USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 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 7 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.7!) USER MOD Set 1.2: A 31 SER OG : rot 129:sc= 0.0103 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -12:sc= 0.705 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 0:sc= 0.144 USER MOD Single : A 12 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-6.6!) USER MOD Single : A 14 CYS SG : rot -160:sc= -3.63! USER MOD Single : A 16 GLN : amide:sc=-0.00476 X(o=-0.0048,f=-0.043) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -121:sc= 0.668 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.754 -3.517 -0.717 1.00 0.00 N ATOM 2 CA MET A 1 12.489 -3.181 -0.086 1.00 0.00 C ATOM 3 C MET A 1 11.384 -3.010 -1.130 1.00 0.00 C ATOM 4 O MET A 1 11.664 -2.737 -2.296 1.00 0.00 O ATOM 5 CB MET A 1 12.644 -1.884 0.711 1.00 0.00 C ATOM 6 CG MET A 1 11.868 -1.953 2.028 1.00 0.00 C ATOM 7 SD MET A 1 13.000 -2.154 3.393 1.00 0.00 S ATOM 8 CE MET A 1 11.949 -3.028 4.541 1.00 0.00 C ATOM 0 H1 MET A 1 14.487 -3.628 0.012 1.00 0.00 H new ATOM 0 H2 MET A 1 13.653 -4.408 -1.244 1.00 0.00 H new ATOM 0 H3 MET A 1 14.028 -2.757 -1.371 1.00 0.00 H new ATOM 0 HA MET A 1 12.210 -3.996 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.699 -1.703 0.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.285 -1.043 0.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.281 -1.044 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.165 -2.785 2.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.503 -3.235 5.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.078 -2.416 4.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.624 -3.967 4.094 1.00 0.00 H new ATOM 18 N ALA A 2 10.152 -3.178 -0.673 1.00 0.00 N ATOM 19 CA ALA A 2 9.003 -3.046 -1.553 1.00 0.00 C ATOM 20 C ALA A 2 8.063 -1.973 -1.000 1.00 0.00 C ATOM 21 O ALA A 2 8.457 -1.175 -0.151 1.00 0.00 O ATOM 22 CB ALA A 2 8.314 -4.404 -1.702 1.00 0.00 C ATOM 0 H ALA A 2 9.924 -3.404 0.295 1.00 0.00 H new ATOM 0 HA ALA A 2 9.317 -2.729 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.452 -4.304 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.015 -5.123 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.983 -4.753 -0.724 1.00 0.00 H new ATOM 28 N LEU A 3 6.838 -1.988 -1.504 1.00 0.00 N ATOM 29 CA LEU A 3 5.838 -1.027 -1.071 1.00 0.00 C ATOM 30 C LEU A 3 5.584 -1.202 0.427 1.00 0.00 C ATOM 31 O LEU A 3 6.175 -2.074 1.063 1.00 0.00 O ATOM 32 CB LEU A 3 4.575 -1.144 -1.927 1.00 0.00 C ATOM 33 CG LEU A 3 4.687 -0.626 -3.362 1.00 0.00 C ATOM 34 CD1 LEU A 3 3.729 -1.374 -4.291 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.473 0.888 -3.417 1.00 0.00 C ATOM 0 H LEU A 3 6.515 -2.651 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 3 6.200 -0.009 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.280 -2.193 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.771 -0.603 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 3 5.699 -0.821 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.829 -0.986 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.971 -2.437 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.704 -1.232 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.558 1.230 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.481 1.129 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.227 1.385 -2.807 1.00 0.00 H new ATOM 47 N THR A 4 4.705 -0.359 0.948 1.00 0.00 N ATOM 48 CA THR A 4 4.365 -0.409 2.360 1.00 0.00 C ATOM 49 C THR A 4 2.982 0.199 2.598 1.00 0.00 C ATOM 50 O THR A 4 2.814 1.415 2.526 1.00 0.00 O ATOM 51 CB THR A 4 5.480 0.292 3.140 1.00 0.00 C ATOM 52 OG1 THR A 4 6.592 -0.591 3.025 1.00 0.00 O ATOM 53 CG2 THR A 4 5.199 0.344 4.643 1.00 0.00 C ATOM 0 H THR A 4 4.218 0.363 0.417 1.00 0.00 H new ATOM 0 HA THR A 4 4.298 -1.438 2.714 1.00 0.00 H new ATOM 0 HB THR A 4 5.608 1.305 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.291 -1.451 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.020 0.851 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.272 0.888 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.105 -0.670 5.031 1.00 0.00 H new ATOM 61 N LEU A 5 2.026 -0.675 2.877 1.00 0.00 N ATOM 62 CA LEU A 5 0.663 -0.240 3.126 1.00 0.00 C ATOM 63 C LEU A 5 0.385 -0.282 4.630 1.00 0.00 C ATOM 64 O LEU A 5 0.205 -1.357 5.202 1.00 0.00 O ATOM 65 CB LEU A 5 -0.323 -1.064 2.296 1.00 0.00 C ATOM 66 CG LEU A 5 -1.773 -1.066 2.784 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.514 0.185 2.308 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.490 -2.351 2.365 1.00 0.00 C ATOM 0 H LEU A 5 2.169 -1.683 2.936 1.00 0.00 H new ATOM 0 HA LEU A 5 0.529 0.793 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.306 -0.691 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.031 -2.095 2.266 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.767 -1.041 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.542 0.158 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.016 1.073 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.512 0.216 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.519 -2.327 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.487 -2.431 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.976 -3.211 2.794 1.00 0.00 H new ATOM 80 N TYR A 6 0.359 0.900 5.229 1.00 0.00 N ATOM 81 CA TYR A 6 0.107 1.011 6.655 1.00 0.00 C ATOM 82 C TYR A 6 -1.306 0.535 7.001 1.00 0.00 C ATOM 83 O TYR A 6 -2.267 0.886 6.319 1.00 0.00 O ATOM 84 CB TYR A 6 0.227 2.499 6.990 1.00 0.00 C ATOM 85 CG TYR A 6 1.655 3.042 6.909 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.482 2.974 8.011 1.00 0.00 C ATOM 87 CD2 TYR A 6 2.115 3.601 5.734 1.00 0.00 C ATOM 88 CE1 TYR A 6 3.827 3.485 7.934 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.459 4.112 5.657 1.00 0.00 C ATOM 90 CZ TYR A 6 4.248 4.028 6.761 1.00 0.00 C ATOM 91 OH TYR A 6 5.518 4.511 6.689 1.00 0.00 O ATOM 0 H TYR A 6 0.508 1.789 4.752 1.00 0.00 H new ATOM 0 HA TYR A 6 0.811 0.398 7.218 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.406 3.067 6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.158 2.667 7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.122 2.538 8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.467 3.655 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.486 3.438 8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.832 4.552 4.744 1.00 0.00 H new ATOM 0 HH TYR A 6 5.682 4.868 5.791 1.00 0.00 H new ATOM 101 N GLN A 7 -1.386 -0.257 8.060 1.00 0.00 N ATOM 102 CA GLN A 7 -2.665 -0.785 8.504 1.00 0.00 C ATOM 103 C GLN A 7 -2.516 -1.459 9.870 1.00 0.00 C ATOM 104 O GLN A 7 -1.510 -2.116 10.135 1.00 0.00 O ATOM 105 CB GLN A 7 -3.245 -1.757 7.474 1.00 0.00 C ATOM 106 CG GLN A 7 -2.357 -2.994 7.326 1.00 0.00 C ATOM 107 CD GLN A 7 -2.867 -4.142 8.200 1.00 0.00 C ATOM 108 OE1 GLN A 7 -3.544 -3.946 9.196 1.00 0.00 O ATOM 109 NE2 GLN A 7 -2.506 -5.349 7.772 1.00 0.00 N ATOM 0 H GLN A 7 -0.586 -0.546 8.623 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.363 0.046 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.247 -2.059 7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.341 -1.257 6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.336 -3.308 6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.333 -2.747 7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.938 -5.443 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.797 -6.181 8.286 1.00 0.00 H new ATOM 118 N ARG A 8 -3.531 -1.272 10.700 1.00 0.00 N ATOM 119 CA ARG A 8 -3.525 -1.853 12.032 1.00 0.00 C ATOM 120 C ARG A 8 -4.926 -2.345 12.402 1.00 0.00 C ATOM 121 O ARG A 8 -5.819 -1.542 12.668 1.00 0.00 O ATOM 122 CB ARG A 8 -3.056 -0.836 13.075 1.00 0.00 C ATOM 123 CG ARG A 8 -3.831 0.477 12.947 1.00 0.00 C ATOM 124 CD ARG A 8 -4.423 0.897 14.294 1.00 0.00 C ATOM 125 NE ARG A 8 -5.820 0.421 14.404 1.00 0.00 N ATOM 126 CZ ARG A 8 -6.689 0.848 15.330 1.00 0.00 C ATOM 127 NH1 ARG A 8 -6.309 1.763 16.233 1.00 0.00 N ATOM 128 NH2 ARG A 8 -7.936 0.360 15.354 1.00 0.00 N ATOM 0 H ARG A 8 -4.363 -0.726 10.476 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.831 -2.694 12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.192 -1.247 14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.990 -0.647 12.950 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.169 1.260 12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.630 0.362 12.214 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.825 0.486 15.107 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.391 1.982 14.392 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.142 -0.276 13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.359 2.134 16.215 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.970 2.089 16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.224 -0.337 14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.597 0.685 16.059 1.00 0.00 H new ATOM 142 N ASP A 9 -5.073 -3.662 12.409 1.00 0.00 N ATOM 143 CA ASP A 9 -6.350 -4.270 12.742 1.00 0.00 C ATOM 144 C ASP A 9 -7.475 -3.496 12.050 1.00 0.00 C ATOM 145 O ASP A 9 -8.002 -2.533 12.604 1.00 0.00 O ATOM 146 CB ASP A 9 -6.604 -4.225 14.250 1.00 0.00 C ATOM 147 CG ASP A 9 -7.333 -5.444 14.819 1.00 0.00 C ATOM 148 OD1 ASP A 9 -8.287 -5.898 14.151 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.920 -5.894 15.910 1.00 0.00 O ATOM 0 H ASP A 9 -4.329 -4.325 12.189 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.326 -5.308 12.410 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.647 -4.121 14.762 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.186 -3.332 14.479 1.00 0.00 H new ATOM 154 N ASP A 10 -7.809 -3.948 10.851 1.00 0.00 N ATOM 155 CA ASP A 10 -8.862 -3.311 10.077 1.00 0.00 C ATOM 156 C ASP A 10 -9.445 -4.322 9.088 1.00 0.00 C ATOM 157 O ASP A 10 -8.739 -5.211 8.615 1.00 0.00 O ATOM 158 CB ASP A 10 -8.317 -2.126 9.277 1.00 0.00 C ATOM 159 CG ASP A 10 -9.242 -0.910 9.212 1.00 0.00 C ATOM 160 OD1 ASP A 10 -10.077 -0.781 10.134 1.00 0.00 O ATOM 161 OD2 ASP A 10 -9.094 -0.135 8.242 1.00 0.00 O ATOM 0 H ASP A 10 -7.369 -4.748 10.396 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.624 -2.957 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.367 -1.818 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.107 -2.459 8.260 1.00 0.00 H new ATOM 166 N CYS A 11 -10.728 -4.151 8.804 1.00 0.00 N ATOM 167 CA CYS A 11 -11.414 -5.037 7.879 1.00 0.00 C ATOM 168 C CYS A 11 -12.438 -4.214 7.095 1.00 0.00 C ATOM 169 O CYS A 11 -13.640 -4.454 7.195 1.00 0.00 O ATOM 170 CB CYS A 11 -12.065 -6.217 8.604 1.00 0.00 C ATOM 171 SG CYS A 11 -12.200 -7.649 7.473 1.00 0.00 S ATOM 0 H CYS A 11 -11.310 -3.412 9.198 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.693 -5.473 7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -11.474 -6.488 9.478 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.054 -5.933 8.964 1.00 0.00 H new ATOM 0 HG CYS A 11 -11.711 -7.332 6.311 1.00 0.00 H new ATOM 177 N HIS A 12 -11.923 -3.260 6.333 1.00 0.00 N ATOM 178 CA HIS A 12 -12.778 -2.400 5.532 1.00 0.00 C ATOM 179 C HIS A 12 -11.917 -1.405 4.751 1.00 0.00 C ATOM 180 O HIS A 12 -11.715 -1.565 3.548 1.00 0.00 O ATOM 181 CB HIS A 12 -13.830 -1.715 6.405 1.00 0.00 C ATOM 182 CG HIS A 12 -14.575 -0.600 5.710 1.00 0.00 C ATOM 183 ND1 HIS A 12 -13.948 0.542 5.242 1.00 0.00 N ATOM 184 CD2 HIS A 12 -15.898 -0.466 5.406 1.00 0.00 C ATOM 185 CE1 HIS A 12 -14.863 1.322 4.685 1.00 0.00 C ATOM 186 NE2 HIS A 12 -16.071 0.696 4.788 1.00 0.00 N ATOM 0 H HIS A 12 -10.925 -3.064 6.253 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.327 -3.001 4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.548 -2.462 6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.344 -1.314 7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.673 -1.184 5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.684 2.285 4.229 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -16.960 1.061 4.446 1.00 0.00 H new ATOM 194 N LEU A 13 -11.432 -0.401 5.466 1.00 0.00 N ATOM 195 CA LEU A 13 -10.598 0.619 4.855 1.00 0.00 C ATOM 196 C LEU A 13 -9.312 -0.025 4.332 1.00 0.00 C ATOM 197 O LEU A 13 -8.849 0.303 3.241 1.00 0.00 O ATOM 198 CB LEU A 13 -10.355 1.770 5.834 1.00 0.00 C ATOM 199 CG LEU A 13 -10.362 3.176 5.232 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.764 3.563 4.758 1.00 0.00 C ATOM 201 CD2 LEU A 13 -9.787 4.197 6.215 1.00 0.00 C ATOM 0 H LEU A 13 -11.601 -0.272 6.464 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.105 1.062 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.117 1.726 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.393 1.610 6.321 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.715 3.174 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.741 4.567 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.099 2.857 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.453 3.542 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.804 5.188 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.387 4.204 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.760 3.928 6.460 1.00 0.00 H new ATOM 213 N CYS A 14 -8.773 -0.930 5.135 1.00 0.00 N ATOM 214 CA CYS A 14 -7.550 -1.623 4.767 1.00 0.00 C ATOM 215 C CYS A 14 -7.892 -2.670 3.706 1.00 0.00 C ATOM 216 O CYS A 14 -7.144 -2.855 2.747 1.00 0.00 O ATOM 217 CB CYS A 14 -6.865 -2.248 5.985 1.00 0.00 C ATOM 218 SG CYS A 14 -5.230 -2.917 5.508 1.00 0.00 S ATOM 0 H CYS A 14 -9.161 -1.200 6.039 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.835 -0.910 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.747 -1.501 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.487 -3.044 6.394 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.844 -3.790 6.390 1.00 0.00 H new ATOM 224 N ASP A 15 -9.024 -3.328 3.912 1.00 0.00 N ATOM 225 CA ASP A 15 -9.474 -4.352 2.984 1.00 0.00 C ATOM 226 C ASP A 15 -9.642 -3.736 1.594 1.00 0.00 C ATOM 227 O ASP A 15 -9.128 -4.267 0.610 1.00 0.00 O ATOM 228 CB ASP A 15 -10.826 -4.926 3.413 1.00 0.00 C ATOM 229 CG ASP A 15 -10.969 -6.440 3.241 1.00 0.00 C ATOM 230 OD1 ASP A 15 -11.129 -6.866 2.077 1.00 0.00 O ATOM 231 OD2 ASP A 15 -10.915 -7.136 4.277 1.00 0.00 O ATOM 0 H ASP A 15 -9.643 -3.172 4.708 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.730 -5.149 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.994 -4.677 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.611 -4.434 2.839 1.00 0.00 H new ATOM 236 N GLN A 16 -10.362 -2.624 1.557 1.00 0.00 N ATOM 237 CA GLN A 16 -10.603 -1.930 0.303 1.00 0.00 C ATOM 238 C GLN A 16 -9.278 -1.491 -0.324 1.00 0.00 C ATOM 239 O GLN A 16 -9.171 -1.379 -1.544 1.00 0.00 O ATOM 240 CB GLN A 16 -11.535 -0.735 0.508 1.00 0.00 C ATOM 241 CG GLN A 16 -12.999 -1.144 0.327 1.00 0.00 C ATOM 242 CD GLN A 16 -13.886 0.081 0.100 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.693 0.858 -0.821 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.867 0.211 0.989 1.00 0.00 N ATOM 0 H GLN A 16 -10.786 -2.187 2.375 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.096 -2.620 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.390 -0.323 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.283 0.053 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.088 -1.824 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.340 -1.686 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.973 -0.476 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.514 0.997 0.924 1.00 0.00 H new ATOM 253 N ALA A 17 -8.301 -1.253 0.540 1.00 0.00 N ATOM 254 CA ALA A 17 -6.988 -0.829 0.086 1.00 0.00 C ATOM 255 C ALA A 17 -6.264 -2.017 -0.550 1.00 0.00 C ATOM 256 O ALA A 17 -5.756 -1.914 -1.665 1.00 0.00 O ATOM 257 CB ALA A 17 -6.210 -0.232 1.261 1.00 0.00 C ATOM 0 H ALA A 17 -8.393 -1.346 1.552 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.077 -0.053 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.225 0.086 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.752 0.627 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.099 -0.983 2.043 1.00 0.00 H new ATOM 263 N VAL A 18 -6.239 -3.117 0.188 1.00 0.00 N ATOM 264 CA VAL A 18 -5.585 -4.324 -0.290 1.00 0.00 C ATOM 265 C VAL A 18 -6.251 -4.779 -1.590 1.00 0.00 C ATOM 266 O VAL A 18 -5.585 -5.298 -2.484 1.00 0.00 O ATOM 267 CB VAL A 18 -5.606 -5.397 0.800 1.00 0.00 C ATOM 268 CG1 VAL A 18 -4.995 -6.705 0.294 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.892 -4.910 2.063 1.00 0.00 C ATOM 0 H VAL A 18 -6.661 -3.198 1.113 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.536 -4.127 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.647 -5.592 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.022 -7.451 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.565 -7.066 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.961 -6.532 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.921 -5.692 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.855 -4.673 1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.391 -4.018 2.442 1.00 0.00 H new ATOM 279 N GLU A 19 -7.558 -4.568 -1.653 1.00 0.00 N ATOM 280 CA GLU A 19 -8.321 -4.950 -2.829 1.00 0.00 C ATOM 281 C GLU A 19 -7.804 -4.207 -4.063 1.00 0.00 C ATOM 282 O GLU A 19 -7.516 -4.824 -5.088 1.00 0.00 O ATOM 283 CB GLU A 19 -9.815 -4.692 -2.621 1.00 0.00 C ATOM 284 CG GLU A 19 -10.642 -5.922 -2.999 1.00 0.00 C ATOM 285 CD GLU A 19 -11.344 -5.718 -4.343 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.302 -4.915 -4.367 1.00 0.00 O ATOM 287 OE2 GLU A 19 -10.907 -6.370 -5.316 1.00 0.00 O ATOM 0 H GLU A 19 -8.107 -4.138 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.189 -6.020 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.001 -4.431 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.128 -3.840 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.995 -6.798 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.383 -6.119 -2.224 1.00 0.00 H new ATOM 294 N ALA A 20 -7.701 -2.894 -3.923 1.00 0.00 N ATOM 295 CA ALA A 20 -7.223 -2.061 -5.014 1.00 0.00 C ATOM 296 C ALA A 20 -5.818 -2.514 -5.418 1.00 0.00 C ATOM 297 O ALA A 20 -5.490 -2.547 -6.603 1.00 0.00 O ATOM 298 CB ALA A 20 -7.261 -0.591 -4.588 1.00 0.00 C ATOM 0 H ALA A 20 -7.940 -2.386 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.867 -2.165 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.903 0.034 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.284 -0.311 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.623 -0.448 -3.716 1.00 0.00 H new ATOM 304 N LEU A 21 -5.027 -2.852 -4.411 1.00 0.00 N ATOM 305 CA LEU A 21 -3.666 -3.301 -4.647 1.00 0.00 C ATOM 306 C LEU A 21 -3.693 -4.560 -5.516 1.00 0.00 C ATOM 307 O LEU A 21 -3.082 -4.595 -6.583 1.00 0.00 O ATOM 308 CB LEU A 21 -2.925 -3.486 -3.321 1.00 0.00 C ATOM 309 CG LEU A 21 -1.920 -2.391 -2.956 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.621 -2.399 -1.456 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.647 -2.514 -3.795 1.00 0.00 C ATOM 0 H LEU A 21 -5.303 -2.824 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.105 -2.545 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.663 -3.555 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.398 -4.440 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.367 -1.425 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.904 -1.611 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.543 -2.226 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.203 -3.365 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.050 -1.724 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.186 -3.485 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.897 -2.420 -4.852 1.00 0.00 H new ATOM 323 N ALA A 22 -4.407 -5.563 -5.027 1.00 0.00 N ATOM 324 CA ALA A 22 -4.522 -6.820 -5.747 1.00 0.00 C ATOM 325 C ALA A 22 -5.035 -6.549 -7.162 1.00 0.00 C ATOM 326 O ALA A 22 -4.490 -7.069 -8.134 1.00 0.00 O ATOM 327 CB ALA A 22 -5.433 -7.772 -4.969 1.00 0.00 C ATOM 0 H ALA A 22 -4.912 -5.531 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.548 -7.301 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.520 -8.715 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.009 -7.956 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.421 -7.324 -4.861 1.00 0.00 H new ATOM 333 N GLN A 23 -6.077 -5.734 -7.233 1.00 0.00 N ATOM 334 CA GLN A 23 -6.670 -5.387 -8.513 1.00 0.00 C ATOM 335 C GLN A 23 -5.621 -4.753 -9.429 1.00 0.00 C ATOM 336 O GLN A 23 -5.563 -5.062 -10.619 1.00 0.00 O ATOM 337 CB GLN A 23 -7.870 -4.456 -8.327 1.00 0.00 C ATOM 338 CG GLN A 23 -9.127 -5.248 -7.963 1.00 0.00 C ATOM 339 CD GLN A 23 -10.305 -4.846 -8.854 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.408 -5.237 -10.005 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.185 -4.046 -8.259 1.00 0.00 N ATOM 0 H GLN A 23 -6.526 -5.304 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.031 -6.301 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.654 -3.730 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.043 -3.893 -9.244 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.933 -6.315 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.381 -5.074 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.038 -3.756 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.007 -3.722 -8.769 1.00 0.00 H new ATOM 350 N ALA A 24 -4.818 -3.879 -8.841 1.00 0.00 N ATOM 351 CA ALA A 24 -3.775 -3.199 -9.589 1.00 0.00 C ATOM 352 C ALA A 24 -2.633 -4.178 -9.867 1.00 0.00 C ATOM 353 O ALA A 24 -1.718 -3.871 -10.631 1.00 0.00 O ATOM 354 CB ALA A 24 -3.309 -1.966 -8.812 1.00 0.00 C ATOM 0 H ALA A 24 -4.869 -3.626 -7.854 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.156 -2.853 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.526 -1.456 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.150 -1.289 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.918 -2.273 -7.842 1.00 0.00 H new ATOM 360 N ARG A 25 -2.722 -5.338 -9.233 1.00 0.00 N ATOM 361 CA ARG A 25 -1.708 -6.364 -9.403 1.00 0.00 C ATOM 362 C ARG A 25 -0.332 -5.820 -9.013 1.00 0.00 C ATOM 363 O ARG A 25 0.664 -6.109 -9.675 1.00 0.00 O ATOM 364 CB ARG A 25 -1.662 -6.860 -10.849 1.00 0.00 C ATOM 365 CG ARG A 25 -2.574 -8.072 -11.043 1.00 0.00 C ATOM 366 CD ARG A 25 -1.757 -9.332 -11.339 1.00 0.00 C ATOM 367 NE ARG A 25 -2.441 -10.149 -12.366 1.00 0.00 N ATOM 368 CZ ARG A 25 -2.099 -11.407 -12.675 1.00 0.00 C ATOM 369 NH1 ARG A 25 -1.080 -12.000 -12.038 1.00 0.00 N ATOM 370 NH2 ARG A 25 -2.776 -12.072 -13.621 1.00 0.00 N ATOM 0 H ARG A 25 -3.481 -5.590 -8.600 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.970 -7.199 -8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.968 -6.059 -11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.638 -7.125 -11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.175 -8.226 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.267 -7.883 -11.863 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.761 -9.056 -11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.627 -9.914 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.222 -9.728 -12.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.565 -11.494 -11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.820 -12.958 -12.273 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.552 -11.620 -14.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.516 -13.030 -13.856 1.00 0.00 H new ATOM 384 N ALA A 26 -0.320 -5.041 -7.941 1.00 0.00 N ATOM 385 CA ALA A 26 0.917 -4.454 -7.456 1.00 0.00 C ATOM 386 C ALA A 26 1.968 -5.553 -7.293 1.00 0.00 C ATOM 387 O ALA A 26 3.047 -5.477 -7.879 1.00 0.00 O ATOM 388 CB ALA A 26 0.648 -3.705 -6.149 1.00 0.00 C ATOM 0 H ALA A 26 -1.148 -4.803 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 26 1.306 -3.730 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.576 -3.264 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.083 -2.916 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.260 -4.400 -5.405 1.00 0.00 H new ATOM 394 N GLY A 27 1.617 -6.550 -6.494 1.00 0.00 N ATOM 395 CA GLY A 27 2.517 -7.663 -6.246 1.00 0.00 C ATOM 396 C GLY A 27 2.720 -7.880 -4.745 1.00 0.00 C ATOM 397 O GLY A 27 1.772 -7.789 -3.967 1.00 0.00 O ATOM 0 H GLY A 27 0.721 -6.610 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.113 -8.569 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.478 -7.471 -6.723 1.00 0.00 H new ATOM 401 N ALA A 28 3.963 -8.164 -4.384 1.00 0.00 N ATOM 402 CA ALA A 28 4.303 -8.395 -2.990 1.00 0.00 C ATOM 403 C ALA A 28 4.677 -7.065 -2.333 1.00 0.00 C ATOM 404 O ALA A 28 5.111 -6.135 -3.011 1.00 0.00 O ATOM 405 CB ALA A 28 5.430 -9.426 -2.903 1.00 0.00 C ATOM 0 H ALA A 28 4.747 -8.239 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 28 3.448 -8.801 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.685 -9.599 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.103 -10.362 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.306 -9.053 -3.433 1.00 0.00 H new ATOM 411 N PHE A 29 4.495 -7.017 -1.022 1.00 0.00 N ATOM 412 CA PHE A 29 4.808 -5.816 -0.266 1.00 0.00 C ATOM 413 C PHE A 29 4.966 -6.131 1.223 1.00 0.00 C ATOM 414 O PHE A 29 4.937 -7.294 1.622 1.00 0.00 O ATOM 415 CB PHE A 29 3.633 -4.853 -0.449 1.00 0.00 C ATOM 416 CG PHE A 29 2.277 -5.444 -0.056 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.956 -5.595 1.257 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.393 -5.819 -1.020 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.698 -6.143 1.621 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.135 -6.367 -0.655 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.186 -6.518 0.658 1.00 0.00 C ATOM 0 H PHE A 29 4.135 -7.791 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 29 5.745 -5.387 -0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.814 -3.958 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.593 -4.539 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.658 -5.298 2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.648 -5.700 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.443 -6.262 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.567 -6.664 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.143 -6.936 0.936 1.00 0.00 H new ATOM 431 N PHE A 30 5.131 -5.074 2.004 1.00 0.00 N ATOM 432 CA PHE A 30 5.295 -5.223 3.440 1.00 0.00 C ATOM 433 C PHE A 30 4.166 -4.519 4.196 1.00 0.00 C ATOM 434 O PHE A 30 3.694 -3.464 3.774 1.00 0.00 O ATOM 435 CB PHE A 30 6.626 -4.566 3.809 1.00 0.00 C ATOM 436 CG PHE A 30 7.856 -5.354 3.354 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.048 -5.611 2.032 1.00 0.00 C ATOM 438 CD2 PHE A 30 8.757 -5.798 4.271 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.190 -6.342 1.610 1.00 0.00 C ATOM 440 CE2 PHE A 30 9.899 -6.529 3.849 1.00 0.00 C ATOM 441 CZ PHE A 30 10.091 -6.786 2.527 1.00 0.00 C ATOM 0 H PHE A 30 5.155 -4.111 1.670 1.00 0.00 H new ATOM 0 HA PHE A 30 5.274 -6.279 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.662 -3.570 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.669 -4.438 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.332 -5.259 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.604 -5.595 5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.343 -6.545 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.615 -6.881 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.959 -7.343 2.206 1.00 0.00 H new ATOM 451 N SER A 31 3.765 -5.132 5.301 1.00 0.00 N ATOM 452 CA SER A 31 2.701 -4.577 6.120 1.00 0.00 C ATOM 453 C SER A 31 3.291 -3.907 7.362 1.00 0.00 C ATOM 454 O SER A 31 4.232 -4.424 7.963 1.00 0.00 O ATOM 455 CB SER A 31 1.698 -5.659 6.526 1.00 0.00 C ATOM 456 OG SER A 31 0.358 -5.177 6.514 1.00 0.00 O ATOM 0 H SER A 31 4.158 -6.007 5.648 1.00 0.00 H new ATOM 0 HA SER A 31 2.170 -3.830 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.784 -6.507 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.943 -6.024 7.523 1.00 0.00 H new ATOM 0 HG SER A 31 -0.204 -5.786 5.991 1.00 0.00 H new ATOM 462 N VAL A 32 2.714 -2.767 7.711 1.00 0.00 N ATOM 463 CA VAL A 32 3.171 -2.021 8.871 1.00 0.00 C ATOM 464 C VAL A 32 1.960 -1.546 9.676 1.00 0.00 C ATOM 465 O VAL A 32 0.968 -1.095 9.105 1.00 0.00 O ATOM 466 CB VAL A 32 4.083 -0.874 8.430 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.377 0.072 9.596 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.378 -1.408 7.816 1.00 0.00 C ATOM 0 H VAL A 32 1.934 -2.341 7.211 1.00 0.00 H new ATOM 0 HA VAL A 32 3.766 -2.659 9.525 1.00 0.00 H new ATOM 0 HB VAL A 32 3.559 -0.305 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.027 0.878 9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.443 0.492 9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.871 -0.479 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.008 -0.572 7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.908 -2.012 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.142 -2.021 6.946 1.00 0.00 H new ATOM 478 N PHE A 33 2.081 -1.663 10.991 1.00 0.00 N ATOM 479 CA PHE A 33 1.008 -1.251 11.880 1.00 0.00 C ATOM 480 C PHE A 33 1.320 0.100 12.527 1.00 0.00 C ATOM 481 O PHE A 33 2.357 0.260 13.169 1.00 0.00 O ATOM 482 CB PHE A 33 0.902 -2.314 12.975 1.00 0.00 C ATOM 483 CG PHE A 33 0.943 -3.752 12.452 1.00 0.00 C ATOM 484 CD1 PHE A 33 -0.188 -4.333 11.971 1.00 0.00 C ATOM 485 CD2 PHE A 33 2.112 -4.448 12.469 1.00 0.00 C ATOM 486 CE1 PHE A 33 -0.149 -5.667 11.486 1.00 0.00 C ATOM 487 CE2 PHE A 33 2.151 -5.782 11.984 1.00 0.00 C ATOM 488 CZ PHE A 33 1.019 -6.363 11.503 1.00 0.00 C ATOM 0 H PHE A 33 2.905 -2.037 11.461 1.00 0.00 H new ATOM 0 HA PHE A 33 0.079 -1.149 11.319 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.717 -2.173 13.684 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.028 -2.164 13.524 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.116 -3.780 11.958 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.010 -3.986 12.851 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.047 -6.129 11.104 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.079 -6.335 11.997 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.048 -7.378 11.134 1.00 0.00 H new ATOM 498 N ILE A 34 0.404 1.038 12.334 1.00 0.00 N ATOM 499 CA ILE A 34 0.569 2.370 12.891 1.00 0.00 C ATOM 500 C ILE A 34 0.234 2.340 14.383 1.00 0.00 C ATOM 501 O ILE A 34 0.556 3.275 15.115 1.00 0.00 O ATOM 502 CB ILE A 34 -0.252 3.388 12.096 1.00 0.00 C ATOM 503 CG1 ILE A 34 -1.737 3.292 12.453 1.00 0.00 C ATOM 504 CG2 ILE A 34 -0.012 3.233 10.593 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.335 4.680 12.691 1.00 0.00 C ATOM 0 H ILE A 34 -0.454 0.902 11.800 1.00 0.00 H new ATOM 0 HA ILE A 34 1.606 2.694 12.804 1.00 0.00 H new ATOM 0 HB ILE A 34 0.082 4.388 12.373 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.277 2.793 11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.861 2.681 13.347 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.607 3.968 10.052 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.044 3.390 10.375 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.302 2.230 10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.391 4.583 12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.809 5.167 13.512 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.231 5.281 11.787 1.00 0.00 H new ATOM 517 N ASP A 35 -0.410 1.256 14.791 1.00 0.00 N ATOM 518 CA ASP A 35 -0.792 1.091 16.183 1.00 0.00 C ATOM 519 C ASP A 35 0.456 1.177 17.064 1.00 0.00 C ATOM 520 O ASP A 35 1.549 0.809 16.635 1.00 0.00 O ATOM 521 CB ASP A 35 -1.444 -0.273 16.417 1.00 0.00 C ATOM 522 CG ASP A 35 -0.468 -1.444 16.538 1.00 0.00 C ATOM 523 OD1 ASP A 35 0.340 -1.414 17.491 1.00 0.00 O ATOM 524 OD2 ASP A 35 -0.550 -2.343 15.673 1.00 0.00 O ATOM 0 H ASP A 35 -0.677 0.483 14.181 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.503 1.878 16.433 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.041 -0.222 17.327 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.131 -0.476 15.596 1.00 0.00 H new ATOM 529 N ASP A 36 0.251 1.664 18.278 1.00 0.00 N ATOM 530 CA ASP A 36 1.346 1.802 19.223 1.00 0.00 C ATOM 531 C ASP A 36 2.115 3.091 18.922 1.00 0.00 C ATOM 532 O ASP A 36 2.313 3.921 19.808 1.00 0.00 O ATOM 533 CB ASP A 36 2.324 0.631 19.109 1.00 0.00 C ATOM 534 CG ASP A 36 2.913 0.148 20.435 1.00 0.00 C ATOM 535 OD1 ASP A 36 2.162 0.179 21.434 1.00 0.00 O ATOM 536 OD2 ASP A 36 4.101 -0.241 20.421 1.00 0.00 O ATOM 0 H ASP A 36 -0.657 1.968 18.630 1.00 0.00 H new ATOM 0 HA ASP A 36 0.923 1.822 20.227 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.813 -0.204 18.630 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.142 0.923 18.451 1.00 0.00 H new ATOM 541 N ASP A 37 2.526 3.217 17.669 1.00 0.00 N ATOM 542 CA ASP A 37 3.269 4.390 17.240 1.00 0.00 C ATOM 543 C ASP A 37 2.331 5.599 17.211 1.00 0.00 C ATOM 544 O ASP A 37 1.541 5.754 16.281 1.00 0.00 O ATOM 545 CB ASP A 37 3.836 4.198 15.832 1.00 0.00 C ATOM 546 CG ASP A 37 4.997 3.207 15.733 1.00 0.00 C ATOM 547 OD1 ASP A 37 6.001 3.434 16.442 1.00 0.00 O ATOM 548 OD2 ASP A 37 4.854 2.243 14.949 1.00 0.00 O ATOM 0 H ASP A 37 2.359 2.527 16.937 1.00 0.00 H new ATOM 0 HA ASP A 37 4.089 4.545 17.941 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.033 3.861 15.176 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.170 5.165 15.456 1.00 0.00 H new ATOM 553 N ALA A 38 2.449 6.424 18.241 1.00 0.00 N ATOM 554 CA ALA A 38 1.622 7.614 18.345 1.00 0.00 C ATOM 555 C ALA A 38 2.026 8.608 17.254 1.00 0.00 C ATOM 556 O ALA A 38 1.186 9.340 16.734 1.00 0.00 O ATOM 557 CB ALA A 38 1.753 8.206 19.750 1.00 0.00 C ATOM 0 H ALA A 38 3.105 6.292 19.011 1.00 0.00 H new ATOM 0 HA ALA A 38 0.572 7.366 18.192 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.133 9.099 19.828 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.426 7.472 20.486 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.794 8.470 19.938 1.00 0.00 H new ATOM 563 N ALA A 39 3.314 8.602 16.940 1.00 0.00 N ATOM 564 CA ALA A 39 3.839 9.494 15.920 1.00 0.00 C ATOM 565 C ALA A 39 3.139 9.210 14.590 1.00 0.00 C ATOM 566 O ALA A 39 2.629 10.125 13.945 1.00 0.00 O ATOM 567 CB ALA A 39 5.357 9.325 15.828 1.00 0.00 C ATOM 0 H ALA A 39 4.009 7.994 17.374 1.00 0.00 H new ATOM 0 HA ALA A 39 3.641 10.534 16.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.752 9.994 15.063 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.809 9.567 16.790 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.593 8.294 15.565 1.00 0.00 H new ATOM 573 N LEU A 40 3.137 7.938 14.219 1.00 0.00 N ATOM 574 CA LEU A 40 2.508 7.522 12.977 1.00 0.00 C ATOM 575 C LEU A 40 0.996 7.737 13.079 1.00 0.00 C ATOM 576 O LEU A 40 0.356 8.140 12.109 1.00 0.00 O ATOM 577 CB LEU A 40 2.902 6.085 12.632 1.00 0.00 C ATOM 578 CG LEU A 40 4.402 5.816 12.492 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.691 4.313 12.482 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.972 6.518 11.258 1.00 0.00 C ATOM 0 H LEU A 40 3.561 7.182 14.757 1.00 0.00 H new ATOM 0 HA LEU A 40 2.863 8.133 12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.505 5.425 13.404 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.415 5.810 11.696 1.00 0.00 H new ATOM 0 HG LEU A 40 4.907 6.235 13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.764 4.149 12.381 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.342 3.869 13.414 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.173 3.848 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.039 6.311 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.466 6.151 10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.817 7.593 11.347 1.00 0.00 H new ATOM 592 N GLU A 41 0.470 7.459 14.263 1.00 0.00 N ATOM 593 CA GLU A 41 -0.954 7.617 14.504 1.00 0.00 C ATOM 594 C GLU A 41 -1.371 9.073 14.288 1.00 0.00 C ATOM 595 O GLU A 41 -2.382 9.344 13.642 1.00 0.00 O ATOM 596 CB GLU A 41 -1.328 7.142 15.909 1.00 0.00 C ATOM 597 CG GLU A 41 -1.306 5.615 15.996 1.00 0.00 C ATOM 598 CD GLU A 41 -2.724 5.042 15.945 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.636 5.740 16.438 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.863 3.919 15.414 1.00 0.00 O ATOM 0 H GLU A 41 1.004 7.125 15.065 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.495 6.995 13.790 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.632 7.561 16.636 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.320 7.510 16.169 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.716 5.209 15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.819 5.307 16.921 1.00 0.00 H new ATOM 607 N SER A 42 -0.570 9.972 14.841 1.00 0.00 N ATOM 608 CA SER A 42 -0.843 11.394 14.717 1.00 0.00 C ATOM 609 C SER A 42 -0.582 11.854 13.282 1.00 0.00 C ATOM 610 O SER A 42 -1.209 12.799 12.805 1.00 0.00 O ATOM 611 CB SER A 42 0.007 12.205 15.698 1.00 0.00 C ATOM 612 OG SER A 42 -0.788 13.076 16.499 1.00 0.00 O ATOM 0 H SER A 42 0.268 9.743 15.376 1.00 0.00 H new ATOM 0 HA SER A 42 -1.892 11.564 14.960 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.563 11.525 16.344 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.741 12.791 15.144 1.00 0.00 H new ATOM 0 HG SER A 42 -0.210 13.575 17.113 1.00 0.00 H new ATOM 618 N ALA A 43 0.345 11.165 12.633 1.00 0.00 N ATOM 619 CA ALA A 43 0.697 11.491 11.261 1.00 0.00 C ATOM 620 C ALA A 43 -0.415 11.011 10.326 1.00 0.00 C ATOM 621 O ALA A 43 -0.763 11.697 9.367 1.00 0.00 O ATOM 622 CB ALA A 43 2.054 10.870 10.921 1.00 0.00 C ATOM 0 H ALA A 43 0.863 10.382 13.032 1.00 0.00 H new ATOM 0 HA ALA A 43 0.791 12.570 11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.318 11.114 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.814 11.266 11.595 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.997 9.787 11.034 1.00 0.00 H new ATOM 628 N TYR A 44 -0.941 9.836 10.639 1.00 0.00 N ATOM 629 CA TYR A 44 -2.006 9.256 9.839 1.00 0.00 C ATOM 630 C TYR A 44 -3.329 9.250 10.608 1.00 0.00 C ATOM 631 O TYR A 44 -4.230 10.031 10.305 1.00 0.00 O ATOM 632 CB TYR A 44 -1.586 7.811 9.560 1.00 0.00 C ATOM 633 CG TYR A 44 -0.421 7.681 8.576 1.00 0.00 C ATOM 634 CD1 TYR A 44 -0.554 8.147 7.284 1.00 0.00 C ATOM 635 CD2 TYR A 44 0.762 7.097 8.981 1.00 0.00 C ATOM 636 CE1 TYR A 44 0.542 8.024 6.358 1.00 0.00 C ATOM 637 CE2 TYR A 44 1.858 6.974 8.055 1.00 0.00 C ATOM 638 CZ TYR A 44 1.694 7.444 6.789 1.00 0.00 C ATOM 639 OH TYR A 44 2.729 7.327 5.915 1.00 0.00 O ATOM 0 H TYR A 44 -0.649 9.270 11.436 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.156 9.832 8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.308 7.336 10.501 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.443 7.264 9.167 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.480 8.604 6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.866 6.732 9.992 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.451 8.384 5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.789 6.519 8.359 1.00 0.00 H new ATOM 0 HH TYR A 44 2.970 6.382 5.818 1.00 0.00 H new ATOM 649 N GLY A 45 -3.403 8.361 11.587 1.00 0.00 N ATOM 650 CA GLY A 45 -4.601 8.244 12.402 1.00 0.00 C ATOM 651 C GLY A 45 -5.792 7.777 11.562 1.00 0.00 C ATOM 652 O GLY A 45 -6.228 6.633 11.679 1.00 0.00 O ATOM 0 H GLY A 45 -2.654 7.715 11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.425 7.539 13.214 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.829 9.207 12.860 1.00 0.00 H new ATOM 656 N LEU A 46 -6.283 8.687 10.734 1.00 0.00 N ATOM 657 CA LEU A 46 -7.415 8.384 9.875 1.00 0.00 C ATOM 658 C LEU A 46 -6.904 7.921 8.509 1.00 0.00 C ATOM 659 O LEU A 46 -7.600 7.205 7.791 1.00 0.00 O ATOM 660 CB LEU A 46 -8.368 9.578 9.802 1.00 0.00 C ATOM 661 CG LEU A 46 -9.727 9.394 10.480 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.565 8.341 9.752 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.560 9.067 11.965 1.00 0.00 C ATOM 0 H LEU A 46 -5.918 9.635 10.640 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.000 7.564 10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.874 10.440 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.537 9.819 8.752 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.270 10.337 10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.526 8.230 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.729 8.655 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.038 7.387 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.541 8.941 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.989 8.145 12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.031 9.881 12.460 1.00 0.00 H new ATOM 675 N ARG A 47 -5.691 8.350 8.191 1.00 0.00 N ATOM 676 CA ARG A 47 -5.078 7.988 6.924 1.00 0.00 C ATOM 677 C ARG A 47 -4.205 6.743 7.092 1.00 0.00 C ATOM 678 O ARG A 47 -3.125 6.655 6.510 1.00 0.00 O ATOM 679 CB ARG A 47 -4.222 9.134 6.380 1.00 0.00 C ATOM 680 CG ARG A 47 -5.092 10.326 5.977 1.00 0.00 C ATOM 681 CD ARG A 47 -4.736 11.567 6.797 1.00 0.00 C ATOM 682 NE ARG A 47 -4.641 12.749 5.911 1.00 0.00 N ATOM 683 CZ ARG A 47 -4.167 13.941 6.298 1.00 0.00 C ATOM 684 NH1 ARG A 47 -3.742 14.117 7.556 1.00 0.00 N ATOM 685 NH2 ARG A 47 -4.119 14.958 5.426 1.00 0.00 N ATOM 0 H ARG A 47 -5.117 8.945 8.789 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.880 7.780 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.501 9.445 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.651 8.788 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.958 10.536 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.144 10.079 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.493 11.736 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.789 11.412 7.314 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.956 12.650 4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.779 13.343 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.381 15.025 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.443 14.824 4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.758 15.866 5.720 1.00 0.00 H new ATOM 699 N VAL A 48 -4.705 5.812 7.892 1.00 0.00 N ATOM 700 CA VAL A 48 -3.984 4.576 8.144 1.00 0.00 C ATOM 701 C VAL A 48 -3.685 3.885 6.813 1.00 0.00 C ATOM 702 O VAL A 48 -2.547 3.499 6.552 1.00 0.00 O ATOM 703 CB VAL A 48 -4.778 3.695 9.111 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.738 2.229 8.675 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.269 3.856 10.544 1.00 0.00 C ATOM 0 H VAL A 48 -5.601 5.889 8.374 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.028 4.782 8.625 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.817 4.023 9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.310 1.624 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.171 2.134 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.704 1.883 8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.851 3.219 11.210 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.219 3.568 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.374 4.896 10.853 1.00 0.00 H new ATOM 715 N PRO A 49 -4.755 3.745 5.984 1.00 0.00 N ATOM 716 CA PRO A 49 -4.618 3.106 4.687 1.00 0.00 C ATOM 717 C PRO A 49 -3.922 4.035 3.689 1.00 0.00 C ATOM 718 O PRO A 49 -4.565 4.586 2.796 1.00 0.00 O ATOM 719 CB PRO A 49 -6.035 2.746 4.274 1.00 0.00 C ATOM 720 CG PRO A 49 -6.950 3.605 5.131 1.00 0.00 C ATOM 721 CD PRO A 49 -6.117 4.190 6.260 1.00 0.00 C ATOM 0 HA PRO A 49 -3.989 2.216 4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.195 2.943 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.231 1.686 4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.396 4.400 4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.770 3.008 5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.182 5.278 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.461 3.834 7.231 1.00 0.00 H new ATOM 729 N VAL A 50 -2.618 4.180 3.874 1.00 0.00 N ATOM 730 CA VAL A 50 -1.829 5.032 3.001 1.00 0.00 C ATOM 731 C VAL A 50 -0.793 4.181 2.264 1.00 0.00 C ATOM 732 O VAL A 50 -0.075 3.396 2.883 1.00 0.00 O ATOM 733 CB VAL A 50 -1.202 6.170 3.809 1.00 0.00 C ATOM 734 CG1 VAL A 50 -0.010 6.778 3.066 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.241 7.240 4.147 1.00 0.00 C ATOM 0 H VAL A 50 -2.088 3.722 4.616 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.463 5.497 2.246 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.835 5.752 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.417 7.584 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.745 6.010 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.343 7.173 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.769 8.037 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.652 7.652 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.043 6.795 4.735 1.00 0.00 H new ATOM 745 N LEU A 51 -0.749 4.364 0.953 1.00 0.00 N ATOM 746 CA LEU A 51 0.187 3.622 0.125 1.00 0.00 C ATOM 747 C LEU A 51 1.455 4.455 -0.076 1.00 0.00 C ATOM 748 O LEU A 51 1.414 5.511 -0.706 1.00 0.00 O ATOM 749 CB LEU A 51 -0.479 3.191 -1.183 1.00 0.00 C ATOM 750 CG LEU A 51 0.242 2.099 -1.975 1.00 0.00 C ATOM 751 CD1 LEU A 51 1.301 1.406 -1.115 1.00 0.00 C ATOM 752 CD2 LEU A 51 -0.756 1.103 -2.570 1.00 0.00 C ATOM 0 H LEU A 51 -1.346 5.015 0.443 1.00 0.00 H new ATOM 0 HA LEU A 51 0.486 2.699 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.487 2.843 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.581 4.068 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 51 0.763 2.569 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.798 0.634 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.036 2.139 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.824 0.951 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.217 0.337 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.325 0.634 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.438 1.627 -3.239 1.00 0.00 H new ATOM 764 N ARG A 52 2.550 3.949 0.470 1.00 0.00 N ATOM 765 CA ARG A 52 3.827 4.633 0.359 1.00 0.00 C ATOM 766 C ARG A 52 4.789 3.823 -0.514 1.00 0.00 C ATOM 767 O ARG A 52 4.571 2.635 -0.747 1.00 0.00 O ATOM 768 CB ARG A 52 4.458 4.850 1.735 1.00 0.00 C ATOM 769 CG ARG A 52 4.873 3.518 2.364 1.00 0.00 C ATOM 770 CD ARG A 52 6.295 3.595 2.923 1.00 0.00 C ATOM 771 NE ARG A 52 7.250 2.995 1.964 1.00 0.00 N ATOM 772 CZ ARG A 52 8.462 2.535 2.300 1.00 0.00 C ATOM 773 NH1 ARG A 52 8.876 2.602 3.573 1.00 0.00 N ATOM 774 NH2 ARG A 52 9.261 2.007 1.363 1.00 0.00 N ATOM 0 H ARG A 52 2.580 3.073 0.991 1.00 0.00 H new ATOM 0 HA ARG A 52 3.644 5.604 -0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.329 5.499 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.749 5.359 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.178 3.257 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.814 2.725 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.563 4.634 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.348 3.071 3.877 1.00 0.00 H new ATOM 0 HE ARG A 52 6.967 2.928 0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.268 3.004 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.799 2.251 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.946 1.956 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.184 1.657 1.618 1.00 0.00 H new ATOM 788 N ASP A 53 5.832 4.499 -0.973 1.00 0.00 N ATOM 789 CA ASP A 53 6.828 3.857 -1.815 1.00 0.00 C ATOM 790 C ASP A 53 8.222 4.132 -1.248 1.00 0.00 C ATOM 791 O ASP A 53 8.388 5.001 -0.393 1.00 0.00 O ATOM 792 CB ASP A 53 6.780 4.408 -3.241 1.00 0.00 C ATOM 793 CG ASP A 53 6.175 5.807 -3.375 1.00 0.00 C ATOM 794 OD1 ASP A 53 4.935 5.878 -3.516 1.00 0.00 O ATOM 795 OD2 ASP A 53 6.966 6.774 -3.332 1.00 0.00 O ATOM 0 H ASP A 53 6.009 5.484 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 53 6.616 2.788 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.794 4.427 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.206 3.720 -3.861 1.00 0.00 H new ATOM 800 N PRO A 54 9.214 3.355 -1.760 1.00 0.00 N ATOM 801 CA PRO A 54 10.588 3.506 -1.314 1.00 0.00 C ATOM 802 C PRO A 54 11.222 4.766 -1.907 1.00 0.00 C ATOM 803 O PRO A 54 12.228 5.257 -1.398 1.00 0.00 O ATOM 804 CB PRO A 54 11.286 2.228 -1.751 1.00 0.00 C ATOM 805 CG PRO A 54 10.402 1.617 -2.825 1.00 0.00 C ATOM 806 CD PRO A 54 9.053 2.316 -2.773 1.00 0.00 C ATOM 0 HA PRO A 54 10.668 3.639 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.282 2.440 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.410 1.544 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.857 1.738 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.284 0.546 -2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.791 2.743 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.257 1.621 -2.505 1.00 0.00 H new ATOM 814 N MET A 55 10.607 5.253 -2.975 1.00 0.00 N ATOM 815 CA MET A 55 11.098 6.446 -3.642 1.00 0.00 C ATOM 816 C MET A 55 10.972 7.672 -2.736 1.00 0.00 C ATOM 817 O MET A 55 11.864 8.518 -2.703 1.00 0.00 O ATOM 818 CB MET A 55 10.301 6.676 -4.928 1.00 0.00 C ATOM 819 CG MET A 55 10.732 5.698 -6.023 1.00 0.00 C ATOM 820 SD MET A 55 9.880 4.143 -5.822 1.00 0.00 S ATOM 821 CE MET A 55 10.961 3.074 -6.757 1.00 0.00 C ATOM 0 H MET A 55 9.773 4.843 -3.395 1.00 0.00 H new ATOM 0 HA MET A 55 12.152 6.300 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.237 6.556 -4.727 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.447 7.700 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.512 6.118 -7.004 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.810 5.540 -5.978 1.00 0.00 H new ATOM 0 HE1 MET A 55 10.573 2.055 -6.735 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.012 3.421 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.959 3.092 -6.319 1.00 0.00 H new ATOM 831 N GLY A 56 9.856 7.730 -2.024 1.00 0.00 N ATOM 832 CA GLY A 56 9.601 8.839 -1.121 1.00 0.00 C ATOM 833 C GLY A 56 8.291 9.545 -1.474 1.00 0.00 C ATOM 834 O GLY A 56 8.203 10.770 -1.407 1.00 0.00 O ATOM 0 H GLY A 56 9.118 7.027 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.556 8.474 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.426 9.550 -1.171 1.00 0.00 H new ATOM 838 N ARG A 57 7.304 8.741 -1.842 1.00 0.00 N ATOM 839 CA ARG A 57 6.002 9.273 -2.207 1.00 0.00 C ATOM 840 C ARG A 57 4.890 8.376 -1.660 1.00 0.00 C ATOM 841 O ARG A 57 5.123 7.207 -1.356 1.00 0.00 O ATOM 842 CB ARG A 57 5.857 9.384 -3.726 1.00 0.00 C ATOM 843 CG ARG A 57 7.070 10.085 -4.342 1.00 0.00 C ATOM 844 CD ARG A 57 6.633 11.157 -5.342 1.00 0.00 C ATOM 845 NE ARG A 57 7.816 11.713 -6.037 1.00 0.00 N ATOM 846 CZ ARG A 57 7.791 12.812 -6.802 1.00 0.00 C ATOM 847 NH1 ARG A 57 6.643 13.481 -6.975 1.00 0.00 N ATOM 848 NH2 ARG A 57 8.913 13.243 -7.394 1.00 0.00 N ATOM 0 H ARG A 57 7.380 7.725 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 57 5.918 10.269 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.749 8.389 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.950 9.938 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.670 10.540 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.703 9.352 -4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.942 10.729 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.098 11.953 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 57 8.707 11.228 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.789 13.153 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.623 14.318 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.787 12.734 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.893 14.080 -7.976 1.00 0.00 H new ATOM 862 N GLU A 58 3.704 8.957 -1.550 1.00 0.00 N ATOM 863 CA GLU A 58 2.555 8.224 -1.045 1.00 0.00 C ATOM 864 C GLU A 58 1.343 8.448 -1.952 1.00 0.00 C ATOM 865 O GLU A 58 1.353 9.338 -2.800 1.00 0.00 O ATOM 866 CB GLU A 58 2.242 8.623 0.398 1.00 0.00 C ATOM 867 CG GLU A 58 2.513 10.111 0.627 1.00 0.00 C ATOM 868 CD GLU A 58 1.466 10.974 -0.081 1.00 0.00 C ATOM 869 OE1 GLU A 58 0.268 10.761 0.203 1.00 0.00 O ATOM 870 OE2 GLU A 58 1.888 11.828 -0.891 1.00 0.00 O ATOM 0 H GLU A 58 3.514 9.927 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 58 2.795 7.161 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.199 8.401 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.848 8.030 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.504 10.326 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.507 10.364 0.259 1.00 0.00 H new ATOM 877 N LEU A 59 0.327 7.624 -1.741 1.00 0.00 N ATOM 878 CA LEU A 59 -0.891 7.721 -2.528 1.00 0.00 C ATOM 879 C LEU A 59 -2.085 7.913 -1.591 1.00 0.00 C ATOM 880 O LEU A 59 -2.091 7.398 -0.474 1.00 0.00 O ATOM 881 CB LEU A 59 -1.026 6.512 -3.456 1.00 0.00 C ATOM 882 CG LEU A 59 -2.078 6.629 -4.561 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.803 7.840 -5.454 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.173 5.332 -5.367 1.00 0.00 C ATOM 0 H LEU A 59 0.322 6.886 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.854 8.593 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.058 6.326 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.261 5.638 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.049 6.789 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.565 7.900 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.826 8.749 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.821 7.736 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.928 5.442 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.208 5.117 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.451 4.512 -4.705 1.00 0.00 H new ATOM 896 N ASP A 60 -3.067 8.656 -2.081 1.00 0.00 N ATOM 897 CA ASP A 60 -4.264 8.922 -1.301 1.00 0.00 C ATOM 898 C ASP A 60 -4.922 7.596 -0.916 1.00 0.00 C ATOM 899 O ASP A 60 -4.905 6.642 -1.692 1.00 0.00 O ATOM 900 CB ASP A 60 -5.277 9.736 -2.109 1.00 0.00 C ATOM 901 CG ASP A 60 -5.261 9.475 -3.616 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.369 10.044 -4.281 1.00 0.00 O ATOM 903 OD2 ASP A 60 -6.142 8.713 -4.069 1.00 0.00 O ATOM 0 H ASP A 60 -3.058 9.082 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.972 9.486 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.276 9.524 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.089 10.796 -1.937 1.00 0.00 H new ATOM 908 N TRP A 61 -5.486 7.579 0.283 1.00 0.00 N ATOM 909 CA TRP A 61 -6.149 6.386 0.781 1.00 0.00 C ATOM 910 C TRP A 61 -7.199 5.964 -0.248 1.00 0.00 C ATOM 911 O TRP A 61 -7.157 4.847 -0.762 1.00 0.00 O ATOM 912 CB TRP A 61 -6.738 6.626 2.173 1.00 0.00 C ATOM 913 CG TRP A 61 -8.170 6.114 2.339 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.228 6.770 2.835 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.661 4.803 1.988 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.360 5.981 2.828 1.00 0.00 N ATOM 917 CE2 TRP A 61 -10.004 4.747 2.297 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.991 3.701 1.427 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.794 3.611 2.081 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.794 2.574 1.218 1.00 0.00 C ATOM 921 CH2 TRP A 61 -10.148 2.501 1.524 1.00 0.00 C ATOM 0 H TRP A 61 -5.497 8.372 0.924 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.435 5.571 0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.102 6.142 2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.718 7.695 2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.198 7.788 3.195 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.288 6.253 3.153 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.940 3.723 1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.845 3.592 2.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.329 1.699 0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.699 1.592 1.333 1.00 0.00 H new ATOM 932 N PRO A 62 -8.142 6.904 -0.525 1.00 0.00 N ATOM 933 CA PRO A 62 -9.202 6.641 -1.484 1.00 0.00 C ATOM 934 C PRO A 62 -8.672 6.700 -2.917 1.00 0.00 C ATOM 935 O PRO A 62 -8.403 7.781 -3.440 1.00 0.00 O ATOM 936 CB PRO A 62 -10.261 7.694 -1.198 1.00 0.00 C ATOM 937 CG PRO A 62 -9.559 8.788 -0.410 1.00 0.00 C ATOM 938 CD PRO A 62 -8.224 8.237 0.064 1.00 0.00 C ATOM 0 HA PRO A 62 -9.619 5.639 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.681 8.087 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.088 7.271 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.409 9.670 -1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.168 9.097 0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.397 8.866 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.178 8.192 1.152 1.00 0.00 H new ATOM 946 N PHE A 63 -8.537 5.524 -3.514 1.00 0.00 N ATOM 947 CA PHE A 63 -8.044 5.429 -4.877 1.00 0.00 C ATOM 948 C PHE A 63 -8.782 4.336 -5.652 1.00 0.00 C ATOM 949 O PHE A 63 -9.765 3.780 -5.164 1.00 0.00 O ATOM 950 CB PHE A 63 -6.560 5.063 -4.791 1.00 0.00 C ATOM 951 CG PHE A 63 -6.215 4.132 -3.627 1.00 0.00 C ATOM 952 CD1 PHE A 63 -7.060 3.120 -3.292 1.00 0.00 C ATOM 953 CD2 PHE A 63 -5.064 4.316 -2.927 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.740 2.256 -2.212 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.744 3.452 -1.847 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.588 2.440 -1.512 1.00 0.00 C ATOM 0 H PHE A 63 -8.761 4.629 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.201 6.374 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.259 4.588 -5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.976 5.978 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.974 2.974 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.393 5.120 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.411 1.453 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.830 3.599 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.344 1.783 -0.691 1.00 0.00 H new ATOM 966 N ASP A 64 -8.280 4.060 -6.847 1.00 0.00 N ATOM 967 CA ASP A 64 -8.880 3.044 -7.694 1.00 0.00 C ATOM 968 C ASP A 64 -7.806 2.041 -8.119 1.00 0.00 C ATOM 969 O ASP A 64 -6.678 2.090 -7.631 1.00 0.00 O ATOM 970 CB ASP A 64 -9.476 3.663 -8.960 1.00 0.00 C ATOM 971 CG ASP A 64 -10.313 4.924 -8.731 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.691 5.149 -7.561 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.555 5.633 -9.732 1.00 0.00 O ATOM 0 H ASP A 64 -7.464 4.523 -7.248 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.671 2.555 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.664 3.904 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.099 2.916 -9.453 1.00 0.00 H new ATOM 978 N ALA A 65 -8.194 1.154 -9.024 1.00 0.00 N ATOM 979 CA ALA A 65 -7.278 0.142 -9.520 1.00 0.00 C ATOM 980 C ALA A 65 -6.326 0.775 -10.537 1.00 0.00 C ATOM 981 O ALA A 65 -5.111 0.609 -10.443 1.00 0.00 O ATOM 982 CB ALA A 65 -8.075 -1.022 -10.113 1.00 0.00 C ATOM 0 H ALA A 65 -9.131 1.116 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.672 -0.258 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.387 -1.781 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.713 -1.456 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.693 -0.659 -10.934 1.00 0.00 H new ATOM 988 N PRO A 66 -6.930 1.506 -11.512 1.00 0.00 N ATOM 989 CA PRO A 66 -6.150 2.165 -12.545 1.00 0.00 C ATOM 990 C PRO A 66 -5.452 3.411 -11.995 1.00 0.00 C ATOM 991 O PRO A 66 -4.466 3.876 -12.564 1.00 0.00 O ATOM 992 CB PRO A 66 -7.146 2.481 -13.649 1.00 0.00 C ATOM 993 CG PRO A 66 -8.520 2.410 -13.003 1.00 0.00 C ATOM 994 CD PRO A 66 -8.367 1.725 -11.655 1.00 0.00 C ATOM 0 HA PRO A 66 -5.341 1.540 -12.923 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.963 3.470 -14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.062 1.766 -14.468 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.935 3.410 -12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.212 1.855 -13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.755 2.347 -10.848 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.916 0.784 -11.624 1.00 0.00 H new ATOM 1002 N ARG A 67 -5.991 3.915 -10.895 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.432 5.097 -10.261 1.00 0.00 C ATOM 1004 C ARG A 67 -4.259 4.711 -9.359 1.00 0.00 C ATOM 1005 O ARG A 67 -3.314 5.482 -9.199 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.488 5.827 -9.429 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.397 7.341 -9.634 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.780 7.990 -9.551 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.064 8.736 -10.797 1.00 0.00 N ATOM 1010 CZ ARG A 67 -7.436 9.862 -11.159 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -6.483 10.380 -10.372 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -7.759 10.471 -12.308 1.00 0.00 N ATOM 0 H ARG A 67 -6.809 3.526 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.084 5.763 -11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.482 5.478 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.352 5.590 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.742 7.775 -8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.949 7.554 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.541 7.225 -9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.824 8.664 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.784 8.369 -11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.236 9.917 -9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.004 11.238 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.484 10.077 -12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.280 11.329 -12.583 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.357 3.518 -8.791 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.316 3.020 -7.909 1.00 0.00 C ATOM 1028 C LEU A 68 -2.154 2.487 -8.748 1.00 0.00 C ATOM 1029 O LEU A 68 -0.990 2.681 -8.399 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.889 1.994 -6.930 1.00 0.00 C ATOM 1031 CG LEU A 68 -2.972 1.584 -5.775 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.457 2.181 -4.452 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.832 0.062 -5.700 1.00 0.00 C ATOM 0 H LEU A 68 -5.143 2.881 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.920 3.828 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.811 2.397 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.158 1.098 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.979 1.990 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.788 1.875 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.463 3.269 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.466 1.826 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.175 -0.203 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.813 -0.386 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.408 -0.311 -6.632 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.509 1.826 -9.840 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.509 1.263 -10.733 1.00 0.00 C ATOM 1047 C ARG A 69 -0.780 2.379 -11.484 1.00 0.00 C ATOM 1048 O ARG A 69 0.449 2.404 -11.524 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.149 0.310 -11.745 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.102 -0.243 -12.714 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.713 -1.675 -12.343 1.00 0.00 C ATOM 1052 NE ARG A 69 0.591 -2.019 -12.950 1.00 0.00 N ATOM 1053 CZ ARG A 69 1.752 -1.440 -12.615 1.00 0.00 C ATOM 1054 NH1 ARG A 69 1.778 -0.485 -11.675 1.00 0.00 N ATOM 1055 NH2 ARG A 69 2.888 -1.816 -13.219 1.00 0.00 N ATOM 0 H ARG A 69 -3.475 1.667 -10.127 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.797 0.705 -10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.634 -0.513 -11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.925 0.834 -12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.495 -0.221 -13.731 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.217 0.393 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.657 -1.776 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.479 -2.370 -12.688 1.00 0.00 H new ATOM 0 HE ARG A 69 0.608 -2.742 -13.669 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.914 -0.199 -11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.662 -0.044 -11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.869 -2.543 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.772 -1.375 -12.964 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.568 3.274 -12.060 1.00 0.00 N ATOM 1070 CA ALA A 70 -1.013 4.390 -12.807 1.00 0.00 C ATOM 1071 C ALA A 70 -0.064 5.181 -11.905 1.00 0.00 C ATOM 1072 O ALA A 70 0.906 5.769 -12.381 1.00 0.00 O ATOM 1073 CB ALA A 70 -2.150 5.253 -13.357 1.00 0.00 C ATOM 0 H ALA A 70 -2.587 3.249 -12.025 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.435 4.031 -13.659 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.733 6.090 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.777 4.652 -14.015 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.751 5.633 -12.531 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.376 5.170 -10.617 1.00 0.00 N ATOM 1080 CA TRP A 71 0.436 5.879 -9.643 1.00 0.00 C ATOM 1081 C TRP A 71 1.724 5.080 -9.432 1.00 0.00 C ATOM 1082 O TRP A 71 2.798 5.659 -9.274 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.341 6.113 -8.347 1.00 0.00 C ATOM 1084 CG TRP A 71 0.487 6.754 -7.232 1.00 0.00 C ATOM 1085 CD1 TRP A 71 0.799 8.048 -7.076 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.099 6.074 -6.116 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.566 8.251 -5.946 1.00 0.00 N ATOM 1088 CE2 TRP A 71 1.753 7.012 -5.344 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.100 4.711 -5.770 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.457 6.689 -4.177 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.808 4.404 -4.602 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.472 5.337 -3.814 1.00 0.00 C ATOM 0 H TRP A 71 -1.181 4.681 -10.225 1.00 0.00 H new ATOM 0 HA TRP A 71 0.697 6.872 -10.008 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.199 6.750 -8.560 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.732 5.159 -7.993 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.489 8.833 -7.750 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.928 9.145 -5.614 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.594 3.960 -6.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.961 7.442 -3.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.841 3.370 -4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.997 5.020 -2.925 1.00 0.00 H new ATOM 1103 N LEU A 72 1.574 3.764 -9.435 1.00 0.00 N ATOM 1104 CA LEU A 72 2.712 2.880 -9.245 1.00 0.00 C ATOM 1105 C LEU A 72 3.700 3.073 -10.398 1.00 0.00 C ATOM 1106 O LEU A 72 4.903 3.192 -10.176 1.00 0.00 O ATOM 1107 CB LEU A 72 2.244 1.434 -9.071 1.00 0.00 C ATOM 1108 CG LEU A 72 1.584 1.099 -7.733 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.506 0.027 -7.906 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.629 0.699 -6.690 1.00 0.00 C ATOM 0 H LEU A 72 0.681 3.288 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 72 3.241 3.132 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.539 1.203 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.103 0.777 -9.204 1.00 0.00 H new ATOM 0 HG LEU A 72 1.088 1.997 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.053 -0.192 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.260 0.389 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.956 -0.880 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.132 0.466 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.174 -0.178 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.326 1.523 -6.538 1.00 0.00 H new ATOM 1122 N ASP A 73 3.153 3.098 -11.605 1.00 0.00 N ATOM 1123 CA ASP A 73 3.971 3.274 -12.793 1.00 0.00 C ATOM 1124 C ASP A 73 4.388 4.742 -12.907 1.00 0.00 C ATOM 1125 O ASP A 73 5.190 5.098 -13.769 1.00 0.00 O ATOM 1126 CB ASP A 73 3.193 2.904 -14.057 1.00 0.00 C ATOM 1127 CG ASP A 73 3.770 1.731 -14.851 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.845 1.930 -15.459 1.00 0.00 O ATOM 1129 OD2 ASP A 73 3.124 0.661 -14.834 1.00 0.00 O ATOM 0 H ASP A 73 2.154 2.999 -11.785 1.00 0.00 H new ATOM 0 HA ASP A 73 4.842 2.624 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.167 2.664 -13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.150 3.777 -14.708 1.00 0.00 H new ATOM 1134 N ALA A 74 3.824 5.554 -12.025 1.00 0.00 N ATOM 1135 CA ALA A 74 4.127 6.975 -12.016 1.00 0.00 C ATOM 1136 C ALA A 74 5.293 7.238 -11.061 1.00 0.00 C ATOM 1137 O ALA A 74 5.945 8.278 -11.142 1.00 0.00 O ATOM 1138 CB ALA A 74 2.872 7.762 -11.634 1.00 0.00 C ATOM 0 H ALA A 74 3.159 5.255 -11.312 1.00 0.00 H new ATOM 0 HA ALA A 74 4.432 7.308 -13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.099 8.828 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.083 7.564 -12.360 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.538 7.456 -10.643 1.00 0.00 H new ATOM 1144 N ALA A 75 5.521 6.277 -10.178 1.00 0.00 N ATOM 1145 CA ALA A 75 6.597 6.391 -9.208 1.00 0.00 C ATOM 1146 C ALA A 75 7.893 6.760 -9.932 1.00 0.00 C ATOM 1147 O ALA A 75 8.555 7.732 -9.570 1.00 0.00 O ATOM 1148 CB ALA A 75 6.719 5.082 -8.424 1.00 0.00 C ATOM 0 H ALA A 75 4.979 5.415 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 75 6.384 7.182 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.526 5.168 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.782 4.880 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.936 4.265 -9.112 1.00 0.00 H new ATOM 1154 N PRO A 76 8.225 5.945 -10.969 1.00 0.00 N ATOM 1155 CA PRO A 76 9.430 6.176 -11.747 1.00 0.00 C ATOM 1156 C PRO A 76 9.251 7.365 -12.693 1.00 0.00 C ATOM 1157 O PRO A 76 8.182 7.972 -12.739 1.00 0.00 O ATOM 1158 CB PRO A 76 9.683 4.868 -12.478 1.00 0.00 C ATOM 1159 CG PRO A 76 8.365 4.111 -12.447 1.00 0.00 C ATOM 1160 CD PRO A 76 7.464 4.786 -11.426 1.00 0.00 C ATOM 0 HA PRO A 76 10.287 6.442 -11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.005 5.050 -13.503 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.473 4.296 -11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.898 4.117 -13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.530 3.067 -12.179 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.516 5.086 -11.872 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.230 4.115 -10.600 1.00 0.00 H new ATOM 1168 N HIS A 77 10.315 7.662 -13.426 1.00 0.00 N ATOM 1169 CA HIS A 77 10.289 8.767 -14.369 1.00 0.00 C ATOM 1170 C HIS A 77 10.112 10.084 -13.611 1.00 0.00 C ATOM 1171 O HIS A 77 9.846 11.122 -14.216 1.00 0.00 O ATOM 1172 CB HIS A 77 9.213 8.547 -15.434 1.00 0.00 C ATOM 1173 CG HIS A 77 9.543 9.159 -16.775 1.00 0.00 C ATOM 1174 ND1 HIS A 77 8.974 10.341 -17.220 1.00 0.00 N ATOM 1175 CD2 HIS A 77 10.387 8.743 -17.762 1.00 0.00 C ATOM 1176 CE1 HIS A 77 9.462 10.613 -18.421 1.00 0.00 C ATOM 1177 NE2 HIS A 77 10.336 9.621 -18.756 1.00 0.00 N ATOM 0 H HIS A 77 11.200 7.156 -13.386 1.00 0.00 H new ATOM 0 HA HIS A 77 11.239 8.819 -14.901 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.058 7.476 -15.563 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.272 8.965 -15.077 1.00 0.00 H new ATOM 0 HD2 HIS A 77 10.994 7.850 -17.739 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.212 11.470 -19.029 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.864 9.563 -19.627 1.00 0.00 H new ATOM 1185 N ALA A 78 10.267 10.000 -12.298 1.00 0.00 N ATOM 1186 CA ALA A 78 10.128 11.172 -11.451 1.00 0.00 C ATOM 1187 C ALA A 78 10.787 12.371 -12.135 1.00 0.00 C ATOM 1188 O ALA A 78 11.942 12.295 -12.552 1.00 0.00 O ATOM 1189 CB ALA A 78 10.730 10.882 -10.075 1.00 0.00 C ATOM 0 H ALA A 78 10.488 9.138 -11.800 1.00 0.00 H new ATOM 0 HA ALA A 78 9.076 11.415 -11.302 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.626 11.761 -9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.208 10.041 -9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.786 10.637 -10.184 1.00 0.00 H new TER 1195 ALA A 78