00 C ATOM 1712 CD1 LEU A 116 20.500 2.782 0.465 1.00 0.00 C ATOM 1713 CD2 LEU A 116 18.518 1.669 -0.511 1.00 0.00 C ATOM 0 H LEU A 116 18.235 1.145 4.177 1.00 0.00 H new ATOM 0 HA LEU A 116 20.265 2.857 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 116 19.099 0.907 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.590 1.794 2.031 1.00 0.00 H new ATOM 0 HG LEU A 116 18.503 3.550 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 116 20.709 3.262 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 116 20.865 3.413 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 116 21.003 1.816 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 116 18.742 2.131 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.027 0.708 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.442 1.517 -0.424 1.00 0.00 H new ATOM 1725 N LEU A 117 17.502 4.225 4.032 1.00 0.00 N ATOM 1726 CA LEU A 117 16.767 5.481 4.141 1.00 0.00 C ATOM 1727 C LEU A 117 17.353 6.383 5.232 1.00 0.00 C ATOM 1728 O LEU A 117 16.900 7.519 5.389 1.00 0.00 O ATOM 1729 CB LEU A 117 15.294 5.179 4.437 1.00 0.00 C ATOM 1730 CG LEU A 117 14.489 4.954 3.150 1.00 0.00 C ATOM 1731 CD1 LEU A 117 14.983 3.727 2.386 1.00 0.00 C ATOM 1732 CD2 LEU A 117 13.022 4.745 3.513 1.00 0.00 C ATOM 0 H LEU A 117 17.136 3.477 4.621 1.00 0.00 H new ATOM 0 HA LEU A 117 16.852 6.015 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.224 4.294 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.859 6.006 4.998 1.00 0.00 H new ATOM 0 HG LEU A 117 14.614 5.830 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.390 3.599 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.031 3.863 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.882 2.842 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.442 4.584 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.928 3.874 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.646 5.627 4.032 1.00 0.00 H new ATOM 1744 N VAL A 118 18.348 5.902 5.987 1.00 0.00 N ATOM 1745 CA VAL A 118 18.947 6.684 7.069 1.00 0.00 C ATOM 1746 C VAL A 118 19.855 7.794 6.545 1.00 0.00 C ATOM 1747 O VAL A 118 20.396 7.617 5.432 1.00 0.00 O ATOM 1748 CB VAL A 118 19.655 5.781 8.089 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.862 4.496 8.326 1.00 0.00 C ATOM 1750 CG2 VAL A 118 21.070 5.448 7.619 1.00 0.00 C ATOM 0 H VAL A 118 18.754 4.974 5.866 1.00 0.00 H new ATOM 0 HA VAL A 118 18.133 7.182 7.596 1.00 0.00 H new ATOM 0 HB VAL A 118 19.717 6.324 9.032 1.00 0.00 H new ATOM 0 HG11 VAL A 118 19.385 3.874 9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 118 17.872 4.745 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.763 3.951 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 118 21.556 4.807 8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 118 21.023 4.930 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 118 21.642 6.369 7.505 1.00 0.00 H new TER 1760 VAL A 118