USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=9 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 Single : A 1 MET CE :methyl -118:sc= -0.0798 (180deg=-0.461) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0917 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -1:sc= 0.234! USER MOD Single : A 6 TYR OH : rot 15:sc= -0.079 USER MOD Single : A 7 GLN : amide:sc= -0.857 K(o=-0.86,f=-3.5!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.51) USER MOD Single : A 14 CYS SG : rot 180:sc=-0.000423 USER MOD Single : A 16 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -152:sc= -0.116! USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0871 K(o=-0.087,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.375 -1.193 1.347 1.00 0.00 N ATOM 2 CA MET A 1 12.764 -1.859 0.115 1.00 0.00 C ATOM 3 C MET A 1 11.600 -1.903 -0.876 1.00 0.00 C ATOM 4 O MET A 1 11.716 -1.411 -1.997 1.00 0.00 O ATOM 5 CB MET A 1 13.223 -3.285 0.429 1.00 0.00 C ATOM 6 CG MET A 1 14.638 -3.291 1.010 1.00 0.00 C ATOM 7 SD MET A 1 14.570 -3.486 2.782 1.00 0.00 S ATOM 8 CE MET A 1 14.075 -5.198 2.887 1.00 0.00 C ATOM 0 H1 MET A 1 12.716 -1.743 2.161 1.00 0.00 H new ATOM 0 H2 MET A 1 12.791 -0.240 1.373 1.00 0.00 H new ATOM 0 H3 MET A 1 11.339 -1.119 1.389 1.00 0.00 H new ATOM 0 HA MET A 1 13.580 -1.297 -0.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.534 -3.745 1.137 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.196 -3.887 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.218 -4.102 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.147 -2.361 0.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.107 -5.267 3.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.998 -5.617 1.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.817 -5.757 3.458 1.00 0.00 H new ATOM 18 N ALA A 2 10.504 -2.498 -0.427 1.00 0.00 N ATOM 19 CA ALA A 2 9.320 -2.612 -1.260 1.00 0.00 C ATOM 20 C ALA A 2 8.291 -1.568 -0.823 1.00 0.00 C ATOM 21 O ALA A 2 8.600 -0.681 -0.029 1.00 0.00 O ATOM 22 CB ALA A 2 8.773 -4.039 -1.177 1.00 0.00 C ATOM 0 H ALA A 2 10.412 -2.906 0.503 1.00 0.00 H new ATOM 0 HA ALA A 2 9.565 -2.416 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.884 -4.125 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.531 -4.740 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.513 -4.270 -0.144 1.00 0.00 H new ATOM 28 N LEU A 3 7.088 -1.707 -1.362 1.00 0.00 N ATOM 29 CA LEU A 3 6.012 -0.786 -1.037 1.00 0.00 C ATOM 30 C LEU A 3 5.732 -0.845 0.465 1.00 0.00 C ATOM 31 O LEU A 3 6.343 -1.634 1.184 1.00 0.00 O ATOM 32 CB LEU A 3 4.784 -1.071 -1.904 1.00 0.00 C ATOM 33 CG LEU A 3 4.925 -0.752 -3.394 1.00 0.00 C ATOM 34 CD1 LEU A 3 3.877 -1.505 -4.217 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.871 0.757 -3.639 1.00 0.00 C ATOM 0 H LEU A 3 6.835 -2.443 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 3 6.305 0.239 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.528 -2.126 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.944 -0.500 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 3 5.904 -1.097 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.999 -1.261 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.006 -2.578 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.879 -1.213 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.974 0.956 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.917 1.149 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.684 1.243 -3.099 1.00 0.00 H new ATOM 47 N THR A 4 4.807 0.001 0.896 1.00 0.00 N ATOM 48 CA THR A 4 4.438 0.055 2.301 1.00 0.00 C ATOM 49 C THR A 4 3.016 0.597 2.458 1.00 0.00 C ATOM 50 O THR A 4 2.750 1.754 2.136 1.00 0.00 O ATOM 51 CB THR A 4 5.491 0.887 3.034 1.00 0.00 C ATOM 52 OG1 THR A 4 6.652 0.061 3.030 1.00 0.00 O ATOM 53 CG2 THR A 4 5.166 1.066 4.519 1.00 0.00 C ATOM 0 H THR A 4 4.302 0.654 0.297 1.00 0.00 H new ATOM 0 HA THR A 4 4.423 -0.940 2.745 1.00 0.00 H new ATOM 0 HB THR A 4 5.575 1.865 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.448 -0.788 2.586 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.945 1.664 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.206 1.572 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.115 0.089 5.001 1.00 0.00 H new ATOM 61 N LEU A 5 2.140 -0.264 2.954 1.00 0.00 N ATOM 62 CA LEU A 5 0.752 0.114 3.158 1.00 0.00 C ATOM 63 C LEU A 5 0.422 0.042 4.650 1.00 0.00 C ATOM 64 O LEU A 5 0.192 -1.041 5.186 1.00 0.00 O ATOM 65 CB LEU A 5 -0.170 -0.737 2.282 1.00 0.00 C ATOM 66 CG LEU A 5 -1.648 -0.745 2.675 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.395 0.421 2.026 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.295 -2.093 2.348 1.00 0.00 C ATOM 0 H LEU A 5 2.365 -1.223 3.221 1.00 0.00 H new ATOM 0 HA LEU A 5 0.588 1.145 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.090 -0.384 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.195 -1.764 2.296 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.715 -0.609 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.444 0.391 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.953 1.363 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.322 0.341 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.346 -2.072 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.217 -2.284 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.784 -2.884 2.896 1.00 0.00 H new ATOM 80 N TYR A 6 0.411 1.208 5.278 1.00 0.00 N ATOM 81 CA TYR A 6 0.113 1.291 6.698 1.00 0.00 C ATOM 82 C TYR A 6 -1.333 0.877 6.980 1.00 0.00 C ATOM 83 O TYR A 6 -2.252 1.305 6.284 1.00 0.00 O ATOM 84 CB TYR A 6 0.294 2.760 7.082 1.00 0.00 C ATOM 85 CG TYR A 6 1.678 3.324 6.751 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.752 3.042 7.571 1.00 0.00 C ATOM 87 CD2 TYR A 6 1.851 4.114 5.633 1.00 0.00 C ATOM 88 CE1 TYR A 6 4.054 3.572 7.260 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.153 4.644 5.322 1.00 0.00 C ATOM 90 CZ TYR A 6 4.190 4.347 6.150 1.00 0.00 C ATOM 91 OH TYR A 6 5.420 4.848 5.856 1.00 0.00 O ATOM 0 H TYR A 6 0.604 2.104 4.830 1.00 0.00 H new ATOM 0 HA TYR A 6 0.765 0.627 7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.462 3.355 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.114 2.870 8.151 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.616 2.424 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.010 4.335 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.903 3.359 7.893 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.303 5.264 4.450 1.00 0.00 H new ATOM 0 HH TYR A 6 6.100 4.374 6.379 1.00 0.00 H new ATOM 101 N GLN A 7 -1.489 0.048 8.002 1.00 0.00 N ATOM 102 CA GLN A 7 -2.807 -0.428 8.385 1.00 0.00 C ATOM 103 C GLN A 7 -2.750 -1.101 9.758 1.00 0.00 C ATOM 104 O GLN A 7 -1.681 -1.506 10.211 1.00 0.00 O ATOM 105 CB GLN A 7 -3.373 -1.381 7.330 1.00 0.00 C ATOM 106 CG GLN A 7 -2.801 -2.790 7.501 1.00 0.00 C ATOM 107 CD GLN A 7 -2.351 -3.366 6.157 1.00 0.00 C ATOM 108 OE1 GLN A 7 -1.763 -2.690 5.329 1.00 0.00 O ATOM 109 NE2 GLN A 7 -2.658 -4.649 5.988 1.00 0.00 N ATOM 0 H GLN A 7 -0.724 -0.306 8.576 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.477 0.429 8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.460 -1.414 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.138 -1.007 6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.957 -2.762 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -3.554 -3.441 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.152 -5.156 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.400 -5.126 5.124 1.00 0.00 H new ATOM 118 N ARG A 8 -3.915 -1.199 10.382 1.00 0.00 N ATOM 119 CA ARG A 8 -4.012 -1.816 11.694 1.00 0.00 C ATOM 120 C ARG A 8 -5.318 -2.604 11.816 1.00 0.00 C ATOM 121 O ARG A 8 -6.393 -2.016 11.929 1.00 0.00 O ATOM 122 CB ARG A 8 -3.953 -0.764 12.803 1.00 0.00 C ATOM 123 CG ARG A 8 -4.855 0.429 12.475 1.00 0.00 C ATOM 124 CD ARG A 8 -5.870 0.672 13.593 1.00 0.00 C ATOM 125 NE ARG A 8 -6.593 1.941 13.353 1.00 0.00 N ATOM 126 CZ ARG A 8 -7.660 2.343 14.057 1.00 0.00 C ATOM 127 NH1 ARG A 8 -8.133 1.578 15.051 1.00 0.00 N ATOM 128 NH2 ARG A 8 -8.253 3.509 13.769 1.00 0.00 N ATOM 0 H ARG A 8 -4.800 -0.861 10.003 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.165 -2.493 11.805 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.262 -1.209 13.749 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.926 -0.423 12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.246 1.321 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.379 0.246 11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.577 -0.156 13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.361 0.711 14.556 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.258 2.548 12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.681 0.691 15.271 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.945 1.883 15.587 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.892 4.092 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.065 3.814 14.305 1.00 0.00 H new ATOM 142 N ASP A 9 -5.182 -3.921 11.788 1.00 0.00 N ATOM 143 CA ASP A 9 -6.338 -4.795 11.894 1.00 0.00 C ATOM 144 C ASP A 9 -7.129 -4.748 10.585 1.00 0.00 C ATOM 145 O ASP A 9 -7.173 -3.715 9.919 1.00 0.00 O ATOM 146 CB ASP A 9 -7.267 -4.345 13.024 1.00 0.00 C ATOM 147 CG ASP A 9 -7.557 -5.409 14.084 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.756 -6.575 13.679 1.00 0.00 O ATOM 149 OD2 ASP A 9 -7.574 -5.033 15.276 1.00 0.00 O ATOM 0 H ASP A 9 -4.289 -4.405 11.693 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.980 -5.804 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.825 -3.477 13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.212 -4.019 12.589 1.00 0.00 H new ATOM 154 N ASP A 10 -7.733 -5.880 10.255 1.00 0.00 N ATOM 155 CA ASP A 10 -8.520 -5.982 9.038 1.00 0.00 C ATOM 156 C ASP A 10 -10.005 -5.854 9.384 1.00 0.00 C ATOM 157 O ASP A 10 -10.516 -6.593 10.224 1.00 0.00 O ATOM 158 CB ASP A 10 -8.308 -7.334 8.356 1.00 0.00 C ATOM 159 CG ASP A 10 -7.383 -8.297 9.103 1.00 0.00 C ATOM 160 OD1 ASP A 10 -7.877 -8.930 10.062 1.00 0.00 O ATOM 161 OD2 ASP A 10 -6.203 -8.380 8.699 1.00 0.00 O ATOM 0 H ASP A 10 -7.693 -6.735 10.810 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.204 -5.186 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.278 -7.814 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.900 -7.162 7.360 1.00 0.00 H new ATOM 166 N CYS A 11 -10.656 -4.912 8.718 1.00 0.00 N ATOM 167 CA CYS A 11 -12.072 -4.678 8.944 1.00 0.00 C ATOM 168 C CYS A 11 -12.771 -4.611 7.584 1.00 0.00 C ATOM 169 O CYS A 11 -13.581 -5.476 7.255 1.00 0.00 O ATOM 170 CB CYS A 11 -12.312 -3.414 9.772 1.00 0.00 C ATOM 171 SG CYS A 11 -12.328 -3.828 11.555 1.00 0.00 S ATOM 0 H CYS A 11 -10.229 -4.302 8.021 1.00 0.00 H new ATOM 0 HA CYS A 11 -12.490 -5.499 9.526 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -11.531 -2.681 9.567 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.260 -2.957 9.488 1.00 0.00 H new ATOM 0 HG CYS A 11 -12.530 -2.748 12.250 1.00 0.00 H new ATOM 177 N HIS A 12 -12.433 -3.574 6.832 1.00 0.00 N ATOM 178 CA HIS A 12 -13.017 -3.382 5.515 1.00 0.00 C ATOM 179 C HIS A 12 -12.260 -2.280 4.773 1.00 0.00 C ATOM 180 O HIS A 12 -11.710 -2.515 3.698 1.00 0.00 O ATOM 181 CB HIS A 12 -14.518 -3.102 5.623 1.00 0.00 C ATOM 182 CG HIS A 12 -15.390 -4.268 5.224 1.00 0.00 C ATOM 183 ND1 HIS A 12 -15.214 -4.967 4.043 1.00 0.00 N ATOM 184 CD2 HIS A 12 -16.446 -4.851 5.863 1.00 0.00 C ATOM 185 CE1 HIS A 12 -16.128 -5.924 3.982 1.00 0.00 C ATOM 186 NE2 HIS A 12 -16.891 -5.850 5.111 1.00 0.00 N ATOM 0 H HIS A 12 -11.762 -2.858 7.109 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.918 -4.298 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.752 -2.821 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.764 -2.246 4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.851 -4.550 6.818 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.248 -6.637 3.180 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -17.674 -6.462 5.339 1.00 0.00 H new ATOM 194 N LEU A 13 -12.256 -1.100 5.376 1.00 0.00 N ATOM 195 CA LEU A 13 -11.576 0.040 4.785 1.00 0.00 C ATOM 196 C LEU A 13 -10.199 -0.398 4.283 1.00 0.00 C ATOM 197 O LEU A 13 -9.804 -0.059 3.168 1.00 0.00 O ATOM 198 CB LEU A 13 -11.527 1.206 5.775 1.00 0.00 C ATOM 199 CG LEU A 13 -11.045 2.544 5.211 1.00 0.00 C ATOM 200 CD1 LEU A 13 -12.227 3.438 4.832 1.00 0.00 C ATOM 201 CD2 LEU A 13 -10.091 3.238 6.185 1.00 0.00 C ATOM 0 H LEU A 13 -12.713 -0.909 6.268 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.129 0.408 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -12.525 1.347 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.875 0.927 6.603 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.485 2.347 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.856 4.382 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.833 2.939 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.835 3.631 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.763 4.187 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.605 3.422 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.224 2.601 6.362 1.00 0.00 H new ATOM 213 N CYS A 14 -9.505 -1.145 5.129 1.00 0.00 N ATOM 214 CA CYS A 14 -8.181 -1.632 4.785 1.00 0.00 C ATOM 215 C CYS A 14 -8.325 -2.662 3.662 1.00 0.00 C ATOM 216 O CYS A 14 -7.549 -2.657 2.708 1.00 0.00 O ATOM 217 CB CYS A 14 -7.457 -2.212 6.002 1.00 0.00 C ATOM 218 SG CYS A 14 -5.942 -3.090 5.470 1.00 0.00 S ATOM 0 H CYS A 14 -9.836 -1.425 6.053 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.564 -0.802 4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.199 -1.413 6.697 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.116 -2.897 6.535 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.334 -3.577 6.511 1.00 0.00 H new ATOM 224 N ASP A 15 -9.323 -3.520 3.814 1.00 0.00 N ATOM 225 CA ASP A 15 -9.578 -4.554 2.826 1.00 0.00 C ATOM 226 C ASP A 15 -9.706 -3.910 1.443 1.00 0.00 C ATOM 227 O ASP A 15 -9.161 -4.418 0.465 1.00 0.00 O ATOM 228 CB ASP A 15 -10.884 -5.292 3.126 1.00 0.00 C ATOM 229 CG ASP A 15 -11.103 -6.572 2.317 1.00 0.00 C ATOM 230 OD1 ASP A 15 -10.210 -7.445 2.381 1.00 0.00 O ATOM 231 OD2 ASP A 15 -12.159 -6.650 1.652 1.00 0.00 O ATOM 0 H ASP A 15 -9.965 -3.520 4.607 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.749 -5.261 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.907 -5.542 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.718 -4.615 2.940 1.00 0.00 H new ATOM 236 N GLN A 16 -10.431 -2.801 1.407 1.00 0.00 N ATOM 237 CA GLN A 16 -10.637 -2.083 0.161 1.00 0.00 C ATOM 238 C GLN A 16 -9.297 -1.614 -0.410 1.00 0.00 C ATOM 239 O GLN A 16 -9.089 -1.647 -1.622 1.00 0.00 O ATOM 240 CB GLN A 16 -11.591 -0.903 0.359 1.00 0.00 C ATOM 241 CG GLN A 16 -13.021 -1.282 -0.033 1.00 0.00 C ATOM 242 CD GLN A 16 -13.761 -0.084 -0.630 1.00 0.00 C ATOM 243 OE1 GLN A 16 -13.491 0.359 -1.734 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.709 0.414 0.160 1.00 0.00 N ATOM 0 H GLN A 16 -10.883 -2.383 2.220 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.097 -2.764 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.568 -0.583 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.258 -0.057 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.000 -2.098 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.558 -1.646 0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.884 -0.005 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.261 1.215 -0.148 1.00 0.00 H new ATOM 253 N ALA A 17 -8.423 -1.189 0.490 1.00 0.00 N ATOM 254 CA ALA A 17 -7.109 -0.715 0.091 1.00 0.00 C ATOM 255 C ALA A 17 -6.319 -1.871 -0.526 1.00 0.00 C ATOM 256 O ALA A 17 -5.698 -1.712 -1.576 1.00 0.00 O ATOM 257 CB ALA A 17 -6.398 -0.103 1.300 1.00 0.00 C ATOM 0 H ALA A 17 -8.599 -1.163 1.494 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.196 0.065 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.412 0.253 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.984 0.732 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.290 -0.858 2.079 1.00 0.00 H new ATOM 263 N VAL A 18 -6.370 -3.008 0.151 1.00 0.00 N ATOM 264 CA VAL A 18 -5.667 -4.190 -0.317 1.00 0.00 C ATOM 265 C VAL A 18 -6.259 -4.633 -1.657 1.00 0.00 C ATOM 266 O VAL A 18 -5.530 -5.055 -2.553 1.00 0.00 O ATOM 267 CB VAL A 18 -5.717 -5.286 0.749 1.00 0.00 C ATOM 268 CG1 VAL A 18 -4.998 -6.550 0.272 1.00 0.00 C ATOM 269 CG2 VAL A 18 -5.133 -4.790 2.073 1.00 0.00 C ATOM 0 H VAL A 18 -6.888 -3.136 1.021 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.614 -3.966 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.763 -5.540 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.049 -7.313 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.478 -6.922 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.955 -6.317 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.181 -5.588 2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.094 -4.494 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.707 -3.933 2.426 1.00 0.00 H new ATOM 279 N GLU A 19 -7.576 -4.520 -1.752 1.00 0.00 N ATOM 280 CA GLU A 19 -8.274 -4.903 -2.967 1.00 0.00 C ATOM 281 C GLU A 19 -7.720 -4.129 -4.164 1.00 0.00 C ATOM 282 O GLU A 19 -7.376 -4.721 -5.186 1.00 0.00 O ATOM 283 CB GLU A 19 -9.782 -4.687 -2.824 1.00 0.00 C ATOM 284 CG GLU A 19 -10.559 -5.923 -3.280 1.00 0.00 C ATOM 285 CD GLU A 19 -11.253 -5.672 -4.620 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.367 -5.105 -4.585 1.00 0.00 O ATOM 287 OE2 GLU A 19 -10.655 -6.052 -5.649 1.00 0.00 O ATOM 0 H GLU A 19 -8.178 -4.169 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.107 -5.966 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.024 -4.464 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.087 -3.823 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.880 -6.770 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.301 -6.189 -2.527 1.00 0.00 H new ATOM 294 N ALA A 20 -7.652 -2.816 -3.999 1.00 0.00 N ATOM 295 CA ALA A 20 -7.145 -1.954 -5.053 1.00 0.00 C ATOM 296 C ALA A 20 -5.740 -2.412 -5.449 1.00 0.00 C ATOM 297 O ALA A 20 -5.401 -2.436 -6.631 1.00 0.00 O ATOM 298 CB ALA A 20 -7.173 -0.499 -4.581 1.00 0.00 C ATOM 0 H ALA A 20 -7.940 -2.328 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.775 -2.021 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.793 0.147 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.197 -0.214 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.549 -0.392 -3.694 1.00 0.00 H new ATOM 304 N LEU A 21 -4.960 -2.764 -4.438 1.00 0.00 N ATOM 305 CA LEU A 21 -3.599 -3.220 -4.665 1.00 0.00 C ATOM 306 C LEU A 21 -3.624 -4.454 -5.570 1.00 0.00 C ATOM 307 O LEU A 21 -3.027 -4.451 -6.645 1.00 0.00 O ATOM 308 CB LEU A 21 -2.880 -3.448 -3.334 1.00 0.00 C ATOM 309 CG LEU A 21 -1.966 -2.315 -2.863 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.609 -2.477 -1.384 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.720 -2.214 -3.746 1.00 0.00 C ATOM 0 H LEU A 21 -5.245 -2.743 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.023 -2.454 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.631 -3.626 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.285 -4.358 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.508 -1.375 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.959 -1.659 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.520 -2.462 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.093 -3.426 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.087 -1.401 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.166 -3.152 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.019 -2.017 -4.776 1.00 0.00 H new ATOM 323 N ALA A 22 -4.320 -5.479 -5.100 1.00 0.00 N ATOM 324 CA ALA A 22 -4.430 -6.717 -5.853 1.00 0.00 C ATOM 325 C ALA A 22 -4.961 -6.411 -7.254 1.00 0.00 C ATOM 326 O ALA A 22 -4.426 -6.903 -8.246 1.00 0.00 O ATOM 327 CB ALA A 22 -5.322 -7.699 -5.092 1.00 0.00 C ATOM 0 H ALA A 22 -4.813 -5.477 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.453 -7.186 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.405 -8.628 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.885 -7.906 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.313 -7.264 -4.961 1.00 0.00 H new ATOM 333 N GLN A 23 -6.008 -5.600 -7.291 1.00 0.00 N ATOM 334 CA GLN A 23 -6.618 -5.222 -8.555 1.00 0.00 C ATOM 335 C GLN A 23 -5.582 -4.564 -9.469 1.00 0.00 C ATOM 336 O GLN A 23 -5.533 -4.851 -10.664 1.00 0.00 O ATOM 337 CB GLN A 23 -7.817 -4.298 -8.330 1.00 0.00 C ATOM 338 CG GLN A 23 -9.020 -5.080 -7.799 1.00 0.00 C ATOM 339 CD GLN A 23 -10.292 -4.719 -8.570 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.390 -3.683 -9.206 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.257 -5.629 -8.477 1.00 0.00 N ATOM 0 H GLN A 23 -6.450 -5.194 -6.466 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.983 -6.125 -9.044 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.548 -3.513 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.083 -3.807 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.830 -6.150 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.159 -4.865 -6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.109 -6.475 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.146 -5.481 -8.955 1.00 0.00 H new ATOM 350 N ALA A 24 -4.780 -3.695 -8.872 1.00 0.00 N ATOM 351 CA ALA A 24 -3.749 -2.994 -9.617 1.00 0.00 C ATOM 352 C ALA A 24 -2.609 -3.964 -9.936 1.00 0.00 C ATOM 353 O ALA A 24 -1.715 -3.641 -10.716 1.00 0.00 O ATOM 354 CB ALA A 24 -3.275 -1.780 -8.815 1.00 0.00 C ATOM 0 H ALA A 24 -4.824 -3.460 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.143 -2.625 -10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.501 -1.254 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.116 -1.109 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.870 -2.111 -7.859 1.00 0.00 H new ATOM 360 N ARG A 25 -2.677 -5.132 -9.315 1.00 0.00 N ATOM 361 CA ARG A 25 -1.662 -6.150 -9.522 1.00 0.00 C ATOM 362 C ARG A 25 -0.283 -5.614 -9.130 1.00 0.00 C ATOM 363 O ARG A 25 0.708 -5.887 -9.805 1.00 0.00 O ATOM 364 CB ARG A 25 -1.628 -6.605 -10.983 1.00 0.00 C ATOM 365 CG ARG A 25 -2.526 -7.824 -11.199 1.00 0.00 C ATOM 366 CD ARG A 25 -1.705 -9.043 -11.622 1.00 0.00 C ATOM 367 NE ARG A 25 -2.537 -9.957 -12.436 1.00 0.00 N ATOM 368 CZ ARG A 25 -2.222 -11.234 -12.689 1.00 0.00 C ATOM 369 NH1 ARG A 25 -1.092 -11.757 -12.194 1.00 0.00 N ATOM 370 NH2 ARG A 25 -3.038 -11.990 -13.438 1.00 0.00 N ATOM 0 H ARG A 25 -3.420 -5.396 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.916 -7.003 -8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.954 -5.790 -11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.604 -6.848 -11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.068 -8.048 -10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.271 -7.600 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.834 -8.724 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.333 -9.565 -10.740 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.404 -9.592 -12.829 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.471 -11.183 -11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.853 -12.730 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.898 -11.592 -13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.798 -12.962 -13.631 1.00 0.00 H new ATOM 384 N ALA A 26 -0.265 -4.860 -8.041 1.00 0.00 N ATOM 385 CA ALA A 26 0.975 -4.282 -7.551 1.00 0.00 C ATOM 386 C ALA A 26 1.999 -5.397 -7.328 1.00 0.00 C ATOM 387 O ALA A 26 3.100 -5.352 -7.875 1.00 0.00 O ATOM 388 CB ALA A 26 0.697 -3.483 -6.276 1.00 0.00 C ATOM 0 H ALA A 26 -1.089 -4.636 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 26 1.393 -3.592 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.627 -3.049 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.014 -2.686 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.279 -4.144 -5.516 1.00 0.00 H new ATOM 394 N GLY A 27 1.599 -6.372 -6.525 1.00 0.00 N ATOM 395 CA GLY A 27 2.468 -7.497 -6.224 1.00 0.00 C ATOM 396 C GLY A 27 2.670 -7.645 -4.714 1.00 0.00 C ATOM 397 O GLY A 27 1.735 -7.454 -3.938 1.00 0.00 O ATOM 0 H GLY A 27 0.685 -6.406 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.037 -8.413 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.433 -7.357 -6.712 1.00 0.00 H new ATOM 401 N ALA A 28 3.896 -7.985 -4.344 1.00 0.00 N ATOM 402 CA ALA A 28 4.232 -8.161 -2.941 1.00 0.00 C ATOM 403 C ALA A 28 4.699 -6.825 -2.361 1.00 0.00 C ATOM 404 O ALA A 28 5.188 -5.964 -3.092 1.00 0.00 O ATOM 405 CB ALA A 28 5.290 -9.258 -2.804 1.00 0.00 C ATOM 0 H ALA A 28 4.669 -8.143 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 28 3.357 -8.478 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.543 -9.391 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.898 -10.193 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.184 -8.973 -3.359 1.00 0.00 H new ATOM 411 N PHE A 29 4.531 -6.693 -1.054 1.00 0.00 N ATOM 412 CA PHE A 29 4.929 -5.475 -0.367 1.00 0.00 C ATOM 413 C PHE A 29 5.077 -5.717 1.136 1.00 0.00 C ATOM 414 O PHE A 29 4.996 -6.855 1.597 1.00 0.00 O ATOM 415 CB PHE A 29 3.820 -4.448 -0.600 1.00 0.00 C ATOM 416 CG PHE A 29 2.435 -4.914 -0.149 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.084 -4.834 1.163 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.554 -5.410 -1.059 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.798 -5.267 1.582 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.268 -5.844 -0.640 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.083 -5.763 0.671 1.00 0.00 C ATOM 0 H PHE A 29 4.125 -7.409 -0.452 1.00 0.00 H new ATOM 0 HA PHE A 29 5.890 -5.129 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.073 -3.529 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.782 -4.204 -1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.783 -4.441 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.832 -5.474 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.519 -5.203 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.431 -6.238 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.061 -6.092 0.989 1.00 0.00 H new ATOM 431 N PHE A 30 5.293 -4.628 1.860 1.00 0.00 N ATOM 432 CA PHE A 30 5.453 -4.707 3.302 1.00 0.00 C ATOM 433 C PHE A 30 4.290 -4.021 4.021 1.00 0.00 C ATOM 434 O PHE A 30 3.670 -3.109 3.476 1.00 0.00 O ATOM 435 CB PHE A 30 6.753 -3.979 3.648 1.00 0.00 C ATOM 436 CG PHE A 30 8.016 -4.802 3.386 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.229 -5.349 2.159 1.00 0.00 C ATOM 438 CD2 PHE A 30 8.926 -4.987 4.380 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.401 -6.112 1.915 1.00 0.00 C ATOM 440 CE2 PHE A 30 10.098 -5.750 4.136 1.00 0.00 C ATOM 441 CZ PHE A 30 10.311 -6.297 2.909 1.00 0.00 C ATOM 0 H PHE A 30 5.361 -3.686 1.474 1.00 0.00 H new ATOM 0 HA PHE A 30 5.475 -5.750 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.806 -3.057 3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.729 -3.694 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.506 -5.203 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.757 -4.554 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.570 -6.545 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.821 -5.896 4.925 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.202 -6.878 2.724 1.00 0.00 H new ATOM 451 N SER A 31 4.031 -4.484 5.235 1.00 0.00 N ATOM 452 CA SER A 31 2.954 -3.926 6.035 1.00 0.00 C ATOM 453 C SER A 31 3.519 -3.307 7.315 1.00 0.00 C ATOM 454 O SER A 31 4.482 -3.819 7.883 1.00 0.00 O ATOM 455 CB SER A 31 1.911 -4.993 6.376 1.00 0.00 C ATOM 456 OG SER A 31 1.157 -4.650 7.535 1.00 0.00 O ATOM 0 H SER A 31 4.549 -5.239 5.684 1.00 0.00 H new ATOM 0 HA SER A 31 2.461 -3.149 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.236 -5.124 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.409 -5.949 6.537 1.00 0.00 H new ATOM 0 HG SER A 31 0.501 -5.355 7.719 1.00 0.00 H new ATOM 462 N VAL A 32 2.896 -2.214 7.731 1.00 0.00 N ATOM 463 CA VAL A 32 3.325 -1.520 8.933 1.00 0.00 C ATOM 464 C VAL A 32 2.095 -1.110 9.746 1.00 0.00 C ATOM 465 O VAL A 32 1.144 -0.553 9.201 1.00 0.00 O ATOM 466 CB VAL A 32 4.219 -0.335 8.562 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.655 0.435 9.810 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.431 -0.795 7.750 1.00 0.00 C ATOM 0 H VAL A 32 2.097 -1.792 7.257 1.00 0.00 H new ATOM 0 HA VAL A 32 3.925 -2.178 9.561 1.00 0.00 H new ATOM 0 HB VAL A 32 3.636 0.342 7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.289 1.272 9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.775 0.811 10.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.212 -0.229 10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.050 0.067 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.016 -1.503 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.093 -1.278 6.833 1.00 0.00 H new ATOM 478 N PHE A 33 2.155 -1.402 11.037 1.00 0.00 N ATOM 479 CA PHE A 33 1.059 -1.071 11.931 1.00 0.00 C ATOM 480 C PHE A 33 1.285 0.288 12.597 1.00 0.00 C ATOM 481 O PHE A 33 2.358 0.546 13.141 1.00 0.00 O ATOM 482 CB PHE A 33 1.019 -2.154 13.010 1.00 0.00 C ATOM 483 CG PHE A 33 0.977 -3.581 12.459 1.00 0.00 C ATOM 484 CD1 PHE A 33 -0.146 -4.040 11.846 1.00 0.00 C ATOM 485 CD2 PHE A 33 2.064 -4.389 12.583 1.00 0.00 C ATOM 486 CE1 PHE A 33 -0.185 -5.364 11.334 1.00 0.00 C ATOM 487 CE2 PHE A 33 2.025 -5.713 12.071 1.00 0.00 C ATOM 488 CZ PHE A 33 0.902 -6.173 11.457 1.00 0.00 C ATOM 0 H PHE A 33 2.946 -1.864 11.485 1.00 0.00 H new ATOM 0 HA PHE A 33 0.125 -1.020 11.371 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.896 -2.048 13.649 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.144 -1.993 13.640 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.009 -3.398 11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.956 -4.024 13.070 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.077 -5.729 10.847 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.888 -6.355 12.169 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.873 -7.180 11.067 1.00 0.00 H new ATOM 498 N ILE A 34 0.257 1.122 12.532 1.00 0.00 N ATOM 499 CA ILE A 34 0.331 2.448 13.122 1.00 0.00 C ATOM 500 C ILE A 34 -0.035 2.362 14.605 1.00 0.00 C ATOM 501 O ILE A 34 0.290 3.260 15.381 1.00 0.00 O ATOM 502 CB ILE A 34 -0.532 3.434 12.332 1.00 0.00 C ATOM 503 CG1 ILE A 34 -2.017 3.238 12.646 1.00 0.00 C ATOM 504 CG2 ILE A 34 -0.246 3.334 10.832 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.701 4.579 12.916 1.00 0.00 C ATOM 0 H ILE A 34 -0.631 0.905 12.080 1.00 0.00 H new ATOM 0 HA ILE A 34 1.349 2.834 13.066 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.267 4.444 12.644 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.506 2.738 11.810 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.126 2.588 13.514 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.873 4.045 10.294 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.804 3.562 10.646 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.465 2.324 10.486 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.755 4.412 13.136 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.225 5.065 13.767 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.611 5.217 12.037 1.00 0.00 H new ATOM 517 N ASP A 35 -0.705 1.274 14.955 1.00 0.00 N ATOM 518 CA ASP A 35 -1.118 1.060 16.331 1.00 0.00 C ATOM 519 C ASP A 35 0.108 1.128 17.243 1.00 0.00 C ATOM 520 O ASP A 35 1.182 0.650 16.882 1.00 0.00 O ATOM 521 CB ASP A 35 -1.761 -0.317 16.505 1.00 0.00 C ATOM 522 CG ASP A 35 -2.042 -0.722 17.954 1.00 0.00 C ATOM 523 OD1 ASP A 35 -1.073 -0.710 18.744 1.00 0.00 O ATOM 524 OD2 ASP A 35 -3.218 -1.033 18.239 1.00 0.00 O ATOM 0 H ASP A 35 -0.972 0.531 14.309 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.843 1.832 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.699 -0.336 15.950 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.109 -1.065 16.055 1.00 0.00 H new ATOM 529 N ASP A 36 -0.093 1.726 18.408 1.00 0.00 N ATOM 530 CA ASP A 36 0.983 1.863 19.375 1.00 0.00 C ATOM 531 C ASP A 36 1.848 3.069 19.002 1.00 0.00 C ATOM 532 O ASP A 36 2.083 3.948 19.829 1.00 0.00 O ATOM 533 CB ASP A 36 1.878 0.623 19.382 1.00 0.00 C ATOM 534 CG ASP A 36 2.562 0.326 20.718 1.00 0.00 C ATOM 535 OD1 ASP A 36 2.539 1.230 21.581 1.00 0.00 O ATOM 536 OD2 ASP A 36 3.093 -0.798 20.846 1.00 0.00 O ATOM 0 H ASP A 36 -0.985 2.121 18.704 1.00 0.00 H new ATOM 0 HA ASP A 36 0.536 1.991 20.361 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.278 -0.241 19.098 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.645 0.743 18.617 1.00 0.00 H new ATOM 541 N ASP A 37 2.297 3.071 17.756 1.00 0.00 N ATOM 542 CA ASP A 37 3.131 4.154 17.263 1.00 0.00 C ATOM 543 C ASP A 37 2.298 5.435 17.177 1.00 0.00 C ATOM 544 O ASP A 37 1.624 5.675 16.177 1.00 0.00 O ATOM 545 CB ASP A 37 3.666 3.844 15.863 1.00 0.00 C ATOM 546 CG ASP A 37 5.077 3.253 15.827 1.00 0.00 C ATOM 547 OD1 ASP A 37 6.007 3.979 16.240 1.00 0.00 O ATOM 548 OD2 ASP A 37 5.194 2.089 15.387 1.00 0.00 O ATOM 0 H ASP A 37 2.099 2.340 17.073 1.00 0.00 H new ATOM 0 HA ASP A 37 3.968 4.275 17.951 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.984 3.147 15.376 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.658 4.762 15.276 1.00 0.00 H new ATOM 553 N ALA A 38 2.373 6.223 18.240 1.00 0.00 N ATOM 554 CA ALA A 38 1.634 7.473 18.297 1.00 0.00 C ATOM 555 C ALA A 38 2.102 8.389 17.165 1.00 0.00 C ATOM 556 O ALA A 38 1.309 9.145 16.605 1.00 0.00 O ATOM 557 CB ALA A 38 1.816 8.110 19.676 1.00 0.00 C ATOM 0 H ALA A 38 2.934 6.020 19.068 1.00 0.00 H new ATOM 0 HA ALA A 38 0.568 7.296 18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.262 9.048 19.720 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.442 7.431 20.443 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.874 8.305 19.850 1.00 0.00 H new ATOM 563 N ALA A 39 3.388 8.293 16.861 1.00 0.00 N ATOM 564 CA ALA A 39 3.971 9.104 15.806 1.00 0.00 C ATOM 565 C ALA A 39 3.256 8.807 14.487 1.00 0.00 C ATOM 566 O ALA A 39 2.864 9.725 13.768 1.00 0.00 O ATOM 567 CB ALA A 39 5.475 8.835 15.727 1.00 0.00 C ATOM 0 H ALA A 39 4.043 7.665 17.327 1.00 0.00 H new ATOM 0 HA ALA A 39 3.840 10.165 16.021 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.912 9.443 14.935 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.941 9.089 16.679 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.645 7.780 15.510 1.00 0.00 H new ATOM 573 N LEU A 40 3.107 7.520 14.208 1.00 0.00 N ATOM 574 CA LEU A 40 2.446 7.090 12.987 1.00 0.00 C ATOM 575 C LEU A 40 0.953 7.414 13.080 1.00 0.00 C ATOM 576 O LEU A 40 0.320 7.732 12.075 1.00 0.00 O ATOM 577 CB LEU A 40 2.739 5.615 12.710 1.00 0.00 C ATOM 578 CG LEU A 40 4.217 5.233 12.602 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.383 3.719 12.458 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.898 5.995 11.463 1.00 0.00 C ATOM 0 H LEU A 40 3.433 6.761 14.807 1.00 0.00 H new ATOM 0 HA LEU A 40 2.839 7.635 12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.288 5.020 13.504 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.243 5.335 11.781 1.00 0.00 H new ATOM 0 HG LEU A 40 4.714 5.525 13.527 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.443 3.475 12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.957 3.222 13.329 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.868 3.380 11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.947 5.705 11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.406 5.757 10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.827 7.067 11.649 1.00 0.00 H new ATOM 592 N GLU A 41 0.434 7.321 14.296 1.00 0.00 N ATOM 593 CA GLU A 41 -0.972 7.600 14.533 1.00 0.00 C ATOM 594 C GLU A 41 -1.271 9.077 14.272 1.00 0.00 C ATOM 595 O GLU A 41 -2.242 9.407 13.591 1.00 0.00 O ATOM 596 CB GLU A 41 -1.378 7.201 15.953 1.00 0.00 C ATOM 597 CG GLU A 41 -1.427 5.679 16.102 1.00 0.00 C ATOM 598 CD GLU A 41 -2.866 5.192 16.282 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.750 5.776 15.620 1.00 0.00 O ATOM 600 OE2 GLU A 41 -3.050 4.246 17.079 1.00 0.00 O ATOM 0 H GLU A 41 0.962 7.056 15.127 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.563 7.002 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.669 7.617 16.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.354 7.625 16.189 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.988 5.210 15.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.826 5.374 16.959 1.00 0.00 H new ATOM 607 N SER A 42 -0.420 9.928 14.827 1.00 0.00 N ATOM 608 CA SER A 42 -0.582 11.363 14.662 1.00 0.00 C ATOM 609 C SER A 42 -0.229 11.768 13.230 1.00 0.00 C ATOM 610 O SER A 42 -0.777 12.734 12.702 1.00 0.00 O ATOM 611 CB SER A 42 0.285 12.132 15.660 1.00 0.00 C ATOM 612 OG SER A 42 -0.475 13.075 16.412 1.00 0.00 O ATOM 0 H SER A 42 0.384 9.651 15.391 1.00 0.00 H new ATOM 0 HA SER A 42 -1.624 11.615 14.857 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.765 11.429 16.340 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.080 12.651 15.125 1.00 0.00 H new ATOM 0 HG SER A 42 0.114 13.544 17.039 1.00 0.00 H new ATOM 618 N ALA A 43 0.684 11.009 12.641 1.00 0.00 N ATOM 619 CA ALA A 43 1.116 11.277 11.280 1.00 0.00 C ATOM 620 C ALA A 43 -0.002 10.890 10.309 1.00 0.00 C ATOM 621 O ALA A 43 -0.224 11.571 9.310 1.00 0.00 O ATOM 622 CB ALA A 43 2.418 10.525 11.000 1.00 0.00 C ATOM 0 H ALA A 43 1.136 10.208 13.082 1.00 0.00 H new ATOM 0 HA ALA A 43 1.318 12.339 11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.742 10.726 9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.187 10.857 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.254 9.455 11.124 1.00 0.00 H new ATOM 628 N TYR A 44 -0.675 9.797 10.638 1.00 0.00 N ATOM 629 CA TYR A 44 -1.763 9.311 9.807 1.00 0.00 C ATOM 630 C TYR A 44 -3.097 9.386 10.553 1.00 0.00 C ATOM 631 O TYR A 44 -3.931 10.240 10.257 1.00 0.00 O ATOM 632 CB TYR A 44 -1.442 7.845 9.507 1.00 0.00 C ATOM 633 CG TYR A 44 -0.287 7.651 8.523 1.00 0.00 C ATOM 634 CD1 TYR A 44 -0.187 8.458 7.407 1.00 0.00 C ATOM 635 CD2 TYR A 44 0.655 6.668 8.750 1.00 0.00 C ATOM 636 CE1 TYR A 44 0.900 8.274 6.481 1.00 0.00 C ATOM 637 CE2 TYR A 44 1.742 6.485 7.824 1.00 0.00 C ATOM 638 CZ TYR A 44 1.811 7.297 6.735 1.00 0.00 C ATOM 639 OH TYR A 44 2.838 7.124 5.861 1.00 0.00 O ATOM 0 H TYR A 44 -0.488 9.235 11.468 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.854 9.913 8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.199 7.338 10.441 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.333 7.363 9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.924 9.227 7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.577 6.036 9.622 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.990 8.898 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.486 5.720 7.990 1.00 0.00 H new ATOM 0 HH TYR A 44 3.133 6.190 5.884 1.00 0.00 H new ATOM 649 N GLY A 45 -3.258 8.479 11.506 1.00 0.00 N ATOM 650 CA GLY A 45 -4.476 8.432 12.296 1.00 0.00 C ATOM 651 C GLY A 45 -5.685 8.093 11.421 1.00 0.00 C ATOM 652 O GLY A 45 -6.199 6.977 11.471 1.00 0.00 O ATOM 0 H GLY A 45 -2.565 7.771 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.373 7.687 13.085 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.634 9.394 12.784 1.00 0.00 H new ATOM 656 N LEU A 46 -6.103 9.077 10.638 1.00 0.00 N ATOM 657 CA LEU A 46 -7.241 8.898 9.753 1.00 0.00 C ATOM 658 C LEU A 46 -6.751 8.381 8.398 1.00 0.00 C ATOM 659 O LEU A 46 -7.457 7.634 7.723 1.00 0.00 O ATOM 660 CB LEU A 46 -8.057 10.188 9.660 1.00 0.00 C ATOM 661 CG LEU A 46 -9.433 10.161 10.328 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.353 9.147 9.646 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.308 9.902 11.831 1.00 0.00 C ATOM 0 H LEU A 46 -5.673 10.001 10.598 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.921 8.147 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.475 10.995 10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.191 10.434 8.607 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.891 11.143 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.325 9.148 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.479 9.417 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.912 8.152 9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.300 9.888 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.821 8.941 11.995 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.713 10.693 12.288 1.00 0.00 H new ATOM 675 N ARG A 47 -5.546 8.800 8.042 1.00 0.00 N ATOM 676 CA ARG A 47 -4.954 8.389 6.780 1.00 0.00 C ATOM 677 C ARG A 47 -4.156 7.097 6.964 1.00 0.00 C ATOM 678 O ARG A 47 -3.111 6.914 6.342 1.00 0.00 O ATOM 679 CB ARG A 47 -4.030 9.476 6.225 1.00 0.00 C ATOM 680 CG ARG A 47 -4.747 10.826 6.165 1.00 0.00 C ATOM 681 CD ARG A 47 -4.007 11.877 6.995 1.00 0.00 C ATOM 682 NE ARG A 47 -4.216 13.221 6.412 1.00 0.00 N ATOM 683 CZ ARG A 47 -5.356 13.917 6.516 1.00 0.00 C ATOM 684 NH1 ARG A 47 -6.398 13.400 7.182 1.00 0.00 N ATOM 685 NH2 ARG A 47 -5.455 15.130 5.955 1.00 0.00 N ATOM 0 H ARG A 47 -4.963 9.420 8.605 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.766 8.221 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.142 9.559 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.691 9.196 5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.817 11.159 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.767 10.717 6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.366 11.858 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.942 11.646 7.024 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.443 13.644 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.323 12.477 7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.266 13.930 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.662 15.524 5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.323 15.659 6.035 1.00 0.00 H new ATOM 699 N VAL A 48 -4.681 6.232 7.820 1.00 0.00 N ATOM 700 CA VAL A 48 -4.031 4.962 8.094 1.00 0.00 C ATOM 701 C VAL A 48 -3.733 4.251 6.772 1.00 0.00 C ATOM 702 O VAL A 48 -2.614 3.791 6.549 1.00 0.00 O ATOM 703 CB VAL A 48 -4.894 4.125 9.041 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.867 2.648 8.645 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.453 4.313 10.494 1.00 0.00 C ATOM 0 H VAL A 48 -5.549 6.386 8.333 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.079 5.122 8.600 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.923 4.475 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.488 2.075 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.251 2.536 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.842 2.279 8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.082 3.708 11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.414 4.003 10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.549 5.363 10.770 1.00 0.00 H new ATOM 715 N PRO A 49 -4.780 4.182 5.907 1.00 0.00 N ATOM 716 CA PRO A 49 -4.642 3.536 4.614 1.00 0.00 C ATOM 717 C PRO A 49 -3.854 4.416 3.642 1.00 0.00 C ATOM 718 O PRO A 49 -4.429 5.013 2.733 1.00 0.00 O ATOM 719 CB PRO A 49 -6.065 3.269 4.153 1.00 0.00 C ATOM 720 CG PRO A 49 -6.950 4.187 4.980 1.00 0.00 C ATOM 721 CD PRO A 49 -6.120 4.716 6.138 1.00 0.00 C ATOM 0 HA PRO A 49 -4.074 2.607 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.176 3.475 3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.335 2.224 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.322 5.010 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.821 3.646 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.114 5.806 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.519 4.383 7.096 1.00 0.00 H new ATOM 729 N VAL A 50 -2.549 4.470 3.867 1.00 0.00 N ATOM 730 CA VAL A 50 -1.676 5.268 3.023 1.00 0.00 C ATOM 731 C VAL A 50 -0.702 4.345 2.287 1.00 0.00 C ATOM 732 O VAL A 50 0.001 3.553 2.913 1.00 0.00 O ATOM 733 CB VAL A 50 -0.970 6.336 3.862 1.00 0.00 C ATOM 734 CG1 VAL A 50 0.325 6.794 3.188 1.00 0.00 C ATOM 735 CG2 VAL A 50 -1.897 7.522 4.132 1.00 0.00 C ATOM 0 H VAL A 50 -2.075 3.974 4.622 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.255 5.798 2.267 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.709 5.890 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.807 7.553 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.995 5.942 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.097 7.214 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.371 8.266 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.203 7.967 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.779 7.179 4.673 1.00 0.00 H new ATOM 745 N LEU A 51 -0.692 4.478 0.969 1.00 0.00 N ATOM 746 CA LEU A 51 0.183 3.666 0.142 1.00 0.00 C ATOM 747 C LEU A 51 1.500 4.412 -0.084 1.00 0.00 C ATOM 748 O LEU A 51 1.523 5.459 -0.729 1.00 0.00 O ATOM 749 CB LEU A 51 -0.525 3.263 -1.153 1.00 0.00 C ATOM 750 CG LEU A 51 0.098 2.097 -1.924 1.00 0.00 C ATOM 751 CD1 LEU A 51 1.136 1.367 -1.069 1.00 0.00 C ATOM 752 CD2 LEU A 51 -0.981 1.149 -2.450 1.00 0.00 C ATOM 0 H LEU A 51 -1.276 5.136 0.454 1.00 0.00 H new ATOM 0 HA LEU A 51 0.427 2.732 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.557 3.005 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.558 4.131 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 51 0.621 2.501 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.563 0.543 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.927 2.061 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.658 0.976 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.511 0.329 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.553 0.748 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.649 1.693 -3.118 1.00 0.00 H new ATOM 764 N ARG A 52 2.566 3.843 0.460 1.00 0.00 N ATOM 765 CA ARG A 52 3.884 4.440 0.326 1.00 0.00 C ATOM 766 C ARG A 52 4.772 3.573 -0.568 1.00 0.00 C ATOM 767 O ARG A 52 4.595 2.358 -0.633 1.00 0.00 O ATOM 768 CB ARG A 52 4.555 4.606 1.692 1.00 0.00 C ATOM 769 CG ARG A 52 5.801 5.487 1.587 1.00 0.00 C ATOM 770 CD ARG A 52 6.625 5.426 2.874 1.00 0.00 C ATOM 771 NE ARG A 52 8.043 5.145 2.554 1.00 0.00 N ATOM 772 CZ ARG A 52 8.921 4.627 3.425 1.00 0.00 C ATOM 773 NH1 ARG A 52 8.532 4.333 4.673 1.00 0.00 N ATOM 774 NH2 ARG A 52 10.187 4.405 3.047 1.00 0.00 N ATOM 0 H ARG A 52 2.544 2.975 0.995 1.00 0.00 H new ATOM 0 HA ARG A 52 3.757 5.424 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.850 5.049 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.829 3.628 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.411 5.161 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.507 6.517 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.545 6.371 3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.231 4.651 3.531 1.00 0.00 H new ATOM 0 HE ARG A 52 8.372 5.359 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.568 4.503 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.200 3.939 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.483 4.630 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.855 4.011 3.709 1.00 0.00 H new ATOM 788 N ASP A 53 5.707 4.232 -1.236 1.00 0.00 N ATOM 789 CA ASP A 53 6.623 3.537 -2.124 1.00 0.00 C ATOM 790 C ASP A 53 8.030 3.564 -1.523 1.00 0.00 C ATOM 791 O ASP A 53 8.283 4.285 -0.559 1.00 0.00 O ATOM 792 CB ASP A 53 6.682 4.214 -3.495 1.00 0.00 C ATOM 793 CG ASP A 53 6.004 3.441 -4.628 1.00 0.00 C ATOM 794 OD1 ASP A 53 4.777 3.230 -4.515 1.00 0.00 O ATOM 795 OD2 ASP A 53 6.727 3.079 -5.580 1.00 0.00 O ATOM 0 H ASP A 53 5.850 5.240 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 53 6.266 2.514 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.218 5.197 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.727 4.374 -3.760 1.00 0.00 H new ATOM 800 N PRO A 54 8.931 2.748 -2.132 1.00 0.00 N ATOM 801 CA PRO A 54 10.306 2.672 -1.667 1.00 0.00 C ATOM 802 C PRO A 54 11.095 3.914 -2.084 1.00 0.00 C ATOM 803 O PRO A 54 12.112 4.242 -1.474 1.00 0.00 O ATOM 804 CB PRO A 54 10.854 1.389 -2.270 1.00 0.00 C ATOM 805 CG PRO A 54 9.924 1.037 -3.419 1.00 0.00 C ATOM 806 CD PRO A 54 8.667 1.880 -3.276 1.00 0.00 C ATOM 0 HA PRO A 54 10.382 2.650 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.876 1.529 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.880 0.590 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.408 1.233 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.676 -0.024 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.475 2.461 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.789 1.257 -3.106 1.00 0.00 H new ATOM 814 N MET A 55 10.598 4.572 -3.121 1.00 0.00 N ATOM 815 CA MET A 55 11.244 5.771 -3.627 1.00 0.00 C ATOM 816 C MET A 55 11.083 6.935 -2.648 1.00 0.00 C ATOM 817 O MET A 55 12.044 7.648 -2.362 1.00 0.00 O ATOM 818 CB MET A 55 10.632 6.150 -4.977 1.00 0.00 C ATOM 819 CG MET A 55 11.366 5.457 -6.126 1.00 0.00 C ATOM 820 SD MET A 55 11.045 6.312 -7.660 1.00 0.00 S ATOM 821 CE MET A 55 12.510 7.327 -7.761 1.00 0.00 C ATOM 0 H MET A 55 9.755 4.297 -3.625 1.00 0.00 H new ATOM 0 HA MET A 55 12.308 5.565 -3.746 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.578 5.872 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.678 7.231 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 55 12.437 5.441 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.040 4.420 -6.203 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.473 7.931 -8.668 1.00 0.00 H new ATOM 0 HE2 MET A 55 12.560 7.982 -6.891 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.394 6.689 -7.786 1.00 0.00 H new ATOM 831 N GLY A 56 9.861 7.092 -2.160 1.00 0.00 N ATOM 832 CA GLY A 56 9.562 8.157 -1.219 1.00 0.00 C ATOM 833 C GLY A 56 8.323 8.942 -1.654 1.00 0.00 C ATOM 834 O GLY A 56 8.348 10.171 -1.704 1.00 0.00 O ATOM 0 H GLY A 56 9.066 6.499 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.400 7.736 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.416 8.831 -1.144 1.00 0.00 H new ATOM 838 N ARG A 57 7.269 8.200 -1.959 1.00 0.00 N ATOM 839 CA ARG A 57 6.022 8.811 -2.389 1.00 0.00 C ATOM 840 C ARG A 57 4.840 8.180 -1.651 1.00 0.00 C ATOM 841 O ARG A 57 4.919 7.035 -1.208 1.00 0.00 O ATOM 842 CB ARG A 57 5.820 8.647 -3.897 1.00 0.00 C ATOM 843 CG ARG A 57 7.125 8.896 -4.656 1.00 0.00 C ATOM 844 CD ARG A 57 6.856 9.567 -6.004 1.00 0.00 C ATOM 845 NE ARG A 57 7.542 10.877 -6.064 1.00 0.00 N ATOM 846 CZ ARG A 57 7.631 11.628 -7.170 1.00 0.00 C ATOM 847 NH1 ARG A 57 7.079 11.203 -8.315 1.00 0.00 N ATOM 848 NH2 ARG A 57 8.273 12.803 -7.131 1.00 0.00 N ATOM 0 H ARG A 57 7.252 7.181 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 57 6.075 9.874 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.457 7.642 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.056 9.343 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.783 9.525 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.644 7.951 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.205 8.927 -6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.784 9.702 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 57 7.974 11.230 -5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.591 10.308 -8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.147 11.775 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.694 13.126 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.341 13.375 -7.973 1.00 0.00 H new ATOM 862 N GLU A 58 3.770 8.954 -1.542 1.00 0.00 N ATOM 863 CA GLU A 58 2.573 8.486 -0.865 1.00 0.00 C ATOM 864 C GLU A 58 1.346 8.690 -1.756 1.00 0.00 C ATOM 865 O GLU A 58 1.332 9.578 -2.607 1.00 0.00 O ATOM 866 CB GLU A 58 2.395 9.187 0.482 1.00 0.00 C ATOM 867 CG GLU A 58 3.618 8.976 1.376 1.00 0.00 C ATOM 868 CD GLU A 58 3.398 9.589 2.761 1.00 0.00 C ATOM 869 OE1 GLU A 58 2.265 10.061 2.999 1.00 0.00 O ATOM 870 OE2 GLU A 58 4.367 9.571 3.550 1.00 0.00 O ATOM 0 H GLU A 58 3.707 9.903 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 58 2.683 7.419 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.236 10.254 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.505 8.803 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.821 7.910 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.495 9.426 0.911 1.00 0.00 H new ATOM 877 N LEU A 59 0.345 7.851 -1.531 1.00 0.00 N ATOM 878 CA LEU A 59 -0.884 7.929 -2.302 1.00 0.00 C ATOM 879 C LEU A 59 -2.071 8.078 -1.349 1.00 0.00 C ATOM 880 O LEU A 59 -2.068 7.515 -0.255 1.00 0.00 O ATOM 881 CB LEU A 59 -1.000 6.730 -3.246 1.00 0.00 C ATOM 882 CG LEU A 59 -2.089 6.823 -4.317 1.00 0.00 C ATOM 883 CD1 LEU A 59 -1.875 8.046 -5.212 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.173 5.528 -5.127 1.00 0.00 C ATOM 0 H LEU A 59 0.360 7.114 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.877 8.811 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.040 6.590 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.182 5.838 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.049 6.953 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.662 8.088 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.904 8.951 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.906 7.971 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.955 5.621 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.217 5.342 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.408 4.697 -4.462 1.00 0.00 H new ATOM 896 N ASP A 60 -3.059 8.839 -1.798 1.00 0.00 N ATOM 897 CA ASP A 60 -4.250 9.069 -0.998 1.00 0.00 C ATOM 898 C ASP A 60 -4.911 7.726 -0.678 1.00 0.00 C ATOM 899 O ASP A 60 -4.780 6.769 -1.439 1.00 0.00 O ATOM 900 CB ASP A 60 -5.265 9.927 -1.756 1.00 0.00 C ATOM 901 CG ASP A 60 -5.929 11.027 -0.926 1.00 0.00 C ATOM 902 OD1 ASP A 60 -5.329 11.401 0.105 1.00 0.00 O ATOM 903 OD2 ASP A 60 -7.022 11.469 -1.340 1.00 0.00 O ATOM 0 H ASP A 60 -3.059 9.304 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.950 9.586 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.765 10.387 -2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.042 9.276 -2.156 1.00 0.00 H new ATOM 908 N TRP A 61 -5.608 7.700 0.448 1.00 0.00 N ATOM 909 CA TRP A 61 -6.290 6.491 0.878 1.00 0.00 C ATOM 910 C TRP A 61 -7.319 6.123 -0.192 1.00 0.00 C ATOM 911 O TRP A 61 -7.333 4.996 -0.684 1.00 0.00 O ATOM 912 CB TRP A 61 -6.909 6.674 2.265 1.00 0.00 C ATOM 913 CG TRP A 61 -8.311 6.078 2.405 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.407 6.659 2.911 1.00 0.00 C ATOM 915 CD2 TRP A 61 -8.726 4.754 2.009 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.494 5.809 2.872 1.00 0.00 N ATOM 917 CE2 TRP A 61 -10.066 4.614 2.305 1.00 0.00 C ATOM 918 CE3 TRP A 61 -7.992 3.709 1.420 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -10.790 3.443 2.049 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.730 2.546 1.170 1.00 0.00 C ATOM 921 CH2 TRP A 61 -10.080 2.388 1.462 1.00 0.00 C ATOM 0 H TRP A 61 -5.715 8.497 1.076 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.585 5.666 0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.255 6.216 3.007 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.954 7.739 2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.436 7.666 3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.437 6.019 3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.943 3.797 1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.839 3.358 2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.214 1.712 0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.579 1.457 1.237 1.00 0.00 H new ATOM 932 N PRO A 62 -8.179 7.121 -0.530 1.00 0.00 N ATOM 933 CA PRO A 62 -9.210 6.914 -1.532 1.00 0.00 C ATOM 934 C PRO A 62 -8.611 6.906 -2.941 1.00 0.00 C ATOM 935 O PRO A 62 -8.191 7.946 -3.446 1.00 0.00 O ATOM 936 CB PRO A 62 -10.203 8.044 -1.315 1.00 0.00 C ATOM 937 CG PRO A 62 -9.462 9.102 -0.514 1.00 0.00 C ATOM 938 CD PRO A 62 -8.193 8.469 0.032 1.00 0.00 C ATOM 0 HA PRO A 62 -9.702 5.946 -1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.550 8.447 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.083 7.692 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.221 9.958 -1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.086 9.471 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.309 9.032 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.200 8.444 1.122 1.00 0.00 H new ATOM 946 N PHE A 63 -8.592 5.722 -3.535 1.00 0.00 N ATOM 947 CA PHE A 63 -8.052 5.565 -4.874 1.00 0.00 C ATOM 948 C PHE A 63 -8.789 4.463 -5.637 1.00 0.00 C ATOM 949 O PHE A 63 -9.759 3.897 -5.135 1.00 0.00 O ATOM 950 CB PHE A 63 -6.583 5.168 -4.721 1.00 0.00 C ATOM 951 CG PHE A 63 -6.294 4.318 -3.481 1.00 0.00 C ATOM 952 CD1 PHE A 63 -7.169 3.347 -3.104 1.00 0.00 C ATOM 953 CD2 PHE A 63 -5.164 4.534 -2.757 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.901 2.559 -1.954 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.896 3.745 -1.607 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.770 2.774 -1.230 1.00 0.00 C ATOM 0 H PHE A 63 -8.942 4.862 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.166 6.495 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.272 4.616 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.975 6.072 -4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.067 3.176 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.470 5.306 -3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.596 1.788 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.998 3.916 -1.032 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.566 2.174 -0.356 1.00 0.00 H new ATOM 966 N ASP A 64 -8.301 4.190 -6.838 1.00 0.00 N ATOM 967 CA ASP A 64 -8.901 3.166 -7.675 1.00 0.00 C ATOM 968 C ASP A 64 -7.830 2.151 -8.079 1.00 0.00 C ATOM 969 O ASP A 64 -6.702 2.206 -7.591 1.00 0.00 O ATOM 970 CB ASP A 64 -9.485 3.771 -8.954 1.00 0.00 C ATOM 971 CG ASP A 64 -10.322 5.035 -8.747 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.852 5.188 -7.626 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.413 5.820 -9.716 1.00 0.00 O ATOM 0 H ASP A 64 -7.496 4.661 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.698 2.690 -7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.666 4.003 -9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.104 3.019 -9.444 1.00 0.00 H new ATOM 978 N ALA A 65 -8.220 1.247 -8.966 1.00 0.00 N ATOM 979 CA ALA A 65 -7.307 0.222 -9.441 1.00 0.00 C ATOM 980 C ALA A 65 -6.351 0.832 -10.469 1.00 0.00 C ATOM 981 O ALA A 65 -5.137 0.659 -10.371 1.00 0.00 O ATOM 982 CB ALA A 65 -8.108 -0.949 -10.014 1.00 0.00 C ATOM 0 H ALA A 65 -9.156 1.203 -9.368 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.704 -0.165 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.423 -1.718 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.749 -1.366 -9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.723 -0.598 -10.843 1.00 0.00 H new ATOM 988 N PRO A 66 -6.950 1.551 -11.455 1.00 0.00 N ATOM 989 CA PRO A 66 -6.166 2.187 -12.499 1.00 0.00 C ATOM 990 C PRO A 66 -5.459 3.437 -11.970 1.00 0.00 C ATOM 991 O PRO A 66 -4.467 3.883 -12.543 1.00 0.00 O ATOM 992 CB PRO A 66 -7.160 2.492 -13.608 1.00 0.00 C ATOM 993 CG PRO A 66 -8.534 2.440 -12.961 1.00 0.00 C ATOM 994 CD PRO A 66 -8.385 1.777 -11.602 1.00 0.00 C ATOM 0 HA PRO A 66 -5.362 1.550 -12.867 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.970 3.473 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.080 1.764 -14.415 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.943 3.445 -12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.229 1.878 -13.585 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.769 2.415 -10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.940 0.840 -11.555 1.00 0.00 H new ATOM 1002 N ARG A 67 -5.999 3.967 -10.882 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.433 5.156 -10.269 1.00 0.00 C ATOM 1004 C ARG A 67 -4.267 4.778 -9.353 1.00 0.00 C ATOM 1005 O ARG A 67 -3.307 5.535 -9.219 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.486 5.911 -9.456 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.372 7.421 -9.678 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.739 8.098 -9.557 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.066 8.804 -10.816 1.00 0.00 N ATOM 1010 CZ ARG A 67 -9.041 9.716 -10.934 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -9.790 10.037 -9.870 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -9.267 10.306 -12.115 1.00 0.00 N ATOM 0 H ARG A 67 -6.823 3.594 -10.410 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.075 5.803 -11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.482 5.572 -9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.363 5.685 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.685 7.849 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.951 7.616 -10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.505 7.354 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.733 8.803 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.515 8.583 -11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.618 9.587 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.532 10.731 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.697 10.061 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.009 11.000 -12.205 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.388 3.606 -8.747 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.357 3.117 -7.848 1.00 0.00 C ATOM 1028 C LEU A 68 -2.204 2.536 -8.670 1.00 0.00 C ATOM 1029 O LEU A 68 -1.037 2.720 -8.325 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.948 2.133 -6.838 1.00 0.00 C ATOM 1031 CG LEU A 68 -3.049 1.762 -5.657 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.561 2.390 -4.359 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.897 0.245 -5.538 1.00 0.00 C ATOM 0 H LEU A 68 -5.185 2.980 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.948 3.936 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.872 2.557 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.216 1.218 -7.366 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.056 2.171 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.904 2.110 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.574 3.475 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.570 2.032 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.253 0.009 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.877 -0.208 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.453 -0.149 -6.452 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.571 1.848 -9.741 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.582 1.239 -10.614 1.00 0.00 C ATOM 1047 C ARG A 69 -0.783 2.319 -11.346 1.00 0.00 C ATOM 1048 O ARG A 69 0.445 2.269 -11.386 1.00 0.00 O ATOM 1049 CB ARG A 69 -2.245 0.320 -11.642 1.00 0.00 C ATOM 1050 CG ARG A 69 -1.239 -0.679 -12.215 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.735 -0.223 -13.586 1.00 0.00 C ATOM 1052 NE ARG A 69 -1.185 -1.170 -14.631 1.00 0.00 N ATOM 1053 CZ ARG A 69 -0.853 -1.074 -15.926 1.00 0.00 C ATOM 1054 NH1 ARG A 69 -0.066 -0.073 -16.343 1.00 0.00 N ATOM 1055 NH2 ARG A 69 -1.307 -1.979 -16.803 1.00 0.00 N ATOM 0 H ARG A 69 -3.540 1.699 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.912 0.645 -9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.071 -0.217 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.669 0.918 -12.449 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.397 -0.786 -11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.705 -1.660 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.108 0.778 -13.805 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.353 -0.164 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.786 -1.944 -14.348 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.280 0.616 -15.675 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.187 0.000 -17.328 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.906 -2.741 -16.485 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.054 -1.906 -17.788 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.513 3.272 -11.907 1.00 0.00 N ATOM 1070 CA ALA A 70 -0.889 4.363 -12.635 1.00 0.00 C ATOM 1071 C ALA A 70 0.130 5.058 -11.730 1.00 0.00 C ATOM 1072 O ALA A 70 1.150 5.555 -12.204 1.00 0.00 O ATOM 1073 CB ALA A 70 -1.967 5.322 -13.143 1.00 0.00 C ATOM 0 H ALA A 70 -2.532 3.311 -11.872 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.353 3.985 -13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.498 6.140 -13.689 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.647 4.787 -13.805 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.525 5.723 -12.297 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.182 5.070 -10.442 1.00 0.00 N ATOM 1080 CA TRP A 71 0.694 5.695 -9.466 1.00 0.00 C ATOM 1081 C TRP A 71 1.902 4.779 -9.258 1.00 0.00 C ATOM 1082 O TRP A 71 3.031 5.252 -9.140 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.058 5.996 -8.168 1.00 0.00 C ATOM 1084 CG TRP A 71 0.814 6.612 -7.072 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.201 7.889 -6.946 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.394 5.922 -5.945 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.986 8.071 -5.826 1.00 0.00 N ATOM 1088 CE2 TRP A 71 2.106 6.838 -5.197 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.319 4.569 -5.569 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.798 6.500 -4.028 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 2.016 4.248 -4.398 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.738 5.158 -3.635 1.00 0.00 C ATOM 0 H TRP A 71 -1.029 4.657 -10.052 1.00 0.00 H new ATOM 0 HA TRP A 71 1.048 6.660 -9.828 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.882 6.675 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.497 5.072 -7.792 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.932 8.676 -7.635 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.402 8.949 -5.517 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.767 3.836 -6.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.349 7.235 -3.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.991 3.221 -4.064 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.251 4.831 -2.742 1.00 0.00 H new ATOM 1103 N LEU A 72 1.623 3.484 -9.221 1.00 0.00 N ATOM 1104 CA LEU A 72 2.672 2.498 -9.030 1.00 0.00 C ATOM 1105 C LEU A 72 3.627 2.538 -10.224 1.00 0.00 C ATOM 1106 O LEU A 72 4.840 2.655 -10.051 1.00 0.00 O ATOM 1107 CB LEU A 72 2.068 1.116 -8.772 1.00 0.00 C ATOM 1108 CG LEU A 72 1.286 0.959 -7.466 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.170 -0.076 -7.617 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.222 0.628 -6.302 1.00 0.00 C ATOM 0 H LEU A 72 0.685 3.095 -9.320 1.00 0.00 H new ATOM 0 HA LEU A 72 3.260 2.734 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.405 0.871 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.874 0.382 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 72 0.812 1.913 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.370 -0.169 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.518 0.242 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.602 -1.041 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.640 0.522 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.745 -0.305 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.948 1.431 -6.179 1.00 0.00 H new ATOM 1122 N ASP A 73 3.045 2.438 -11.410 1.00 0.00 N ATOM 1123 CA ASP A 73 3.830 2.462 -12.633 1.00 0.00 C ATOM 1124 C ASP A 73 4.646 3.755 -12.686 1.00 0.00 C ATOM 1125 O ASP A 73 5.793 3.751 -13.130 1.00 0.00 O ATOM 1126 CB ASP A 73 2.927 2.422 -13.868 1.00 0.00 C ATOM 1127 CG ASP A 73 3.573 1.835 -15.124 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.229 0.780 -14.984 1.00 0.00 O ATOM 1129 OD2 ASP A 73 3.396 2.453 -16.195 1.00 0.00 O ATOM 0 H ASP A 73 2.039 2.340 -11.550 1.00 0.00 H new ATOM 0 HA ASP A 73 4.480 1.587 -12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.037 1.840 -13.630 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.595 3.436 -14.089 1.00 0.00 H new ATOM 1134 N ALA A 74 4.023 4.829 -12.226 1.00 0.00 N ATOM 1135 CA ALA A 74 4.677 6.127 -12.215 1.00 0.00 C ATOM 1136 C ALA A 74 6.052 5.994 -11.556 1.00 0.00 C ATOM 1137 O ALA A 74 6.943 6.805 -11.803 1.00 0.00 O ATOM 1138 CB ALA A 74 3.784 7.143 -11.500 1.00 0.00 C ATOM 0 H ALA A 74 3.072 4.828 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 74 4.831 6.488 -13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.275 8.116 -11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.831 7.221 -12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.609 6.816 -10.475 1.00 0.00 H new ATOM 1144 N ALA A 75 6.181 4.965 -10.731 1.00 0.00 N ATOM 1145 CA ALA A 75 7.432 4.716 -10.036 1.00 0.00 C ATOM 1146 C ALA A 75 7.916 3.301 -10.358 1.00 0.00 C ATOM 1147 O ALA A 75 7.181 2.507 -10.943 1.00 0.00 O ATOM 1148 CB ALA A 75 7.234 4.937 -8.535 1.00 0.00 C ATOM 0 H ALA A 75 5.440 4.294 -10.529 1.00 0.00 H new ATOM 0 HA ALA A 75 8.202 5.412 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.172 4.750 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.918 5.965 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.470 4.253 -8.164 1.00 0.00 H new ATOM 1154 N PRO A 76 9.183 3.020 -9.951 1.00 0.00 N ATOM 1155 CA PRO A 76 9.775 1.715 -10.190 1.00 0.00 C ATOM 1156 C PRO A 76 9.199 0.669 -9.233 1.00 0.00 C ATOM 1157 O PRO A 76 8.479 1.009 -8.296 1.00 0.00 O ATOM 1158 CB PRO A 76 11.270 1.922 -10.014 1.00 0.00 C ATOM 1159 CG PRO A 76 11.422 3.216 -9.231 1.00 0.00 C ATOM 1160 CD PRO A 76 10.083 3.935 -9.255 1.00 0.00 C ATOM 0 HA PRO A 76 9.555 1.329 -11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.720 1.086 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.771 1.988 -10.980 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.725 3.008 -8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.199 3.840 -9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.729 4.147 -8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.156 4.890 -9.775 1.00 0.00 H new ATOM 1168 N HIS A 77 9.538 -0.584 -9.503 1.00 0.00 N ATOM 1169 CA HIS A 77 9.064 -1.682 -8.678 1.00 0.00 C ATOM 1170 C HIS A 77 10.198 -2.686 -8.460 1.00 0.00 C ATOM 1171 O HIS A 77 11.292 -2.519 -8.996 1.00 0.00 O ATOM 1172 CB HIS A 77 7.815 -2.320 -9.289 1.00 0.00 C ATOM 1173 CG HIS A 77 7.874 -2.471 -10.790 1.00 0.00 C ATOM 1174 ND1 HIS A 77 7.660 -1.415 -11.659 1.00 0.00 N ATOM 1175 CD2 HIS A 77 8.126 -3.564 -11.567 1.00 0.00 C ATOM 1176 CE1 HIS A 77 7.779 -1.864 -12.900 1.00 0.00 C ATOM 1177 NE2 HIS A 77 8.068 -3.195 -12.841 1.00 0.00 N ATOM 0 H HIS A 77 10.135 -0.863 -10.282 1.00 0.00 H new ATOM 0 HA HIS A 77 8.766 -1.305 -7.699 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.665 -3.302 -8.841 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.946 -1.715 -9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.337 -4.560 -11.207 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.667 -1.278 -13.800 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.215 -3.807 -13.644 1.00 0.00 H new ATOM 1185 N ALA A 78 9.896 -3.708 -7.672 1.00 0.00 N ATOM 1186 CA ALA A 78 10.876 -4.739 -7.376 1.00 0.00 C ATOM 1187 C ALA A 78 10.181 -5.913 -6.683 1.00 0.00 C ATOM 1188 O ALA A 78 10.114 -5.962 -5.456 1.00 0.00 O ATOM 1189 CB ALA A 78 12.003 -4.145 -6.528 1.00 0.00 C ATOM 0 H ALA A 78 8.987 -3.844 -7.230 1.00 0.00 H new ATOM 0 HA ALA A 78 11.325 -5.117 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.738 -4.919 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.483 -3.335 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.592 -3.758 -5.596 1.00 0.00 H new TER 1195 ALA A 78