USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -167:sc= 0 (180deg=-0.213) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -147:sc= -0.168 (180deg=-0.863) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 7 GLN : amide:sc= -6.84! C(o=-6.8!,f=-8.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 138:sc= 0.86 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 88:sc= 1.05 USER MOD Single : A 46 MET CE :methyl 141:sc= -0.341 (180deg=-1.88!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.075) USER MOD Single : A 52 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot 131:sc= -1.76! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.769! USER MOD Single : A 81 MET CE :methyl -143:sc= -3.75! (180deg=-5.4!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.3!) USER MOD Single : A 86 MET CE :methyl 179:sc= -3.54 (180deg=-3.6) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.864 -7.040 -10.015 1.00 0.00 N ATOM 2 CA ALA A 1 -15.914 -7.504 -8.965 1.00 0.00 C ATOM 3 C ALA A 1 -15.569 -6.336 -8.039 1.00 0.00 C ATOM 4 O ALA A 1 -15.322 -6.515 -6.862 1.00 0.00 O ATOM 5 CB ALA A 1 -14.638 -8.024 -9.627 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.269 -7.863 -10.505 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.628 -6.490 -9.573 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.359 -6.443 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.374 -8.304 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.942 -8.364 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.884 -8.855 -10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.177 -7.224 -10.206 1.00 0.00 H new ATOM 13 N SER A 2 -15.551 -5.141 -8.561 1.00 0.00 N ATOM 14 CA SER A 2 -15.223 -3.958 -7.714 1.00 0.00 C ATOM 15 C SER A 2 -13.812 -4.116 -7.135 1.00 0.00 C ATOM 16 O SER A 2 -12.830 -3.874 -7.808 1.00 0.00 O ATOM 17 CB SER A 2 -16.243 -3.845 -6.580 1.00 0.00 C ATOM 18 OG SER A 2 -17.530 -3.594 -7.130 1.00 0.00 O ATOM 0 H SER A 2 -15.750 -4.931 -9.539 1.00 0.00 H new ATOM 0 HA SER A 2 -15.260 -3.053 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.258 -4.765 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.962 -3.040 -5.901 1.00 0.00 H new ATOM 0 HG SER A 2 -18.187 -3.523 -6.406 1.00 0.00 H new ATOM 24 N MET A 3 -13.696 -4.514 -5.896 1.00 0.00 N ATOM 25 CA MET A 3 -12.340 -4.676 -5.297 1.00 0.00 C ATOM 26 C MET A 3 -12.325 -5.891 -4.364 1.00 0.00 C ATOM 27 O MET A 3 -11.364 -6.127 -3.661 1.00 0.00 O ATOM 28 CB MET A 3 -11.982 -3.418 -4.503 1.00 0.00 C ATOM 29 CG MET A 3 -10.637 -3.622 -3.804 1.00 0.00 C ATOM 30 SD MET A 3 -9.607 -2.152 -4.036 1.00 0.00 S ATOM 31 CE MET A 3 -9.342 -2.337 -5.817 1.00 0.00 C ATOM 0 H MET A 3 -14.476 -4.733 -5.277 1.00 0.00 H new ATOM 0 HA MET A 3 -11.611 -4.827 -6.093 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.931 -2.557 -5.169 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.758 -3.206 -3.767 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.792 -3.806 -2.741 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.134 -4.500 -4.210 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.352 -1.963 -6.078 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.415 -3.390 -6.088 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.099 -1.770 -6.358 1.00 0.00 H new ATOM 41 N THR A 4 -13.374 -6.667 -4.355 1.00 0.00 N ATOM 42 CA THR A 4 -13.401 -7.866 -3.469 1.00 0.00 C ATOM 43 C THR A 4 -12.632 -9.001 -4.143 1.00 0.00 C ATOM 44 O THR A 4 -11.819 -9.663 -3.530 1.00 0.00 O ATOM 45 CB THR A 4 -14.849 -8.298 -3.234 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.872 -9.407 -2.346 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.482 -8.696 -4.566 1.00 0.00 C ATOM 0 H THR A 4 -14.211 -6.524 -4.920 1.00 0.00 H new ATOM 0 HA THR A 4 -12.939 -7.626 -2.511 1.00 0.00 H new ATOM 0 HB THR A 4 -15.411 -7.472 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.799 -9.684 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.514 -9.004 -4.401 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.462 -7.845 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.922 -9.523 -5.002 1.00 0.00 H new ATOM 55 N ASP A 5 -12.875 -9.223 -5.406 1.00 0.00 N ATOM 56 CA ASP A 5 -12.149 -10.306 -6.124 1.00 0.00 C ATOM 57 C ASP A 5 -10.754 -9.803 -6.497 1.00 0.00 C ATOM 58 O ASP A 5 -9.794 -10.547 -6.507 1.00 0.00 O ATOM 59 CB ASP A 5 -12.914 -10.681 -7.394 1.00 0.00 C ATOM 60 CG ASP A 5 -12.385 -12.012 -7.933 1.00 0.00 C ATOM 61 OD1 ASP A 5 -11.927 -12.812 -7.134 1.00 0.00 O ATOM 62 OD2 ASP A 5 -12.446 -12.207 -9.135 1.00 0.00 O ATOM 0 H ASP A 5 -13.545 -8.701 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.067 -11.184 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.980 -10.761 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.798 -9.900 -8.145 1.00 0.00 H new ATOM 67 N GLN A 6 -10.639 -8.540 -6.800 1.00 0.00 N ATOM 68 CA GLN A 6 -9.311 -7.975 -7.167 1.00 0.00 C ATOM 69 C GLN A 6 -8.364 -8.103 -5.978 1.00 0.00 C ATOM 70 O GLN A 6 -7.215 -8.471 -6.118 1.00 0.00 O ATOM 71 CB GLN A 6 -9.470 -6.496 -7.519 1.00 0.00 C ATOM 72 CG GLN A 6 -8.982 -6.253 -8.945 1.00 0.00 C ATOM 73 CD GLN A 6 -7.455 -6.315 -8.982 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.885 -7.325 -9.345 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.764 -5.270 -8.621 1.00 0.00 N ATOM 0 H GLN A 6 -11.410 -7.873 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.908 -8.517 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.515 -6.200 -7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.902 -5.882 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.403 -7.001 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.325 -5.280 -9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.243 -4.422 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.745 -5.300 -8.643 1.00 0.00 H new ATOM 84 N GLN A 7 -8.842 -7.793 -4.806 1.00 0.00 N ATOM 85 CA GLN A 7 -7.977 -7.885 -3.599 1.00 0.00 C ATOM 86 C GLN A 7 -7.986 -9.323 -3.071 1.00 0.00 C ATOM 87 O GLN A 7 -7.062 -9.757 -2.414 1.00 0.00 O ATOM 88 CB GLN A 7 -8.504 -6.917 -2.532 1.00 0.00 C ATOM 89 CG GLN A 7 -9.636 -7.572 -1.728 1.00 0.00 C ATOM 90 CD GLN A 7 -10.609 -6.497 -1.242 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.289 -5.324 -1.245 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.795 -6.849 -0.824 1.00 0.00 N ATOM 0 H GLN A 7 -9.797 -7.479 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.952 -7.614 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.694 -6.628 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.867 -6.005 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.161 -8.299 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.224 -8.115 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.064 -7.833 -0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.453 -6.140 -0.500 1.00 0.00 H new ATOM 101 N ALA A 8 -9.023 -10.061 -3.355 1.00 0.00 N ATOM 102 CA ALA A 8 -9.091 -11.469 -2.871 1.00 0.00 C ATOM 103 C ALA A 8 -7.754 -12.161 -3.124 1.00 0.00 C ATOM 104 O ALA A 8 -7.181 -12.775 -2.245 1.00 0.00 O ATOM 105 CB ALA A 8 -10.187 -12.214 -3.632 1.00 0.00 C ATOM 0 H ALA A 8 -9.826 -9.750 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.312 -11.473 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.239 -13.244 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.146 -11.724 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.960 -12.206 -4.698 1.00 0.00 H new ATOM 111 N GLU A 9 -7.259 -12.077 -4.327 1.00 0.00 N ATOM 112 CA GLU A 9 -5.967 -12.737 -4.652 1.00 0.00 C ATOM 113 C GLU A 9 -4.822 -12.059 -3.892 1.00 0.00 C ATOM 114 O GLU A 9 -3.862 -12.695 -3.504 1.00 0.00 O ATOM 115 CB GLU A 9 -5.714 -12.630 -6.156 1.00 0.00 C ATOM 116 CG GLU A 9 -4.287 -13.075 -6.460 1.00 0.00 C ATOM 117 CD GLU A 9 -4.267 -13.871 -7.766 1.00 0.00 C ATOM 118 OE1 GLU A 9 -4.354 -13.253 -8.815 1.00 0.00 O ATOM 119 OE2 GLU A 9 -4.164 -15.084 -7.695 1.00 0.00 O ATOM 0 H GLU A 9 -7.696 -11.577 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.015 -13.785 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.425 -13.251 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.866 -11.604 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.634 -12.206 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.904 -13.687 -5.643 1.00 0.00 H new ATOM 126 N ALA A 10 -4.909 -10.773 -3.681 1.00 0.00 N ATOM 127 CA ALA A 10 -3.818 -10.066 -2.951 1.00 0.00 C ATOM 128 C ALA A 10 -3.680 -10.645 -1.541 1.00 0.00 C ATOM 129 O ALA A 10 -2.590 -10.796 -1.026 1.00 0.00 O ATOM 130 CB ALA A 10 -4.146 -8.574 -2.862 1.00 0.00 C ATOM 0 H ALA A 10 -5.685 -10.184 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.879 -10.200 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.348 -8.057 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.237 -8.161 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.086 -8.439 -2.328 1.00 0.00 H new ATOM 136 N ARG A 11 -4.774 -10.971 -0.909 1.00 0.00 N ATOM 137 CA ARG A 11 -4.699 -11.540 0.466 1.00 0.00 C ATOM 138 C ARG A 11 -4.267 -13.005 0.386 1.00 0.00 C ATOM 139 O ARG A 11 -3.701 -13.547 1.314 1.00 0.00 O ATOM 140 CB ARG A 11 -6.075 -11.450 1.129 1.00 0.00 C ATOM 141 CG ARG A 11 -6.010 -10.482 2.311 1.00 0.00 C ATOM 142 CD ARG A 11 -7.367 -10.448 3.017 1.00 0.00 C ATOM 143 NE ARG A 11 -7.217 -10.965 4.406 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.061 -10.131 5.400 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.865 -9.720 5.724 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.099 -9.711 6.069 1.00 0.00 N ATOM 0 H ARG A 11 -5.716 -10.868 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.974 -10.978 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.817 -11.109 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.391 -12.436 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.233 -10.794 3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.744 -9.484 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.753 -9.429 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.090 -11.052 2.469 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.236 -11.970 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.053 -10.050 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.742 -9.069 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.033 -10.034 5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.977 -9.060 6.845 1.00 0.00 H new ATOM 160 N ALA A 12 -4.532 -13.649 -0.716 1.00 0.00 N ATOM 161 CA ALA A 12 -4.139 -15.079 -0.858 1.00 0.00 C ATOM 162 C ALA A 12 -2.666 -15.246 -0.480 1.00 0.00 C ATOM 163 O ALA A 12 -2.339 -15.753 0.576 1.00 0.00 O ATOM 164 CB ALA A 12 -4.347 -15.522 -2.306 1.00 0.00 C ATOM 0 H ALA A 12 -5.004 -13.247 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.753 -15.691 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.060 -16.568 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.397 -15.405 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.733 -14.909 -2.966 1.00 0.00 H new ATOM 170 N PHE A 13 -1.772 -14.828 -1.334 1.00 0.00 N ATOM 171 CA PHE A 13 -0.321 -14.970 -1.023 1.00 0.00 C ATOM 172 C PHE A 13 0.020 -14.159 0.230 1.00 0.00 C ATOM 173 O PHE A 13 1.028 -14.383 0.869 1.00 0.00 O ATOM 174 CB PHE A 13 0.507 -14.458 -2.202 1.00 0.00 C ATOM 175 CG PHE A 13 1.973 -14.509 -1.844 1.00 0.00 C ATOM 176 CD1 PHE A 13 2.603 -15.744 -1.648 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.703 -13.322 -1.706 1.00 0.00 C ATOM 178 CE1 PHE A 13 3.963 -15.791 -1.315 1.00 0.00 C ATOM 179 CE2 PHE A 13 4.061 -13.369 -1.373 1.00 0.00 C ATOM 180 CZ PHE A 13 4.691 -14.604 -1.177 1.00 0.00 C ATOM 0 H PHE A 13 -1.983 -14.395 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.092 -16.021 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.316 -15.066 -3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.217 -13.437 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.041 -16.660 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.217 -12.369 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.450 -16.743 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.623 -12.453 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.739 -14.640 -0.919 1.00 0.00 H new ATOM 190 N LEU A 14 -0.812 -13.219 0.587 1.00 0.00 N ATOM 191 CA LEU A 14 -0.532 -12.399 1.799 1.00 0.00 C ATOM 192 C LEU A 14 -0.993 -13.159 3.044 1.00 0.00 C ATOM 193 O LEU A 14 -1.982 -12.817 3.662 1.00 0.00 O ATOM 194 CB LEU A 14 -1.285 -11.069 1.700 1.00 0.00 C ATOM 195 CG LEU A 14 -0.348 -9.983 1.165 1.00 0.00 C ATOM 196 CD1 LEU A 14 0.650 -9.586 2.255 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.414 -10.516 -0.052 1.00 0.00 C ATOM 0 H LEU A 14 -1.672 -12.984 0.092 1.00 0.00 H new ATOM 0 HA LEU A 14 0.538 -12.204 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.147 -11.176 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.667 -10.783 2.680 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.935 -9.112 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.317 -8.813 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.110 -9.204 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.235 -10.458 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.081 -9.742 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.999 -11.388 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.295 -10.798 -0.830 1.00 0.00 H new ATOM 209 N SER A 15 -0.286 -14.193 3.416 1.00 0.00 N ATOM 210 CA SER A 15 -0.686 -14.977 4.619 1.00 0.00 C ATOM 211 C SER A 15 -0.905 -14.027 5.798 1.00 0.00 C ATOM 212 O SER A 15 -0.338 -12.955 5.858 1.00 0.00 O ATOM 213 CB SER A 15 0.418 -15.976 4.968 1.00 0.00 C ATOM 214 OG SER A 15 -0.079 -16.914 5.913 1.00 0.00 O ATOM 0 H SER A 15 0.551 -14.528 2.938 1.00 0.00 H new ATOM 0 HA SER A 15 -1.610 -15.516 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.755 -16.492 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.282 -15.453 5.378 1.00 0.00 H new ATOM 0 HG SER A 15 0.626 -17.557 6.138 1.00 0.00 H new ATOM 220 N GLU A 16 -1.723 -14.415 6.739 1.00 0.00 N ATOM 221 CA GLU A 16 -1.974 -13.535 7.915 1.00 0.00 C ATOM 222 C GLU A 16 -0.638 -13.107 8.521 1.00 0.00 C ATOM 223 O GLU A 16 -0.535 -12.079 9.161 1.00 0.00 O ATOM 224 CB GLU A 16 -2.787 -14.300 8.961 1.00 0.00 C ATOM 225 CG GLU A 16 -3.793 -13.355 9.621 1.00 0.00 C ATOM 226 CD GLU A 16 -5.214 -13.832 9.320 1.00 0.00 C ATOM 227 OE1 GLU A 16 -5.443 -14.285 8.210 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.049 -13.737 10.203 1.00 0.00 O ATOM 0 H GLU A 16 -2.227 -15.302 6.744 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.530 -12.653 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.310 -15.134 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.123 -14.724 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.628 -13.326 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.652 -12.340 9.250 1.00 0.00 H new ATOM 235 N GLU A 17 0.387 -13.890 8.326 1.00 0.00 N ATOM 236 CA GLU A 17 1.717 -13.532 8.891 1.00 0.00 C ATOM 237 C GLU A 17 2.359 -12.441 8.030 1.00 0.00 C ATOM 238 O GLU A 17 2.944 -11.503 8.535 1.00 0.00 O ATOM 239 CB GLU A 17 2.615 -14.770 8.900 1.00 0.00 C ATOM 240 CG GLU A 17 2.525 -15.454 10.266 1.00 0.00 C ATOM 241 CD GLU A 17 2.724 -16.962 10.095 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.741 -17.412 8.962 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.857 -17.639 11.100 1.00 0.00 O ATOM 0 H GLU A 17 0.360 -14.763 7.799 1.00 0.00 H new ATOM 0 HA GLU A 17 1.594 -13.165 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.309 -15.461 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.646 -14.486 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.283 -15.050 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.555 -15.254 10.722 1.00 0.00 H new ATOM 250 N MET A 18 2.251 -12.552 6.734 1.00 0.00 N ATOM 251 CA MET A 18 2.854 -11.517 5.847 1.00 0.00 C ATOM 252 C MET A 18 2.356 -10.135 6.276 1.00 0.00 C ATOM 253 O MET A 18 3.113 -9.187 6.348 1.00 0.00 O ATOM 254 CB MET A 18 2.443 -11.782 4.396 1.00 0.00 C ATOM 255 CG MET A 18 3.186 -13.013 3.872 1.00 0.00 C ATOM 256 SD MET A 18 3.927 -12.632 2.265 1.00 0.00 S ATOM 257 CE MET A 18 5.597 -12.271 2.863 1.00 0.00 C ATOM 0 H MET A 18 1.772 -13.313 6.252 1.00 0.00 H new ATOM 0 HA MET A 18 3.940 -11.556 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.366 -11.941 4.335 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.673 -10.915 3.777 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.959 -13.313 4.579 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.498 -13.853 3.777 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.236 -12.007 2.020 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.560 -11.438 3.566 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.002 -13.150 3.364 1.00 0.00 H new ATOM 267 N ILE A 19 1.089 -10.016 6.564 1.00 0.00 N ATOM 268 CA ILE A 19 0.540 -8.699 6.992 1.00 0.00 C ATOM 269 C ILE A 19 0.954 -8.428 8.438 1.00 0.00 C ATOM 270 O ILE A 19 1.245 -7.311 8.815 1.00 0.00 O ATOM 271 CB ILE A 19 -0.987 -8.730 6.897 1.00 0.00 C ATOM 272 CG1 ILE A 19 -1.399 -9.057 5.460 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.556 -7.367 7.291 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.833 -10.521 5.378 1.00 0.00 C ATOM 0 H ILE A 19 0.409 -10.775 6.521 1.00 0.00 H new ATOM 0 HA ILE A 19 0.928 -7.912 6.346 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.376 -9.492 7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.215 -8.406 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.567 -8.874 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.644 -7.393 7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.263 -7.132 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.168 -6.602 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.127 -10.757 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.004 -11.163 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.678 -10.688 6.046 1.00 0.00 H new ATOM 286 N ALA A 20 0.980 -9.447 9.251 1.00 0.00 N ATOM 287 CA ALA A 20 1.373 -9.259 10.674 1.00 0.00 C ATOM 288 C ALA A 20 2.775 -8.648 10.744 1.00 0.00 C ATOM 289 O ALA A 20 3.129 -7.994 11.705 1.00 0.00 O ATOM 290 CB ALA A 20 1.372 -10.616 11.379 1.00 0.00 C ATOM 0 H ALA A 20 0.745 -10.405 8.990 1.00 0.00 H new ATOM 0 HA ALA A 20 0.665 -8.590 11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.659 -10.484 12.422 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.374 -11.051 11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.082 -11.281 10.888 1.00 0.00 H new ATOM 296 N GLU A 21 3.575 -8.856 9.736 1.00 0.00 N ATOM 297 CA GLU A 21 4.953 -8.286 9.750 1.00 0.00 C ATOM 298 C GLU A 21 4.919 -6.851 9.222 1.00 0.00 C ATOM 299 O GLU A 21 5.681 -6.006 9.644 1.00 0.00 O ATOM 300 CB GLU A 21 5.866 -9.134 8.862 1.00 0.00 C ATOM 301 CG GLU A 21 7.267 -9.184 9.472 1.00 0.00 C ATOM 302 CD GLU A 21 7.658 -10.638 9.740 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.983 -11.275 10.533 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.623 -11.091 9.147 1.00 0.00 O ATOM 0 H GLU A 21 3.336 -9.395 8.904 1.00 0.00 H new ATOM 0 HA GLU A 21 5.335 -8.288 10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.463 -10.142 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.910 -8.711 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.986 -8.722 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.291 -8.613 10.400 1.00 0.00 H new ATOM 311 N PHE A 22 4.039 -6.567 8.300 1.00 0.00 N ATOM 312 CA PHE A 22 3.960 -5.187 7.747 1.00 0.00 C ATOM 313 C PHE A 22 3.073 -4.324 8.646 1.00 0.00 C ATOM 314 O PHE A 22 2.826 -3.169 8.364 1.00 0.00 O ATOM 315 CB PHE A 22 3.363 -5.234 6.339 1.00 0.00 C ATOM 316 CG PHE A 22 4.193 -4.381 5.412 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.674 -3.140 5.846 1.00 0.00 C ATOM 318 CD2 PHE A 22 4.483 -4.831 4.119 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.446 -2.350 4.986 1.00 0.00 C ATOM 320 CE2 PHE A 22 5.255 -4.041 3.259 1.00 0.00 C ATOM 321 CZ PHE A 22 5.737 -2.799 3.692 1.00 0.00 C ATOM 0 H PHE A 22 3.372 -7.231 7.907 1.00 0.00 H new ATOM 0 HA PHE A 22 4.961 -4.758 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.336 -6.262 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.334 -4.875 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.450 -2.792 6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.111 -5.788 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.818 -1.393 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.479 -4.389 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.332 -2.189 3.029 1.00 0.00 H new ATOM 331 N LYS A 23 2.589 -4.873 9.726 1.00 0.00 N ATOM 332 CA LYS A 23 1.716 -4.080 10.638 1.00 0.00 C ATOM 333 C LYS A 23 2.582 -3.336 11.658 1.00 0.00 C ATOM 334 O LYS A 23 2.086 -2.784 12.621 1.00 0.00 O ATOM 335 CB LYS A 23 0.765 -5.024 11.378 1.00 0.00 C ATOM 336 CG LYS A 23 -0.588 -5.058 10.664 1.00 0.00 C ATOM 337 CD LYS A 23 -1.534 -6.000 11.412 1.00 0.00 C ATOM 338 CE LYS A 23 -2.792 -6.233 10.574 1.00 0.00 C ATOM 339 NZ LYS A 23 -3.909 -6.659 11.463 1.00 0.00 N ATOM 0 H LYS A 23 2.760 -5.836 10.017 1.00 0.00 H new ATOM 0 HA LYS A 23 1.141 -3.361 10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.191 -6.027 11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.635 -4.691 12.408 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.014 -4.056 10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.460 -5.395 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.036 -6.949 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.802 -5.572 12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.063 -5.320 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.603 -6.996 9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.765 -6.818 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.649 -7.541 11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.095 -5.917 12.167 1.00 0.00 H new ATOM 353 N ALA A 24 3.872 -3.326 11.462 1.00 0.00 N ATOM 354 CA ALA A 24 4.767 -2.627 12.427 1.00 0.00 C ATOM 355 C ALA A 24 4.965 -1.168 12.004 1.00 0.00 C ATOM 356 O ALA A 24 4.580 -0.252 12.703 1.00 0.00 O ATOM 357 CB ALA A 24 6.123 -3.333 12.460 1.00 0.00 C ATOM 0 H ALA A 24 4.345 -3.771 10.676 1.00 0.00 H new ATOM 0 HA ALA A 24 4.311 -2.651 13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.781 -2.825 13.165 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.987 -4.368 12.773 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.569 -3.310 11.466 1.00 0.00 H new ATOM 363 N ALA A 25 5.576 -0.946 10.873 1.00 0.00 N ATOM 364 CA ALA A 25 5.816 0.454 10.416 1.00 0.00 C ATOM 365 C ALA A 25 4.594 0.984 9.660 1.00 0.00 C ATOM 366 O ALA A 25 4.376 2.177 9.582 1.00 0.00 O ATOM 367 CB ALA A 25 7.035 0.481 9.491 1.00 0.00 C ATOM 0 H ALA A 25 5.920 -1.672 10.245 1.00 0.00 H new ATOM 0 HA ALA A 25 5.994 1.086 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.214 1.502 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.910 0.118 10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.851 -0.158 8.628 1.00 0.00 H new ATOM 373 N PHE A 26 3.799 0.118 9.096 1.00 0.00 N ATOM 374 CA PHE A 26 2.604 0.594 8.342 1.00 0.00 C ATOM 375 C PHE A 26 1.501 1.002 9.321 1.00 0.00 C ATOM 376 O PHE A 26 0.876 2.033 9.173 1.00 0.00 O ATOM 377 CB PHE A 26 2.093 -0.524 7.431 1.00 0.00 C ATOM 378 CG PHE A 26 0.885 -0.044 6.658 1.00 0.00 C ATOM 379 CD1 PHE A 26 0.690 1.325 6.429 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.041 -0.973 6.168 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.431 1.762 5.713 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.161 -0.535 5.453 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.357 0.832 5.224 1.00 0.00 C ATOM 0 H PHE A 26 3.923 -0.894 9.124 1.00 0.00 H new ATOM 0 HA PHE A 26 2.883 1.456 7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.879 -0.831 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.831 -1.399 8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.404 2.043 6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.109 -2.028 6.342 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.582 2.817 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.875 -1.253 5.077 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.221 1.169 4.671 1.00 0.00 H new ATOM 393 N ASP A 27 1.254 0.201 10.321 1.00 0.00 N ATOM 394 CA ASP A 27 0.191 0.545 11.305 1.00 0.00 C ATOM 395 C ASP A 27 0.608 1.784 12.101 1.00 0.00 C ATOM 396 O ASP A 27 -0.108 2.763 12.164 1.00 0.00 O ATOM 397 CB ASP A 27 -0.016 -0.631 12.263 1.00 0.00 C ATOM 398 CG ASP A 27 -1.008 -0.231 13.356 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.513 0.878 13.294 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.246 -1.040 14.237 1.00 0.00 O ATOM 0 H ASP A 27 1.743 -0.677 10.499 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.739 0.752 10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.390 -1.497 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.935 -0.922 12.709 1.00 0.00 H new ATOM 405 N MET A 28 1.760 1.748 12.712 1.00 0.00 N ATOM 406 CA MET A 28 2.221 2.922 13.506 1.00 0.00 C ATOM 407 C MET A 28 1.968 4.210 12.721 1.00 0.00 C ATOM 408 O MET A 28 1.597 5.223 13.279 1.00 0.00 O ATOM 409 CB MET A 28 3.717 2.785 13.794 1.00 0.00 C ATOM 410 CG MET A 28 3.918 1.995 15.089 1.00 0.00 C ATOM 411 SD MET A 28 5.681 1.943 15.498 1.00 0.00 S ATOM 412 CE MET A 28 5.586 0.626 16.735 1.00 0.00 C ATOM 0 H MET A 28 2.403 0.956 12.696 1.00 0.00 H new ATOM 0 HA MET A 28 1.670 2.960 14.446 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.213 2.278 12.966 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.173 3.771 13.883 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.359 2.460 15.901 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.531 0.983 14.974 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.582 0.425 17.130 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.929 0.937 17.548 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.189 -0.278 16.274 1.00 0.00 H new ATOM 422 N PHE A 29 2.168 4.183 11.431 1.00 0.00 N ATOM 423 CA PHE A 29 1.939 5.411 10.618 1.00 0.00 C ATOM 424 C PHE A 29 0.485 5.450 10.142 1.00 0.00 C ATOM 425 O PHE A 29 0.204 5.726 8.992 1.00 0.00 O ATOM 426 CB PHE A 29 2.875 5.403 9.407 1.00 0.00 C ATOM 427 CG PHE A 29 4.181 6.059 9.782 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.984 5.497 10.781 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.589 7.231 9.133 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.196 6.107 11.131 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.800 7.840 9.482 1.00 0.00 C ATOM 432 CZ PHE A 29 6.603 7.277 10.481 1.00 0.00 C ATOM 0 H PHE A 29 2.479 3.366 10.906 1.00 0.00 H new ATOM 0 HA PHE A 29 2.142 6.291 11.228 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.051 4.380 9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.415 5.933 8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.670 4.593 11.282 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.969 7.665 8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.816 5.674 11.902 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.115 8.744 8.981 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.538 7.746 10.750 1.00 0.00 H new ATOM 442 N ASP A 30 -0.442 5.180 11.019 1.00 0.00 N ATOM 443 CA ASP A 30 -1.878 5.207 10.621 1.00 0.00 C ATOM 444 C ASP A 30 -2.407 6.637 10.737 1.00 0.00 C ATOM 445 O ASP A 30 -1.658 7.571 10.938 1.00 0.00 O ATOM 446 CB ASP A 30 -2.682 4.290 11.547 1.00 0.00 C ATOM 447 CG ASP A 30 -2.776 4.923 12.936 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.802 5.527 13.358 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.819 4.795 13.554 1.00 0.00 O ATOM 0 H ASP A 30 -0.267 4.942 11.995 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.978 4.861 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.681 4.130 11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.204 3.313 11.613 1.00 0.00 H new ATOM 454 N ALA A 31 -3.693 6.816 10.615 1.00 0.00 N ATOM 455 CA ALA A 31 -4.267 8.185 10.720 1.00 0.00 C ATOM 456 C ALA A 31 -5.632 8.114 11.404 1.00 0.00 C ATOM 457 O ALA A 31 -5.923 8.867 12.311 1.00 0.00 O ATOM 458 CB ALA A 31 -4.427 8.779 9.319 1.00 0.00 C ATOM 0 H ALA A 31 -4.371 6.073 10.447 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.600 8.816 11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.847 9.782 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.453 8.830 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.095 8.149 8.731 1.00 0.00 H new ATOM 464 N ASP A 32 -6.472 7.210 10.979 1.00 0.00 N ATOM 465 CA ASP A 32 -7.817 7.092 11.607 1.00 0.00 C ATOM 466 C ASP A 32 -7.989 5.685 12.182 1.00 0.00 C ATOM 467 O ASP A 32 -8.969 5.014 11.923 1.00 0.00 O ATOM 468 CB ASP A 32 -8.895 7.349 10.552 1.00 0.00 C ATOM 469 CG ASP A 32 -10.190 7.785 11.242 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.144 8.048 12.431 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.204 7.848 10.566 1.00 0.00 O ATOM 0 H ASP A 32 -6.285 6.549 10.225 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.911 7.825 12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.563 8.121 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.068 6.446 9.966 1.00 0.00 H new ATOM 476 N GLY A 33 -7.046 5.230 12.961 1.00 0.00 N ATOM 477 CA GLY A 33 -7.157 3.867 13.551 1.00 0.00 C ATOM 478 C GLY A 33 -7.567 2.871 12.465 1.00 0.00 C ATOM 479 O GLY A 33 -8.200 1.870 12.734 1.00 0.00 O ATOM 0 H GLY A 33 -6.203 5.745 13.214 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.204 3.571 13.990 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.892 3.867 14.356 1.00 0.00 H new ATOM 483 N GLY A 34 -7.211 3.138 11.238 1.00 0.00 N ATOM 484 CA GLY A 34 -7.582 2.205 10.136 1.00 0.00 C ATOM 485 C GLY A 34 -6.323 1.780 9.379 1.00 0.00 C ATOM 486 O GLY A 34 -6.258 0.706 8.816 1.00 0.00 O ATOM 0 H GLY A 34 -6.680 3.960 10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.088 1.329 10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.282 2.690 9.455 1.00 0.00 H new ATOM 490 N GLY A 35 -5.321 2.616 9.358 1.00 0.00 N ATOM 491 CA GLY A 35 -4.069 2.259 8.635 1.00 0.00 C ATOM 492 C GLY A 35 -4.069 2.922 7.257 1.00 0.00 C ATOM 493 O GLY A 35 -4.605 2.394 6.303 1.00 0.00 O ATOM 0 H GLY A 35 -5.316 3.530 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.200 2.585 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.993 1.177 8.530 1.00 0.00 H new ATOM 497 N ASP A 36 -3.473 4.078 7.145 1.00 0.00 N ATOM 498 CA ASP A 36 -3.439 4.774 5.828 1.00 0.00 C ATOM 499 C ASP A 36 -2.237 5.719 5.784 1.00 0.00 C ATOM 500 O ASP A 36 -1.478 5.817 6.728 1.00 0.00 O ATOM 501 CB ASP A 36 -4.729 5.576 5.642 1.00 0.00 C ATOM 502 CG ASP A 36 -4.711 6.798 6.564 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.114 6.707 7.624 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.295 7.803 6.193 1.00 0.00 O ATOM 0 H ASP A 36 -3.009 4.570 7.908 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.352 4.038 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.826 5.893 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.593 4.951 5.867 1.00 0.00 H new ATOM 509 N ILE A 37 -2.056 6.414 4.694 1.00 0.00 N ATOM 510 CA ILE A 37 -0.901 7.350 4.595 1.00 0.00 C ATOM 511 C ILE A 37 -1.049 8.216 3.344 1.00 0.00 C ATOM 512 O ILE A 37 -1.437 7.745 2.293 1.00 0.00 O ATOM 513 CB ILE A 37 0.403 6.551 4.501 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.143 5.228 3.776 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.935 6.266 5.907 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.466 4.486 3.570 1.00 0.00 C ATOM 0 H ILE A 37 -2.656 6.374 3.870 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.878 7.985 5.481 1.00 0.00 H new ATOM 0 HB ILE A 37 1.141 7.131 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.544 4.613 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.333 5.417 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.862 5.698 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.125 7.208 6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.197 5.689 6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.279 3.544 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.138 5.100 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.924 4.284 4.538 1.00 0.00 H new ATOM 528 N SER A 38 -0.730 9.476 3.444 1.00 0.00 N ATOM 529 CA SER A 38 -0.839 10.367 2.258 1.00 0.00 C ATOM 530 C SER A 38 0.456 10.273 1.454 1.00 0.00 C ATOM 531 O SER A 38 1.332 9.492 1.770 1.00 0.00 O ATOM 532 CB SER A 38 -1.053 11.809 2.717 1.00 0.00 C ATOM 533 OG SER A 38 -2.394 11.968 3.159 1.00 0.00 O ATOM 0 H SER A 38 -0.398 9.927 4.297 1.00 0.00 H new ATOM 0 HA SER A 38 -1.684 10.061 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.361 12.052 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.844 12.498 1.899 1.00 0.00 H new ATOM 0 HG SER A 38 -2.533 12.892 3.456 1.00 0.00 H new ATOM 539 N THR A 39 0.596 11.059 0.424 1.00 0.00 N ATOM 540 CA THR A 39 1.849 10.997 -0.377 1.00 0.00 C ATOM 541 C THR A 39 2.980 11.668 0.404 1.00 0.00 C ATOM 542 O THR A 39 4.132 11.605 0.023 1.00 0.00 O ATOM 543 CB THR A 39 1.647 11.711 -1.714 1.00 0.00 C ATOM 544 OG1 THR A 39 1.894 13.100 -1.551 1.00 0.00 O ATOM 545 CG2 THR A 39 0.212 11.497 -2.198 1.00 0.00 C ATOM 0 H THR A 39 -0.096 11.736 0.104 1.00 0.00 H new ATOM 0 HA THR A 39 2.107 9.955 -0.569 1.00 0.00 H new ATOM 0 HB THR A 39 2.340 11.304 -2.451 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.406 13.433 -2.317 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.070 12.007 -3.151 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.026 10.431 -2.325 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.484 11.901 -1.463 1.00 0.00 H new ATOM 553 N LYS A 40 2.664 12.300 1.503 1.00 0.00 N ATOM 554 CA LYS A 40 3.725 12.960 2.314 1.00 0.00 C ATOM 555 C LYS A 40 4.436 11.897 3.151 1.00 0.00 C ATOM 556 O LYS A 40 5.626 11.691 3.030 1.00 0.00 O ATOM 557 CB LYS A 40 3.096 14.005 3.239 1.00 0.00 C ATOM 558 CG LYS A 40 4.171 14.574 4.167 1.00 0.00 C ATOM 559 CD LYS A 40 3.508 15.321 5.327 1.00 0.00 C ATOM 560 CE LYS A 40 4.579 16.039 6.149 1.00 0.00 C ATOM 561 NZ LYS A 40 4.003 16.463 7.456 1.00 0.00 N ATOM 0 H LYS A 40 1.717 12.387 1.873 1.00 0.00 H new ATOM 0 HA LYS A 40 4.439 13.455 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.647 14.805 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.296 13.553 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.797 13.769 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.824 15.249 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.785 16.041 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.959 14.622 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.431 15.378 6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.949 16.907 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.732 16.951 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.204 17.108 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.671 15.626 7.977 1.00 0.00 H new ATOM 575 N GLU A 41 3.709 11.208 3.989 1.00 0.00 N ATOM 576 CA GLU A 41 4.339 10.145 4.820 1.00 0.00 C ATOM 577 C GLU A 41 4.630 8.938 3.927 1.00 0.00 C ATOM 578 O GLU A 41 5.477 8.118 4.221 1.00 0.00 O ATOM 579 CB GLU A 41 3.382 9.734 5.942 1.00 0.00 C ATOM 580 CG GLU A 41 3.481 10.735 7.093 1.00 0.00 C ATOM 581 CD GLU A 41 2.275 10.568 8.019 1.00 0.00 C ATOM 582 OE1 GLU A 41 1.826 9.444 8.178 1.00 0.00 O ATOM 583 OE2 GLU A 41 1.821 11.565 8.554 1.00 0.00 O ATOM 0 H GLU A 41 2.707 11.336 4.133 1.00 0.00 H new ATOM 0 HA GLU A 41 5.264 10.516 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.360 9.697 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.628 8.733 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.405 10.576 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.515 11.752 6.703 1.00 0.00 H new ATOM 590 N LEU A 42 3.929 8.833 2.832 1.00 0.00 N ATOM 591 CA LEU A 42 4.150 7.696 1.899 1.00 0.00 C ATOM 592 C LEU A 42 5.388 7.987 1.047 1.00 0.00 C ATOM 593 O LEU A 42 6.164 7.107 0.732 1.00 0.00 O ATOM 594 CB LEU A 42 2.919 7.547 0.995 1.00 0.00 C ATOM 595 CG LEU A 42 3.169 6.497 -0.095 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.017 7.107 -1.214 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.894 5.285 0.499 1.00 0.00 C ATOM 0 H LEU A 42 3.207 9.493 2.543 1.00 0.00 H new ATOM 0 HA LEU A 42 4.303 6.772 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.055 7.258 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.682 8.506 0.535 1.00 0.00 H new ATOM 0 HG LEU A 42 2.211 6.173 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.193 6.358 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.491 7.958 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.972 7.439 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.067 4.545 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.850 5.602 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.282 4.845 1.286 1.00 0.00 H new ATOM 609 N GLY A 43 5.577 9.221 0.677 1.00 0.00 N ATOM 610 CA GLY A 43 6.761 9.578 -0.151 1.00 0.00 C ATOM 611 C GLY A 43 7.952 9.872 0.763 1.00 0.00 C ATOM 612 O GLY A 43 9.085 9.892 0.331 1.00 0.00 O ATOM 0 H GLY A 43 4.962 10.000 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.003 8.761 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.538 10.449 -0.767 1.00 0.00 H new ATOM 616 N THR A 44 7.703 10.097 2.025 1.00 0.00 N ATOM 617 CA THR A 44 8.823 10.386 2.964 1.00 0.00 C ATOM 618 C THR A 44 9.337 9.076 3.560 1.00 0.00 C ATOM 619 O THR A 44 10.517 8.914 3.802 1.00 0.00 O ATOM 620 CB THR A 44 8.329 11.297 4.090 1.00 0.00 C ATOM 621 OG1 THR A 44 8.091 12.599 3.573 1.00 0.00 O ATOM 622 CG2 THR A 44 9.385 11.369 5.193 1.00 0.00 C ATOM 0 H THR A 44 6.774 10.093 2.445 1.00 0.00 H new ATOM 0 HA THR A 44 9.628 10.883 2.423 1.00 0.00 H new ATOM 0 HB THR A 44 7.404 10.895 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.172 12.655 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.031 12.018 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.566 10.370 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.312 11.770 4.784 1.00 0.00 H new ATOM 630 N VAL A 45 8.463 8.136 3.796 1.00 0.00 N ATOM 631 CA VAL A 45 8.907 6.837 4.372 1.00 0.00 C ATOM 632 C VAL A 45 9.987 6.233 3.472 1.00 0.00 C ATOM 633 O VAL A 45 10.986 5.722 3.940 1.00 0.00 O ATOM 634 CB VAL A 45 7.716 5.879 4.452 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.095 5.721 3.064 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.193 4.516 4.957 1.00 0.00 C ATOM 0 H VAL A 45 7.462 8.212 3.615 1.00 0.00 H new ATOM 0 HA VAL A 45 9.309 6.998 5.372 1.00 0.00 H new ATOM 0 HB VAL A 45 6.971 6.281 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.247 5.039 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.756 6.693 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.839 5.319 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.346 3.832 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.938 4.114 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.636 4.629 5.947 1.00 0.00 H new ATOM 646 N MET A 46 9.796 6.293 2.182 1.00 0.00 N ATOM 647 CA MET A 46 10.811 5.729 1.250 1.00 0.00 C ATOM 648 C MET A 46 11.832 6.814 0.899 1.00 0.00 C ATOM 649 O MET A 46 13.013 6.557 0.784 1.00 0.00 O ATOM 650 CB MET A 46 10.119 5.244 -0.024 1.00 0.00 C ATOM 651 CG MET A 46 9.785 3.757 0.110 1.00 0.00 C ATOM 652 SD MET A 46 8.007 3.562 0.388 1.00 0.00 S ATOM 653 CE MET A 46 7.455 4.293 -1.172 1.00 0.00 C ATOM 0 H MET A 46 8.980 6.709 1.734 1.00 0.00 H new ATOM 0 HA MET A 46 11.320 4.890 1.725 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.209 5.818 -0.197 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.766 5.406 -0.886 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.084 3.223 -0.792 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.344 3.321 0.938 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.604 3.731 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.160 5.329 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.268 4.261 -1.897 1.00 0.00 H new ATOM 663 N ARG A 47 11.382 8.029 0.732 1.00 0.00 N ATOM 664 CA ARG A 47 12.324 9.134 0.393 1.00 0.00 C ATOM 665 C ARG A 47 13.002 9.633 1.671 1.00 0.00 C ATOM 666 O ARG A 47 13.728 10.607 1.660 1.00 0.00 O ATOM 667 CB ARG A 47 11.545 10.283 -0.254 1.00 0.00 C ATOM 668 CG ARG A 47 12.506 11.184 -1.032 1.00 0.00 C ATOM 669 CD ARG A 47 12.934 12.356 -0.147 1.00 0.00 C ATOM 670 NE ARG A 47 12.574 13.638 -0.813 1.00 0.00 N ATOM 671 CZ ARG A 47 11.889 14.540 -0.164 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.924 14.177 0.635 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.171 15.806 -0.314 1.00 0.00 N ATOM 0 H ARG A 47 10.403 8.304 0.816 1.00 0.00 H new ATOM 0 HA ARG A 47 13.081 8.770 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.781 9.886 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.028 10.862 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.380 10.615 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.023 11.554 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.445 12.289 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.008 12.316 0.033 1.00 0.00 H new ATOM 0 HE ARG A 47 12.862 13.811 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.704 13.188 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.389 14.882 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.926 16.090 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.636 16.511 0.193 1.00 0.00 H new ATOM 687 N MET A 48 12.771 8.972 2.774 1.00 0.00 N ATOM 688 CA MET A 48 13.402 9.408 4.049 1.00 0.00 C ATOM 689 C MET A 48 14.897 9.637 3.821 1.00 0.00 C ATOM 690 O MET A 48 15.535 10.391 4.529 1.00 0.00 O ATOM 691 CB MET A 48 13.205 8.326 5.114 1.00 0.00 C ATOM 692 CG MET A 48 12.224 8.827 6.175 1.00 0.00 C ATOM 693 SD MET A 48 13.013 8.775 7.803 1.00 0.00 S ATOM 694 CE MET A 48 12.556 7.076 8.224 1.00 0.00 C ATOM 0 H MET A 48 12.172 8.149 2.845 1.00 0.00 H new ATOM 0 HA MET A 48 12.939 10.335 4.387 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.825 7.413 4.655 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.160 8.077 5.576 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.911 9.845 5.944 1.00 0.00 H new ATOM 0 HG3 MET A 48 11.326 8.210 6.175 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.949 6.827 9.210 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.470 6.983 8.232 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.974 6.393 7.484 1.00 0.00 H new ATOM 704 N LEU A 49 15.459 8.994 2.834 1.00 0.00 N ATOM 705 CA LEU A 49 16.911 9.177 2.558 1.00 0.00 C ATOM 706 C LEU A 49 17.102 10.402 1.662 1.00 0.00 C ATOM 707 O LEU A 49 17.753 11.359 2.033 1.00 0.00 O ATOM 708 CB LEU A 49 17.459 7.936 1.850 1.00 0.00 C ATOM 709 CG LEU A 49 16.778 6.685 2.407 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.910 6.048 1.319 1.00 0.00 C ATOM 711 CD2 LEU A 49 17.844 5.683 2.857 1.00 0.00 C ATOM 0 H LEU A 49 14.975 8.350 2.208 1.00 0.00 H new ATOM 0 HA LEU A 49 17.446 9.322 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.284 8.010 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.537 7.870 1.993 1.00 0.00 H new ATOM 0 HG LEU A 49 16.153 6.960 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.425 5.156 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.151 6.760 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.535 5.773 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.360 4.791 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.468 5.409 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 49 18.464 6.135 3.631 1.00 0.00 H new ATOM 723 N GLY A 50 16.540 10.380 0.484 1.00 0.00 N ATOM 724 CA GLY A 50 16.689 11.544 -0.436 1.00 0.00 C ATOM 725 C GLY A 50 16.812 11.038 -1.871 1.00 0.00 C ATOM 726 O GLY A 50 17.784 11.301 -2.552 1.00 0.00 O ATOM 0 H GLY A 50 15.984 9.607 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.829 12.208 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.571 12.125 -0.166 1.00 0.00 H new ATOM 730 N GLN A 51 15.836 10.307 -2.338 1.00 0.00 N ATOM 731 CA GLN A 51 15.903 9.777 -3.725 1.00 0.00 C ATOM 732 C GLN A 51 14.908 10.532 -4.621 1.00 0.00 C ATOM 733 O GLN A 51 14.833 11.744 -4.591 1.00 0.00 O ATOM 734 CB GLN A 51 15.573 8.283 -3.699 1.00 0.00 C ATOM 735 CG GLN A 51 16.190 7.600 -4.919 1.00 0.00 C ATOM 736 CD GLN A 51 17.673 7.326 -4.657 1.00 0.00 C ATOM 737 OE1 GLN A 51 18.014 6.537 -3.798 1.00 0.00 O ATOM 738 NE2 GLN A 51 18.573 7.949 -5.366 1.00 0.00 N ATOM 0 H GLN A 51 14.996 10.055 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 51 16.905 9.919 -4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 51 15.957 7.831 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.493 8.139 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.668 6.666 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.076 8.233 -5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.286 8.611 -6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.564 7.774 -5.200 1.00 0.00 H new ATOM 747 N ASN A 52 14.158 9.830 -5.430 1.00 0.00 N ATOM 748 CA ASN A 52 13.187 10.501 -6.341 1.00 0.00 C ATOM 749 C ASN A 52 11.741 10.547 -5.794 1.00 0.00 C ATOM 750 O ASN A 52 10.941 11.292 -6.326 1.00 0.00 O ATOM 751 CB ASN A 52 13.186 9.778 -7.687 1.00 0.00 C ATOM 752 CG ASN A 52 13.404 10.793 -8.811 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.865 11.891 -8.573 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.088 10.471 -10.036 1.00 0.00 N ATOM 0 H ASN A 52 14.178 8.812 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 52 13.516 11.536 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.972 9.023 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.240 9.257 -7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.228 11.141 -10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.701 9.549 -10.237 1.00 0.00 H new ATOM 761 N PRO A 53 11.401 9.756 -4.799 1.00 0.00 N ATOM 762 CA PRO A 53 10.021 9.741 -4.285 1.00 0.00 C ATOM 763 C PRO A 53 9.686 11.026 -3.520 1.00 0.00 C ATOM 764 O PRO A 53 10.008 11.181 -2.360 1.00 0.00 O ATOM 765 CB PRO A 53 9.983 8.513 -3.379 1.00 0.00 C ATOM 766 CG PRO A 53 11.442 8.207 -2.991 1.00 0.00 C ATOM 767 CD PRO A 53 12.317 8.846 -4.077 1.00 0.00 C ATOM 0 HA PRO A 53 9.278 9.694 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.378 8.704 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.533 7.665 -3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.678 8.618 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.613 7.132 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.156 9.389 -3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.736 8.093 -4.744 1.00 0.00 H new ATOM 775 N THR A 54 9.021 11.941 -4.173 1.00 0.00 N ATOM 776 CA THR A 54 8.631 13.220 -3.512 1.00 0.00 C ATOM 777 C THR A 54 7.177 13.143 -3.125 1.00 0.00 C ATOM 778 O THR A 54 6.626 12.080 -2.921 1.00 0.00 O ATOM 779 CB THR A 54 8.808 14.394 -4.481 1.00 0.00 C ATOM 780 OG1 THR A 54 7.577 14.672 -5.137 1.00 0.00 O ATOM 781 CG2 THR A 54 9.839 14.031 -5.523 1.00 0.00 C ATOM 0 H THR A 54 8.728 11.856 -5.146 1.00 0.00 H new ATOM 0 HA THR A 54 9.261 13.373 -2.636 1.00 0.00 H new ATOM 0 HB THR A 54 9.131 15.271 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.388 15.632 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.967 14.864 -6.214 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.789 13.815 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.506 13.151 -6.074 1.00 0.00 H new ATOM 789 N LYS A 55 6.544 14.264 -3.028 1.00 0.00 N ATOM 790 CA LYS A 55 5.129 14.253 -2.662 1.00 0.00 C ATOM 791 C LYS A 55 4.272 14.189 -3.920 1.00 0.00 C ATOM 792 O LYS A 55 3.290 13.476 -3.983 1.00 0.00 O ATOM 793 CB LYS A 55 4.814 15.514 -1.861 1.00 0.00 C ATOM 794 CG LYS A 55 4.443 16.680 -2.790 1.00 0.00 C ATOM 795 CD LYS A 55 3.960 17.866 -1.953 1.00 0.00 C ATOM 796 CE LYS A 55 2.452 17.745 -1.717 1.00 0.00 C ATOM 797 NZ LYS A 55 1.719 18.448 -2.808 1.00 0.00 N ATOM 0 H LYS A 55 6.951 15.186 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 55 4.908 13.377 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.991 15.316 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.677 15.788 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.306 16.971 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.663 16.371 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.487 17.890 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.185 18.802 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.161 16.695 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.189 18.176 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.695 18.366 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.988 19.452 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.962 18.017 -3.723 1.00 0.00 H new ATOM 811 N GLU A 56 4.629 14.942 -4.918 1.00 0.00 N ATOM 812 CA GLU A 56 3.823 14.932 -6.158 1.00 0.00 C ATOM 813 C GLU A 56 4.135 13.666 -6.958 1.00 0.00 C ATOM 814 O GLU A 56 3.287 13.123 -7.638 1.00 0.00 O ATOM 815 CB GLU A 56 4.153 16.166 -7.001 1.00 0.00 C ATOM 816 CG GLU A 56 5.653 16.199 -7.301 1.00 0.00 C ATOM 817 CD GLU A 56 5.881 15.927 -8.788 1.00 0.00 C ATOM 818 OE1 GLU A 56 5.275 15.002 -9.302 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.659 16.649 -9.390 1.00 0.00 O ATOM 0 H GLU A 56 5.440 15.560 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 56 2.764 14.948 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.586 16.145 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.859 17.071 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.068 17.170 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.172 15.452 -6.700 1.00 0.00 H new ATOM 826 N GLU A 57 5.347 13.188 -6.877 1.00 0.00 N ATOM 827 CA GLU A 57 5.714 11.957 -7.628 1.00 0.00 C ATOM 828 C GLU A 57 4.962 10.764 -7.035 1.00 0.00 C ATOM 829 O GLU A 57 4.617 9.827 -7.727 1.00 0.00 O ATOM 830 CB GLU A 57 7.222 11.723 -7.514 1.00 0.00 C ATOM 831 CG GLU A 57 7.588 10.399 -8.187 1.00 0.00 C ATOM 832 CD GLU A 57 8.049 10.666 -9.621 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.195 10.805 -10.481 1.00 0.00 O ATOM 834 OE2 GLU A 57 9.248 10.725 -9.835 1.00 0.00 O ATOM 0 H GLU A 57 6.098 13.598 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 57 5.445 12.072 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.764 12.544 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.519 11.704 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.379 9.900 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.728 9.730 -8.189 1.00 0.00 H new ATOM 841 N LEU A 58 4.702 10.795 -5.757 1.00 0.00 N ATOM 842 CA LEU A 58 3.968 9.668 -5.117 1.00 0.00 C ATOM 843 C LEU A 58 2.479 9.779 -5.453 1.00 0.00 C ATOM 844 O LEU A 58 1.707 8.878 -5.195 1.00 0.00 O ATOM 845 CB LEU A 58 4.155 9.736 -3.599 1.00 0.00 C ATOM 846 CG LEU A 58 5.400 8.941 -3.199 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.290 7.513 -3.733 1.00 0.00 C ATOM 848 CD2 LEU A 58 6.643 9.611 -3.789 1.00 0.00 C ATOM 0 H LEU A 58 4.967 11.553 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 58 4.357 8.720 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.256 10.774 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.276 9.333 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 58 5.480 8.916 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.177 6.948 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.405 7.035 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.209 7.536 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.531 9.046 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.561 9.636 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.724 10.629 -3.407 1.00 0.00 H new ATOM 860 N ASP A 59 2.071 10.878 -6.027 1.00 0.00 N ATOM 861 CA ASP A 59 0.633 11.046 -6.378 1.00 0.00 C ATOM 862 C ASP A 59 0.282 10.114 -7.539 1.00 0.00 C ATOM 863 O ASP A 59 -0.822 9.616 -7.637 1.00 0.00 O ATOM 864 CB ASP A 59 0.376 12.496 -6.790 1.00 0.00 C ATOM 865 CG ASP A 59 -0.837 13.036 -6.029 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.839 12.943 -4.812 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.744 13.534 -6.677 1.00 0.00 O ATOM 0 H ASP A 59 2.672 11.666 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 59 0.015 10.800 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.253 13.107 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.200 12.554 -7.864 1.00 0.00 H new ATOM 872 N ALA A 60 1.214 9.872 -8.419 1.00 0.00 N ATOM 873 CA ALA A 60 0.935 8.972 -9.574 1.00 0.00 C ATOM 874 C ALA A 60 0.492 7.601 -9.056 1.00 0.00 C ATOM 875 O ALA A 60 -0.539 7.087 -9.440 1.00 0.00 O ATOM 876 CB ALA A 60 2.201 8.818 -10.418 1.00 0.00 C ATOM 0 H ALA A 60 2.157 10.259 -8.388 1.00 0.00 H new ATOM 0 HA ALA A 60 0.142 9.401 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.997 8.160 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.514 9.795 -10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.995 8.389 -9.807 1.00 0.00 H new ATOM 882 N ILE A 61 1.261 7.007 -8.182 1.00 0.00 N ATOM 883 CA ILE A 61 0.876 5.671 -7.639 1.00 0.00 C ATOM 884 C ILE A 61 -0.408 5.813 -6.827 1.00 0.00 C ATOM 885 O ILE A 61 -1.313 5.009 -6.927 1.00 0.00 O ATOM 886 CB ILE A 61 1.981 5.139 -6.725 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.343 5.590 -7.241 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.938 3.615 -6.694 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.906 6.638 -6.288 1.00 0.00 C ATOM 0 H ILE A 61 2.136 7.387 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 61 0.726 4.979 -8.467 1.00 0.00 H new ATOM 0 HB ILE A 61 1.824 5.530 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.021 4.739 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.248 6.004 -8.245 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.727 3.242 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.970 3.286 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.086 3.226 -7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.881 6.969 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.228 7.490 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.013 6.205 -5.293 1.00 0.00 H new ATOM 901 N ILE A 62 -0.489 6.831 -6.016 1.00 0.00 N ATOM 902 CA ILE A 62 -1.709 7.026 -5.189 1.00 0.00 C ATOM 903 C ILE A 62 -2.933 7.121 -6.105 1.00 0.00 C ATOM 904 O ILE A 62 -4.059 6.993 -5.668 1.00 0.00 O ATOM 905 CB ILE A 62 -1.572 8.316 -4.372 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.589 8.088 -3.221 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.936 8.712 -3.803 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.235 7.186 -2.167 1.00 0.00 C ATOM 0 H ILE A 62 0.238 7.536 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.830 6.182 -4.510 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.203 9.114 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.326 7.629 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.308 9.042 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.836 9.629 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.638 8.875 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.307 7.914 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.534 7.024 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.137 7.663 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.494 6.228 -2.617 1.00 0.00 H new ATOM 920 N GLU A 63 -2.720 7.351 -7.373 1.00 0.00 N ATOM 921 CA GLU A 63 -3.870 7.459 -8.318 1.00 0.00 C ATOM 922 C GLU A 63 -4.303 6.062 -8.767 1.00 0.00 C ATOM 923 O GLU A 63 -5.475 5.792 -8.942 1.00 0.00 O ATOM 924 CB GLU A 63 -3.445 8.275 -9.541 1.00 0.00 C ATOM 925 CG GLU A 63 -4.677 8.621 -10.380 1.00 0.00 C ATOM 926 CD GLU A 63 -4.266 9.525 -11.543 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.137 9.406 -11.991 1.00 0.00 O ATOM 928 OE2 GLU A 63 -5.088 10.320 -11.969 1.00 0.00 O ATOM 0 H GLU A 63 -1.799 7.469 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.704 7.952 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.940 9.188 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.732 7.708 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.139 7.710 -10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.422 9.122 -9.762 1.00 0.00 H new ATOM 935 N GLU A 64 -3.369 5.171 -8.961 1.00 0.00 N ATOM 936 CA GLU A 64 -3.732 3.794 -9.405 1.00 0.00 C ATOM 937 C GLU A 64 -3.970 2.905 -8.183 1.00 0.00 C ATOM 938 O GLU A 64 -3.845 1.699 -8.251 1.00 0.00 O ATOM 939 CB GLU A 64 -2.592 3.212 -10.239 1.00 0.00 C ATOM 940 CG GLU A 64 -1.401 2.907 -9.327 1.00 0.00 C ATOM 941 CD GLU A 64 -0.109 3.368 -10.003 1.00 0.00 C ATOM 942 OE1 GLU A 64 -0.160 4.350 -10.725 1.00 0.00 O ATOM 943 OE2 GLU A 64 0.910 2.733 -9.787 1.00 0.00 O ATOM 0 H GLU A 64 -2.371 5.336 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.641 3.836 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.922 2.303 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.298 3.917 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.524 3.413 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.353 1.838 -9.119 1.00 0.00 H new ATOM 950 N VAL A 65 -4.311 3.486 -7.066 1.00 0.00 N ATOM 951 CA VAL A 65 -4.552 2.664 -5.846 1.00 0.00 C ATOM 952 C VAL A 65 -5.616 3.339 -4.978 1.00 0.00 C ATOM 953 O VAL A 65 -6.573 2.718 -4.559 1.00 0.00 O ATOM 954 CB VAL A 65 -3.251 2.535 -5.051 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.305 1.571 -5.770 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.585 3.908 -4.933 1.00 0.00 C ATOM 0 H VAL A 65 -4.433 4.491 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.898 1.673 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.473 2.151 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.379 1.480 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.777 0.592 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.084 1.953 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.658 3.815 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.365 4.292 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.257 4.595 -4.419 1.00 0.00 H new ATOM 966 N ASP A 66 -5.455 4.604 -4.702 1.00 0.00 N ATOM 967 CA ASP A 66 -6.455 5.316 -3.859 1.00 0.00 C ATOM 968 C ASP A 66 -7.654 5.723 -4.719 1.00 0.00 C ATOM 969 O ASP A 66 -7.726 6.828 -5.216 1.00 0.00 O ATOM 970 CB ASP A 66 -5.813 6.567 -3.256 1.00 0.00 C ATOM 971 CG ASP A 66 -6.615 7.016 -2.035 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.788 6.211 -1.135 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.042 8.160 -2.019 1.00 0.00 O ATOM 0 H ASP A 66 -4.674 5.175 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.791 4.656 -3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.782 6.357 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.782 7.366 -3.997 1.00 0.00 H new ATOM 978 N GLU A 67 -8.596 4.837 -4.898 1.00 0.00 N ATOM 979 CA GLU A 67 -9.788 5.177 -5.725 1.00 0.00 C ATOM 980 C GLU A 67 -10.651 6.198 -4.981 1.00 0.00 C ATOM 981 O GLU A 67 -11.377 6.965 -5.581 1.00 0.00 O ATOM 982 CB GLU A 67 -10.607 3.912 -5.987 1.00 0.00 C ATOM 983 CG GLU A 67 -11.908 4.287 -6.702 1.00 0.00 C ATOM 984 CD GLU A 67 -12.463 3.062 -7.430 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.781 2.559 -8.308 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.561 2.646 -7.098 1.00 0.00 O ATOM 0 H GLU A 67 -8.592 3.894 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.461 5.600 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.033 3.214 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.828 3.408 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.638 4.656 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.725 5.093 -7.412 1.00 0.00 H new ATOM 993 N ASP A 68 -10.578 6.213 -3.678 1.00 0.00 N ATOM 994 CA ASP A 68 -11.396 7.184 -2.899 1.00 0.00 C ATOM 995 C ASP A 68 -11.184 8.592 -3.460 1.00 0.00 C ATOM 996 O ASP A 68 -12.109 9.235 -3.916 1.00 0.00 O ATOM 997 CB ASP A 68 -10.969 7.151 -1.430 1.00 0.00 C ATOM 998 CG ASP A 68 -12.147 7.564 -0.546 1.00 0.00 C ATOM 999 OD1 ASP A 68 -12.823 8.515 -0.902 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -12.354 6.922 0.470 1.00 0.00 O ATOM 0 H ASP A 68 -9.988 5.596 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.450 6.915 -2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.632 6.150 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.127 7.824 -1.270 1.00 0.00 H new ATOM 1005 N GLY A 69 -9.972 9.076 -3.432 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.703 10.442 -3.964 1.00 0.00 C ATOM 1007 C GLY A 69 -9.166 11.331 -2.842 1.00 0.00 C ATOM 1008 O GLY A 69 -9.335 12.535 -2.857 1.00 0.00 O ATOM 0 H GLY A 69 -9.157 8.585 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.981 10.391 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.617 10.870 -4.375 1.00 0.00 H new ATOM 1012 N SER A 70 -8.521 10.750 -1.869 1.00 0.00 N ATOM 1013 CA SER A 70 -7.975 11.564 -0.747 1.00 0.00 C ATOM 1014 C SER A 70 -6.447 11.579 -0.821 1.00 0.00 C ATOM 1015 O SER A 70 -5.780 12.141 0.026 1.00 0.00 O ATOM 1016 CB SER A 70 -8.415 10.957 0.586 1.00 0.00 C ATOM 1017 OG SER A 70 -8.582 9.554 0.429 1.00 0.00 O ATOM 0 H SER A 70 -8.348 9.747 -1.802 1.00 0.00 H new ATOM 0 HA SER A 70 -8.352 12.584 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.671 11.163 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.349 11.412 0.916 1.00 0.00 H new ATOM 0 HG SER A 70 -8.862 9.161 1.282 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.883 10.967 -1.827 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.398 10.950 -1.950 1.00 0.00 C ATOM 1025 C GLY A 71 -3.798 10.124 -0.811 1.00 0.00 C ATOM 1026 O GLY A 71 -2.812 10.502 -0.210 1.00 0.00 O ATOM 0 H GLY A 71 -6.386 10.479 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.108 10.527 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.009 11.968 -1.919 1.00 0.00 H new ATOM 1030 N THR A 72 -4.383 8.997 -0.510 1.00 0.00 N ATOM 1031 CA THR A 72 -3.843 8.147 0.592 1.00 0.00 C ATOM 1032 C THR A 72 -4.074 6.674 0.249 1.00 0.00 C ATOM 1033 O THR A 72 -4.405 6.332 -0.869 1.00 0.00 O ATOM 1034 CB THR A 72 -4.543 8.485 1.922 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.360 7.394 2.323 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.414 9.736 1.764 1.00 0.00 C ATOM 0 H THR A 72 -5.210 8.627 -0.978 1.00 0.00 H new ATOM 0 HA THR A 72 -2.776 8.339 0.701 1.00 0.00 H new ATOM 0 HB THR A 72 -3.781 8.674 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.803 7.611 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.902 9.962 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.790 10.579 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.171 9.558 1.000 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.907 5.799 1.201 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.121 4.350 0.923 1.00 0.00 C ATOM 1046 C ILE A 73 -4.528 3.639 2.216 1.00 0.00 C ATOM 1047 O ILE A 73 -4.666 4.252 3.255 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.830 3.729 0.382 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.017 4.794 -0.359 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -3.177 2.595 -0.583 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.702 4.184 -0.850 1.00 0.00 C ATOM 0 H ILE A 73 -3.632 6.023 2.157 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.911 4.238 0.180 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.243 3.337 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.588 5.181 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.815 5.637 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.259 2.152 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.754 1.834 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.766 2.989 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.124 4.943 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.130 3.819 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.915 3.355 -1.525 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.726 2.351 2.159 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.129 1.607 3.387 1.00 0.00 C ATOM 1065 C ASP A 74 -4.790 0.124 3.224 1.00 0.00 C ATOM 1066 O ASP A 74 -4.441 -0.331 2.153 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.635 1.766 3.602 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.027 1.162 4.952 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.290 -0.028 4.992 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.057 1.901 5.922 1.00 0.00 O ATOM 0 H ASP A 74 -4.627 1.782 1.318 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.592 2.006 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.908 2.821 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.181 1.272 2.799 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.892 -0.635 4.282 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.579 -2.090 4.194 1.00 0.00 C ATOM 1077 C PHE A 75 -5.429 -2.736 3.096 1.00 0.00 C ATOM 1078 O PHE A 75 -5.139 -3.820 2.631 1.00 0.00 O ATOM 1079 CB PHE A 75 -4.893 -2.758 5.534 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.624 -2.901 6.341 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -3.210 -1.864 7.186 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -2.863 -4.072 6.246 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -2.035 -1.998 7.935 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -1.689 -4.207 6.995 1.00 0.00 C ATOM 1085 CZ PHE A 75 -1.275 -3.170 7.840 1.00 0.00 C ATOM 0 H PHE A 75 -5.179 -0.309 5.205 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.523 -2.218 3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.621 -2.164 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.342 -3.737 5.367 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.797 -0.961 7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.182 -4.872 5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.715 -1.198 8.586 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.102 -5.111 6.921 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.369 -3.274 8.419 1.00 0.00 H new ATOM 1095 N GLU A 76 -6.481 -2.083 2.682 1.00 0.00 N ATOM 1096 CA GLU A 76 -7.352 -2.667 1.621 1.00 0.00 C ATOM 1097 C GLU A 76 -6.671 -2.537 0.256 1.00 0.00 C ATOM 1098 O GLU A 76 -6.406 -3.519 -0.409 1.00 0.00 O ATOM 1099 CB GLU A 76 -8.690 -1.924 1.593 1.00 0.00 C ATOM 1100 CG GLU A 76 -9.709 -2.737 0.791 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.284 -3.849 1.671 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.703 -4.115 2.710 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -11.295 -4.416 1.290 1.00 0.00 O ATOM 0 H GLU A 76 -6.775 -1.171 3.032 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.521 -3.721 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.052 -1.768 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.562 -0.939 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.510 -2.088 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.234 -3.166 -0.091 1.00 0.00 H new ATOM 1110 N GLU A 77 -6.392 -1.336 -0.171 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.737 -1.151 -1.499 1.00 0.00 C ATOM 1112 C GLU A 77 -4.221 -1.316 -1.359 1.00 0.00 C ATOM 1113 O GLU A 77 -3.602 -2.079 -2.072 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.046 0.249 -2.031 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.224 0.178 -3.005 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.099 1.422 -2.839 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.757 2.258 -2.018 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.096 1.519 -3.535 1.00 0.00 O ATOM 0 H GLU A 77 -6.588 -0.476 0.340 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.119 -1.900 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.284 0.919 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.170 0.660 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.859 0.111 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.812 -0.721 -2.817 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.620 -0.595 -0.451 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.143 -0.694 -0.265 1.00 0.00 C ATOM 1127 C PHE A 78 -1.695 -2.155 -0.362 1.00 0.00 C ATOM 1128 O PHE A 78 -0.611 -2.450 -0.826 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.770 -0.143 1.113 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.291 0.156 1.151 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.307 0.867 0.104 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.482 -0.277 2.234 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.678 1.145 0.141 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.853 0.001 2.271 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.451 0.713 1.224 1.00 0.00 C ATOM 0 H PHE A 78 -4.090 0.061 0.173 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.647 -0.116 -1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.340 0.762 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.026 -0.866 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.290 1.201 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.020 -0.826 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.140 1.693 -0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.450 -0.333 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.509 0.929 1.253 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.512 -3.072 0.076 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.120 -4.508 0.011 1.00 0.00 C ATOM 1147 C LEU A 79 -2.131 -4.984 -1.443 1.00 0.00 C ATOM 1148 O LEU A 79 -1.187 -5.590 -1.913 1.00 0.00 O ATOM 1149 CB LEU A 79 -3.105 -5.346 0.829 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.401 -5.888 2.074 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.950 -4.721 2.955 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -3.370 -6.775 2.860 1.00 0.00 C ATOM 0 H LEU A 79 -3.433 -2.890 0.476 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.116 -4.623 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.963 -4.739 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.486 -6.170 0.226 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.532 -6.473 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.448 -5.108 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.261 -4.088 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.819 -4.135 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.870 -7.162 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.239 -6.189 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.692 -7.607 2.233 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.189 -4.724 -2.160 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.254 -5.172 -3.580 1.00 0.00 C ATOM 1166 C VAL A 80 -2.107 -4.538 -4.373 1.00 0.00 C ATOM 1167 O VAL A 80 -1.660 -5.074 -5.367 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.594 -4.755 -4.191 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.666 -3.230 -4.301 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.729 -5.371 -5.585 1.00 0.00 C ATOM 0 H VAL A 80 -4.011 -4.221 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.163 -6.257 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.404 -5.107 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.623 -2.941 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.571 -2.789 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.855 -2.872 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.683 -5.076 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.915 -5.019 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.686 -6.457 -5.508 1.00 0.00 H new ATOM 1180 N MET A 81 -1.630 -3.402 -3.944 1.00 0.00 N ATOM 1181 CA MET A 81 -0.516 -2.740 -4.679 1.00 0.00 C ATOM 1182 C MET A 81 0.782 -3.514 -4.441 1.00 0.00 C ATOM 1183 O MET A 81 1.536 -3.774 -5.357 1.00 0.00 O ATOM 1184 CB MET A 81 -0.353 -1.303 -4.177 1.00 0.00 C ATOM 1185 CG MET A 81 0.565 -0.532 -5.128 1.00 0.00 C ATOM 1186 SD MET A 81 2.166 -0.259 -4.329 1.00 0.00 S ATOM 1187 CE MET A 81 1.562 0.728 -2.937 1.00 0.00 C ATOM 0 H MET A 81 -1.963 -2.905 -3.118 1.00 0.00 H new ATOM 0 HA MET A 81 -0.742 -2.727 -5.745 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.326 -0.815 -4.118 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.066 -1.303 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.699 -1.091 -6.054 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.112 0.423 -5.394 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.285 1.510 -2.705 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.607 1.183 -3.201 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.429 0.086 -2.066 1.00 0.00 H new ATOM 1197 N MET A 82 1.047 -3.888 -3.220 1.00 0.00 N ATOM 1198 CA MET A 82 2.296 -4.647 -2.929 1.00 0.00 C ATOM 1199 C MET A 82 2.250 -5.995 -3.652 1.00 0.00 C ATOM 1200 O MET A 82 3.233 -6.446 -4.208 1.00 0.00 O ATOM 1201 CB MET A 82 2.414 -4.878 -1.421 1.00 0.00 C ATOM 1202 CG MET A 82 3.756 -4.338 -0.929 1.00 0.00 C ATOM 1203 SD MET A 82 4.987 -5.665 -0.953 1.00 0.00 S ATOM 1204 CE MET A 82 6.412 -4.645 -1.404 1.00 0.00 C ATOM 0 H MET A 82 0.454 -3.701 -2.412 1.00 0.00 H new ATOM 0 HA MET A 82 3.158 -4.077 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.596 -4.380 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.333 -5.942 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.082 -3.513 -1.563 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.652 -3.942 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.300 -5.272 -1.476 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.227 -4.166 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.568 -3.881 -0.642 1.00 0.00 H new ATOM 1214 N VAL A 83 1.117 -6.641 -3.650 1.00 0.00 N ATOM 1215 CA VAL A 83 1.012 -7.958 -4.338 1.00 0.00 C ATOM 1216 C VAL A 83 1.384 -7.790 -5.814 1.00 0.00 C ATOM 1217 O VAL A 83 1.945 -8.676 -6.428 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.421 -8.481 -4.223 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.627 -9.638 -5.203 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.668 -8.974 -2.796 1.00 0.00 C ATOM 0 H VAL A 83 0.261 -6.314 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 83 1.693 -8.670 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.119 -7.678 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.649 -10.009 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.450 -9.289 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.071 -10.442 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.689 -9.347 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.032 -9.776 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.524 -8.151 -2.096 1.00 0.00 H new ATOM 1230 N ARG A 84 1.076 -6.659 -6.389 1.00 0.00 N ATOM 1231 CA ARG A 84 1.413 -6.437 -7.823 1.00 0.00 C ATOM 1232 C ARG A 84 2.875 -6.821 -8.067 1.00 0.00 C ATOM 1233 O ARG A 84 3.172 -7.900 -8.539 1.00 0.00 O ATOM 1234 CB ARG A 84 1.209 -4.962 -8.176 1.00 0.00 C ATOM 1235 CG ARG A 84 0.205 -4.844 -9.324 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.219 -4.901 -8.766 1.00 0.00 C ATOM 1237 NE ARG A 84 -2.180 -4.436 -9.807 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.932 -3.351 -10.487 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.984 -2.187 -9.899 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -1.633 -3.429 -11.754 1.00 0.00 N ATOM 0 H ARG A 84 0.606 -5.880 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 84 0.764 -7.052 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.847 -4.416 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.159 -4.511 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.359 -3.908 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.359 -5.651 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.461 -5.919 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.298 -4.275 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.032 -4.967 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.218 -2.126 -8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.790 -1.338 -10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.593 -4.339 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.439 -2.580 -12.285 1.00 0.00 H new ATOM 1254 N GLN A 85 3.789 -5.948 -7.744 1.00 0.00 N ATOM 1255 CA GLN A 85 5.229 -6.266 -7.953 1.00 0.00 C ATOM 1256 C GLN A 85 5.788 -6.932 -6.697 1.00 0.00 C ATOM 1257 O GLN A 85 6.525 -6.332 -5.938 1.00 0.00 O ATOM 1258 CB GLN A 85 6.003 -4.976 -8.236 1.00 0.00 C ATOM 1259 CG GLN A 85 5.845 -4.018 -7.054 1.00 0.00 C ATOM 1260 CD GLN A 85 4.946 -2.851 -7.463 1.00 0.00 C ATOM 1261 OE1 GLN A 85 5.005 -2.387 -8.584 1.00 0.00 O ATOM 1262 NE2 GLN A 85 4.107 -2.354 -6.595 1.00 0.00 N ATOM 0 H GLN A 85 3.601 -5.029 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 85 5.333 -6.943 -8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.057 -5.200 -8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.632 -4.509 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.413 -4.543 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.820 -3.647 -6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.057 -2.743 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.502 -1.577 -6.858 1.00 0.00 H new ATOM 1271 N MET A 86 5.442 -8.168 -6.469 1.00 0.00 N ATOM 1272 CA MET A 86 5.951 -8.874 -5.261 1.00 0.00 C ATOM 1273 C MET A 86 7.407 -9.282 -5.483 1.00 0.00 C ATOM 1274 O MET A 86 7.736 -9.950 -6.444 1.00 0.00 O ATOM 1275 CB MET A 86 5.102 -10.120 -5.008 1.00 0.00 C ATOM 1276 CG MET A 86 3.895 -9.746 -4.143 1.00 0.00 C ATOM 1277 SD MET A 86 4.337 -9.906 -2.394 1.00 0.00 S ATOM 1278 CE MET A 86 3.294 -8.563 -1.772 1.00 0.00 C ATOM 0 H MET A 86 4.828 -8.720 -7.068 1.00 0.00 H new ATOM 0 HA MET A 86 5.890 -8.211 -4.398 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.767 -10.544 -5.955 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.698 -10.884 -4.509 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.582 -8.724 -4.358 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.051 -10.395 -4.377 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.399 -8.493 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.602 -7.622 -2.228 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.253 -8.765 -2.024 1.00 0.00 H new ATOM 1288 N LYS A 87 8.284 -8.885 -4.603 1.00 0.00 N ATOM 1289 CA LYS A 87 9.719 -9.251 -4.765 1.00 0.00 C ATOM 1290 C LYS A 87 9.903 -10.739 -4.462 1.00 0.00 C ATOM 1291 O LYS A 87 10.795 -11.382 -4.980 1.00 0.00 O ATOM 1292 CB LYS A 87 10.568 -8.425 -3.795 1.00 0.00 C ATOM 1293 CG LYS A 87 10.267 -6.937 -3.989 1.00 0.00 C ATOM 1294 CD LYS A 87 11.545 -6.124 -3.769 1.00 0.00 C ATOM 1295 CE LYS A 87 12.602 -6.548 -4.789 1.00 0.00 C ATOM 1296 NZ LYS A 87 13.855 -6.930 -4.077 1.00 0.00 N ATOM 0 H LYS A 87 8.069 -8.323 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 87 10.033 -9.047 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.354 -8.719 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.627 -8.618 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.880 -6.761 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.495 -6.617 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.333 -5.060 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.918 -6.280 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.236 -7.388 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.800 -5.732 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.574 -7.218 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.206 -6.117 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.660 -7.721 -3.431 1.00 0.00 H new ATOM 1310 N GLU A 88 9.065 -11.292 -3.628 1.00 0.00 N ATOM 1311 CA GLU A 88 9.193 -12.738 -3.293 1.00 0.00 C ATOM 1312 C GLU A 88 8.835 -13.582 -4.519 1.00 0.00 C ATOM 1313 O GLU A 88 9.008 -14.784 -4.529 1.00 0.00 O ATOM 1314 CB GLU A 88 8.243 -13.082 -2.142 1.00 0.00 C ATOM 1315 CG GLU A 88 8.730 -12.407 -0.859 1.00 0.00 C ATOM 1316 CD GLU A 88 8.768 -13.433 0.276 1.00 0.00 C ATOM 1317 OE1 GLU A 88 7.705 -13.813 0.740 1.00 0.00 O ATOM 1318 OE2 GLU A 88 9.859 -13.821 0.662 1.00 0.00 O ATOM 0 H GLU A 88 8.298 -10.805 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 88 10.219 -12.951 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.232 -12.750 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.199 -14.162 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.722 -11.983 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.068 -11.582 -0.596 1.00 0.00 H new ATOM 1325 N ASP A 89 8.339 -12.962 -5.555 1.00 0.00 N ATOM 1326 CA ASP A 89 7.973 -13.730 -6.779 1.00 0.00 C ATOM 1327 C ASP A 89 6.778 -14.636 -6.478 1.00 0.00 C ATOM 1328 O ASP A 89 6.780 -15.809 -6.795 1.00 0.00 O ATOM 1329 CB ASP A 89 9.161 -14.586 -7.220 1.00 0.00 C ATOM 1330 CG ASP A 89 9.636 -14.128 -8.600 1.00 0.00 C ATOM 1331 OD1 ASP A 89 9.651 -12.931 -8.832 1.00 0.00 O ATOM 1332 OD2 ASP A 89 9.977 -14.983 -9.401 1.00 0.00 O ATOM 0 H ASP A 89 8.171 -11.957 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 89 7.710 -13.034 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.973 -14.500 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.873 -15.637 -7.253 1.00 0.00 H new ATOM 1337 N ALA A 90 5.756 -14.101 -5.868 1.00 0.00 N ATOM 1338 CA ALA A 90 4.561 -14.931 -5.549 1.00 0.00 C ATOM 1339 C ALA A 90 3.638 -14.987 -6.768 1.00 0.00 C ATOM 1340 O ALA A 90 3.598 -14.013 -7.500 1.00 0.00 O ATOM 1341 CB ALA A 90 3.810 -14.310 -4.370 1.00 0.00 C ATOM 1342 OXT ALA A 90 2.988 -16.003 -6.949 1.00 0.00 O ATOM 0 H ALA A 90 5.697 -13.125 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 90 4.879 -15.940 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.935 -14.917 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.467 -14.269 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.492 -13.301 -4.632 1.00 0.00 H new TER 1348 ALA A 90