USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -81:sc= -0.116 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -1.92! C(o=-1.9!,f=-6.1!) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= 0.711 (180deg=-0.151) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.937 USER MOD Single : A 25 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-3.1!) USER MOD Single : A 27 THR OG1 : rot 140:sc= -4.34! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -7.61! C(o=-7.6!,f=-12!) USER MOD Single : A 33 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.8!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.000808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.173 -16.451 14.779 1.00 0.00 N ATOM 2 CA GLU A 1 6.095 -16.146 15.860 1.00 0.00 C ATOM 3 C GLU A 1 6.486 -14.667 15.822 1.00 0.00 C ATOM 4 O GLU A 1 6.349 -13.959 16.818 1.00 0.00 O ATOM 5 CB GLU A 1 7.332 -17.043 15.795 1.00 0.00 C ATOM 6 CG GLU A 1 7.449 -17.908 17.051 1.00 0.00 C ATOM 7 CD GLU A 1 6.378 -19.000 17.066 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.187 -18.627 17.143 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.773 -20.184 16.999 1.00 0.00 O ATOM 0 H1 GLU A 1 4.915 -17.458 14.816 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.316 -15.870 14.880 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.627 -16.243 13.867 1.00 0.00 H new ATOM 0 HA GLU A 1 5.593 -16.345 16.807 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.277 -17.682 14.913 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.226 -16.429 15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.438 -18.363 17.092 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.348 -17.283 17.938 1.00 0.00 H new ATOM 16 N GLU A 2 6.967 -14.245 14.661 1.00 0.00 N ATOM 17 CA GLU A 2 7.380 -12.863 14.481 1.00 0.00 C ATOM 18 C GLU A 2 6.495 -12.178 13.437 1.00 0.00 C ATOM 19 O GLU A 2 5.868 -11.159 13.723 1.00 0.00 O ATOM 20 CB GLU A 2 8.856 -12.779 14.089 1.00 0.00 C ATOM 21 CG GLU A 2 9.448 -11.420 14.470 1.00 0.00 C ATOM 22 CD GLU A 2 10.805 -11.205 13.796 1.00 0.00 C ATOM 23 OE1 GLU A 2 10.814 -11.141 12.547 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.801 -11.108 14.544 1.00 0.00 O ATOM 0 H GLU A 2 7.080 -14.835 13.837 1.00 0.00 H new ATOM 0 HA GLU A 2 7.260 -12.341 15.430 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.413 -13.574 14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.961 -12.937 13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.762 -10.625 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.562 -11.359 15.552 1.00 0.00 H new ATOM 31 N TYR A 3 6.474 -12.763 12.249 1.00 0.00 N ATOM 32 CA TYR A 3 5.677 -12.222 11.162 1.00 0.00 C ATOM 33 C TYR A 3 4.347 -11.669 11.679 1.00 0.00 C ATOM 34 O TYR A 3 3.547 -12.404 12.255 1.00 0.00 O ATOM 35 CB TYR A 3 5.396 -13.394 10.220 1.00 0.00 C ATOM 36 CG TYR A 3 4.218 -13.162 9.271 1.00 0.00 C ATOM 37 CD1 TYR A 3 4.359 -12.315 8.190 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.015 -13.799 9.497 1.00 0.00 C ATOM 39 CE1 TYR A 3 3.251 -12.097 7.298 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.906 -13.580 8.604 1.00 0.00 C ATOM 41 CZ TYR A 3 2.079 -12.740 7.548 1.00 0.00 C ATOM 42 OH TYR A 3 1.032 -12.533 6.705 1.00 0.00 O ATOM 0 H TYR A 3 6.997 -13.607 12.015 1.00 0.00 H new ATOM 0 HA TYR A 3 6.206 -11.407 10.668 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.290 -13.595 9.630 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.200 -14.286 10.815 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.301 -11.816 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.905 -14.461 10.343 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.348 -11.437 6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.959 -14.072 8.769 1.00 0.00 H new ATOM 0 HH TYR A 3 0.261 -13.058 7.006 1.00 0.00 H new ATOM 52 N VAL A 4 4.153 -10.377 11.455 1.00 0.00 N ATOM 53 CA VAL A 4 2.934 -9.718 11.891 1.00 0.00 C ATOM 54 C VAL A 4 2.891 -8.301 11.314 1.00 0.00 C ATOM 55 O VAL A 4 3.493 -7.383 11.869 1.00 0.00 O ATOM 56 CB VAL A 4 2.842 -9.744 13.418 1.00 0.00 C ATOM 57 CG1 VAL A 4 3.809 -8.736 14.043 1.00 0.00 C ATOM 58 CG2 VAL A 4 1.408 -9.490 13.886 1.00 0.00 C ATOM 0 H VAL A 4 4.819 -9.770 10.978 1.00 0.00 H new ATOM 0 HA VAL A 4 2.059 -10.249 11.517 1.00 0.00 H new ATOM 0 HB VAL A 4 3.132 -10.740 13.754 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.723 -8.775 15.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.830 -8.982 13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.563 -7.733 13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.371 -9.514 14.975 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.078 -8.513 13.533 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.752 -10.262 13.484 1.00 0.00 H new ATOM 68 N GLY A 5 2.175 -8.169 10.207 1.00 0.00 N ATOM 69 CA GLY A 5 2.046 -6.880 9.549 1.00 0.00 C ATOM 70 C GLY A 5 1.376 -5.858 10.471 1.00 0.00 C ATOM 71 O GLY A 5 1.979 -5.403 11.441 1.00 0.00 O ATOM 0 H GLY A 5 1.678 -8.933 9.749 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.031 -6.518 9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.460 -6.991 8.636 1.00 0.00 H new ATOM 75 N LEU A 6 0.139 -5.527 10.133 1.00 0.00 N ATOM 76 CA LEU A 6 -0.619 -4.567 10.918 1.00 0.00 C ATOM 77 C LEU A 6 0.320 -3.466 11.415 1.00 0.00 C ATOM 78 O LEU A 6 0.370 -3.181 12.611 1.00 0.00 O ATOM 79 CB LEU A 6 -1.383 -5.276 12.038 1.00 0.00 C ATOM 80 CG LEU A 6 -0.563 -5.661 13.271 1.00 0.00 C ATOM 81 CD1 LEU A 6 -0.854 -4.718 14.440 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.791 -7.127 13.646 1.00 0.00 C ATOM 0 H LEU A 6 -0.358 -5.906 9.327 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.378 -4.085 10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.201 -4.631 12.358 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.832 -6.181 11.628 1.00 0.00 H new ATOM 0 HG LEU A 6 0.493 -5.552 13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.258 -5.014 15.303 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.599 -3.697 14.156 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.913 -4.770 14.695 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.196 -7.374 14.525 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.847 -7.287 13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.492 -7.766 12.815 1.00 0.00 H new ATOM 94 N SER A 7 1.040 -2.877 10.472 1.00 0.00 N ATOM 95 CA SER A 7 1.975 -1.814 10.800 1.00 0.00 C ATOM 96 C SER A 7 2.603 -1.257 9.520 1.00 0.00 C ATOM 97 O SER A 7 2.203 -1.625 8.417 1.00 0.00 O ATOM 98 CB SER A 7 3.064 -2.311 11.752 1.00 0.00 C ATOM 99 OG SER A 7 4.020 -3.132 11.088 1.00 0.00 O ATOM 0 H SER A 7 0.995 -3.115 9.481 1.00 0.00 H new ATOM 0 HA SER A 7 1.425 -1.019 11.304 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.570 -1.457 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.605 -2.874 12.565 1.00 0.00 H new ATOM 0 HG SER A 7 3.664 -4.041 10.997 1.00 0.00 H new ATOM 105 N ALA A 8 3.576 -0.378 9.711 1.00 0.00 N ATOM 106 CA ALA A 8 4.262 0.234 8.586 1.00 0.00 C ATOM 107 C ALA A 8 5.239 -0.776 7.980 1.00 0.00 C ATOM 108 O ALA A 8 5.536 -0.720 6.788 1.00 0.00 O ATOM 109 CB ALA A 8 4.960 1.514 9.048 1.00 0.00 C ATOM 0 H ALA A 8 3.905 -0.075 10.628 1.00 0.00 H new ATOM 0 HA ALA A 8 3.551 0.513 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.475 1.973 8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.220 2.210 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.684 1.273 9.827 1.00 0.00 H new ATOM 115 N ASN A 9 5.712 -1.677 8.829 1.00 0.00 N ATOM 116 CA ASN A 9 6.649 -2.698 8.393 1.00 0.00 C ATOM 117 C ASN A 9 6.257 -3.179 6.994 1.00 0.00 C ATOM 118 O ASN A 9 7.115 -3.573 6.206 1.00 0.00 O ATOM 119 CB ASN A 9 6.625 -3.905 9.332 1.00 0.00 C ATOM 120 CG ASN A 9 7.405 -3.616 10.616 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.553 -2.482 11.041 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.894 -4.702 11.208 1.00 0.00 N ATOM 0 H ASN A 9 5.463 -1.721 9.817 1.00 0.00 H new ATOM 0 HA ASN A 9 7.648 -2.262 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.594 -4.159 9.578 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.055 -4.771 8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.430 -4.615 12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.733 -5.622 10.799 1.00 0.00 H new ATOM 129 N GLN A 10 4.960 -3.131 6.729 1.00 0.00 N ATOM 130 CA GLN A 10 4.443 -3.558 5.439 1.00 0.00 C ATOM 131 C GLN A 10 4.515 -2.408 4.432 1.00 0.00 C ATOM 132 O GLN A 10 4.996 -2.586 3.314 1.00 0.00 O ATOM 133 CB GLN A 10 3.013 -4.085 5.568 1.00 0.00 C ATOM 134 CG GLN A 10 2.784 -5.281 4.642 1.00 0.00 C ATOM 135 CD GLN A 10 1.293 -5.481 4.363 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.872 -5.731 3.246 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.520 -5.358 5.438 1.00 0.00 N ATOM 0 H GLN A 10 4.251 -2.803 7.385 1.00 0.00 H new ATOM 0 HA GLN A 10 5.064 -4.376 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.821 -4.378 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.306 -3.292 5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.316 -5.126 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.197 -6.182 5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.937 -5.148 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.490 -5.474 5.356 1.00 0.00 H new ATOM 146 N CYS A 11 4.029 -1.254 4.865 1.00 0.00 N ATOM 147 CA CYS A 11 4.032 -0.075 4.015 1.00 0.00 C ATOM 148 C CYS A 11 5.072 0.907 4.559 1.00 0.00 C ATOM 149 O CYS A 11 4.797 2.099 4.690 1.00 0.00 O ATOM 150 CB CYS A 11 2.643 0.559 3.923 1.00 0.00 C ATOM 151 SG CYS A 11 1.253 -0.590 4.234 1.00 0.00 S ATOM 0 H CYS A 11 3.631 -1.110 5.793 1.00 0.00 H new ATOM 0 HA CYS A 11 4.299 -0.358 2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.585 1.379 4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.522 0.993 2.930 1.00 0.00 H new ATOM 156 N ALA A 12 6.245 0.370 4.862 1.00 0.00 N ATOM 157 CA ALA A 12 7.327 1.183 5.389 1.00 0.00 C ATOM 158 C ALA A 12 8.325 1.485 4.268 1.00 0.00 C ATOM 159 O ALA A 12 9.535 1.435 4.480 1.00 0.00 O ATOM 160 CB ALA A 12 7.979 0.463 6.571 1.00 0.00 C ATOM 0 H ALA A 12 6.469 -0.619 4.752 1.00 0.00 H new ATOM 0 HA ALA A 12 6.946 2.135 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.791 1.074 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.236 0.298 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.375 -0.497 6.239 1.00 0.00 H new ATOM 166 N VAL A 13 7.779 1.792 3.101 1.00 0.00 N ATOM 167 CA VAL A 13 8.605 2.102 1.947 1.00 0.00 C ATOM 168 C VAL A 13 8.850 3.611 1.890 1.00 0.00 C ATOM 169 O VAL A 13 8.043 4.393 2.391 1.00 0.00 O ATOM 170 CB VAL A 13 7.955 1.554 0.675 1.00 0.00 C ATOM 171 CG1 VAL A 13 8.992 0.873 -0.222 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.810 0.597 1.013 1.00 0.00 C ATOM 0 H VAL A 13 6.774 1.833 2.930 1.00 0.00 H new ATOM 0 HA VAL A 13 9.578 1.618 2.034 1.00 0.00 H new ATOM 0 HB VAL A 13 7.537 2.396 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.503 0.492 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.758 1.595 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.453 0.046 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.365 0.222 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.195 -0.239 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.053 1.126 1.592 1.00 0.00 H new ATOM 182 N PRO A 14 9.996 3.985 1.260 1.00 0.00 N ATOM 183 CA PRO A 14 10.356 5.387 1.132 1.00 0.00 C ATOM 184 C PRO A 14 9.504 6.077 0.065 1.00 0.00 C ATOM 185 O PRO A 14 8.808 7.049 0.355 1.00 0.00 O ATOM 186 CB PRO A 14 11.839 5.382 0.796 1.00 0.00 C ATOM 187 CG PRO A 14 12.148 3.982 0.292 1.00 0.00 C ATOM 188 CD PRO A 14 10.974 3.086 0.655 1.00 0.00 C ATOM 0 HA PRO A 14 10.169 5.955 2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.070 6.130 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.439 5.622 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.303 3.990 -0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.067 3.608 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.566 2.592 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.274 2.302 1.350 1.00 0.00 H new ATOM 196 N ALA A 15 9.586 5.547 -1.146 1.00 0.00 N ATOM 197 CA ALA A 15 8.830 6.100 -2.258 1.00 0.00 C ATOM 198 C ALA A 15 9.471 5.657 -3.575 1.00 0.00 C ATOM 199 O ALA A 15 8.814 5.643 -4.615 1.00 0.00 O ATOM 200 CB ALA A 15 8.766 7.622 -2.124 1.00 0.00 C ATOM 0 H ALA A 15 10.164 4.741 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 15 7.805 5.728 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.199 8.037 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.277 7.884 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.776 8.031 -2.133 1.00 0.00 H new ATOM 206 N LYS A 16 10.745 5.305 -3.487 1.00 0.00 N ATOM 207 CA LYS A 16 11.482 4.862 -4.659 1.00 0.00 C ATOM 208 C LYS A 16 11.415 3.337 -4.752 1.00 0.00 C ATOM 209 O LYS A 16 11.945 2.745 -5.690 1.00 0.00 O ATOM 210 CB LYS A 16 12.908 5.416 -4.635 1.00 0.00 C ATOM 211 CG LYS A 16 13.712 4.810 -3.483 1.00 0.00 C ATOM 212 CD LYS A 16 14.035 3.339 -3.753 1.00 0.00 C ATOM 213 CE LYS A 16 15.439 2.986 -3.259 1.00 0.00 C ATOM 214 NZ LYS A 16 15.391 1.822 -2.347 1.00 0.00 N ATOM 0 H LYS A 16 11.286 5.317 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 16 11.027 5.256 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.402 5.199 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.879 6.501 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.637 5.370 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.147 4.897 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.301 2.705 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.960 3.137 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.084 2.763 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.875 3.842 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.811 2.081 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.402 1.533 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.926 1.033 -2.763 1.00 0.00 H new ATOM 228 N ASP A 17 10.760 2.744 -3.764 1.00 0.00 N ATOM 229 CA ASP A 17 10.617 1.298 -3.723 1.00 0.00 C ATOM 230 C ASP A 17 9.140 0.931 -3.875 1.00 0.00 C ATOM 231 O ASP A 17 8.756 -0.217 -3.658 1.00 0.00 O ATOM 232 CB ASP A 17 11.110 0.734 -2.389 1.00 0.00 C ATOM 233 CG ASP A 17 12.404 -0.077 -2.468 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.503 -0.898 -3.406 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.266 0.141 -1.589 1.00 0.00 O ATOM 0 H ASP A 17 10.323 3.238 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 17 11.211 0.877 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.259 1.561 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.328 0.102 -1.968 1.00 0.00 H new ATOM 240 N ARG A 18 8.350 1.928 -4.247 1.00 0.00 N ATOM 241 CA ARG A 18 6.923 1.725 -4.431 1.00 0.00 C ATOM 242 C ARG A 18 6.655 1.018 -5.761 1.00 0.00 C ATOM 243 O ARG A 18 6.843 1.602 -6.827 1.00 0.00 O ATOM 244 CB ARG A 18 6.170 3.056 -4.407 1.00 0.00 C ATOM 245 CG ARG A 18 6.710 3.972 -3.307 1.00 0.00 C ATOM 246 CD ARG A 18 6.501 3.351 -1.925 1.00 0.00 C ATOM 247 NE ARG A 18 6.732 4.367 -0.874 1.00 0.00 N ATOM 248 CZ ARG A 18 5.975 5.460 -0.706 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.935 5.686 -1.520 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.259 6.328 0.275 1.00 0.00 N ATOM 0 H ARG A 18 8.672 2.879 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 18 6.567 1.105 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.265 3.549 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.108 2.874 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.772 4.155 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.208 4.939 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.488 2.956 -1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.183 2.512 -1.787 1.00 0.00 H new ATOM 0 HE ARG A 18 7.517 4.227 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.720 5.026 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.359 6.518 -1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.051 6.157 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.683 7.160 0.403 1.00 0.00 H new ATOM 264 N VAL A 19 6.220 -0.229 -5.655 1.00 0.00 N ATOM 265 CA VAL A 19 5.924 -1.022 -6.836 1.00 0.00 C ATOM 266 C VAL A 19 4.625 -0.518 -7.470 1.00 0.00 C ATOM 267 O VAL A 19 4.266 -0.934 -8.570 1.00 0.00 O ATOM 268 CB VAL A 19 5.874 -2.507 -6.471 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.740 -3.375 -7.724 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.102 -2.911 -5.652 1.00 0.00 C ATOM 0 H VAL A 19 6.065 -0.710 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 19 6.714 -0.911 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 19 4.991 -2.672 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.707 -4.426 -7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.822 -3.114 -8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.595 -3.205 -8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.042 -3.971 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.005 -2.724 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.135 -2.326 -4.733 1.00 0.00 H new ATOM 280 N ASP A 20 3.957 0.370 -6.749 1.00 0.00 N ATOM 281 CA ASP A 20 2.707 0.934 -7.227 1.00 0.00 C ATOM 282 C ASP A 20 1.697 -0.193 -7.453 1.00 0.00 C ATOM 283 O ASP A 20 1.917 -1.071 -8.286 1.00 0.00 O ATOM 284 CB ASP A 20 2.905 1.665 -8.556 1.00 0.00 C ATOM 285 CG ASP A 20 1.685 2.440 -9.056 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.639 2.352 -8.377 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.825 3.104 -10.106 1.00 0.00 O ATOM 0 H ASP A 20 4.258 0.713 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 20 2.347 1.639 -6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.739 2.359 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.190 0.936 -9.315 1.00 0.00 H new ATOM 292 N CYS A 21 0.611 -0.132 -6.696 1.00 0.00 N ATOM 293 CA CYS A 21 -0.433 -1.136 -6.803 1.00 0.00 C ATOM 294 C CYS A 21 -1.320 -0.782 -7.998 1.00 0.00 C ATOM 295 O CYS A 21 -2.058 -1.628 -8.501 1.00 0.00 O ATOM 296 CB CYS A 21 -1.240 -1.254 -5.508 1.00 0.00 C ATOM 297 SG CYS A 21 -1.758 -2.956 -5.078 1.00 0.00 S ATOM 0 H CYS A 21 0.432 0.598 -6.006 1.00 0.00 H new ATOM 0 HA CYS A 21 0.017 -2.116 -6.964 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.645 -0.852 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.129 -0.629 -5.592 1.00 0.00 H new ATOM 302 N GLY A 22 -1.220 0.471 -8.417 1.00 0.00 N ATOM 303 CA GLY A 22 -2.004 0.948 -9.544 1.00 0.00 C ATOM 304 C GLY A 22 -3.502 0.846 -9.251 1.00 0.00 C ATOM 305 O GLY A 22 -4.190 -0.010 -9.805 1.00 0.00 O ATOM 0 H GLY A 22 -0.608 1.170 -7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.742 1.983 -9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.763 0.364 -10.433 1.00 0.00 H new ATOM 309 N TYR A 23 -3.965 1.732 -8.381 1.00 0.00 N ATOM 310 CA TYR A 23 -5.369 1.753 -8.009 1.00 0.00 C ATOM 311 C TYR A 23 -5.892 3.188 -7.922 1.00 0.00 C ATOM 312 O TYR A 23 -5.161 4.097 -7.532 1.00 0.00 O ATOM 313 CB TYR A 23 -5.446 1.110 -6.622 1.00 0.00 C ATOM 314 CG TYR A 23 -6.606 0.125 -6.457 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.594 -1.075 -7.139 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.663 0.437 -5.626 1.00 0.00 C ATOM 317 CE1 TYR A 23 -7.685 -2.002 -6.983 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.754 -0.490 -5.471 1.00 0.00 C ATOM 319 CZ TYR A 23 -8.711 -1.664 -6.157 1.00 0.00 C ATOM 320 OH TYR A 23 -9.742 -2.539 -6.010 1.00 0.00 O ATOM 0 H TYR A 23 -3.392 2.441 -7.923 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.971 1.226 -8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.509 0.590 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.541 1.896 -5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.767 -1.319 -7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.672 1.376 -5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.688 -2.945 -7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.588 -0.258 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.413 -3.455 -6.128 1.00 0.00 H new ATOM 330 N PRO A 24 -7.188 3.351 -8.303 1.00 0.00 N ATOM 331 CA PRO A 24 -7.818 4.660 -8.273 1.00 0.00 C ATOM 332 C PRO A 24 -8.151 5.074 -6.838 1.00 0.00 C ATOM 333 O PRO A 24 -7.425 5.859 -6.230 1.00 0.00 O ATOM 334 CB PRO A 24 -9.049 4.524 -9.153 1.00 0.00 C ATOM 335 CG PRO A 24 -9.318 3.032 -9.267 1.00 0.00 C ATOM 336 CD PRO A 24 -8.084 2.297 -8.771 1.00 0.00 C ATOM 0 HA PRO A 24 -7.165 5.450 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.902 5.042 -8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.878 4.966 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.191 2.755 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.534 2.761 -10.300 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.332 1.603 -7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.625 1.712 -9.568 1.00 0.00 H new ATOM 344 N HIS A 25 -9.251 4.529 -6.339 1.00 0.00 N ATOM 345 CA HIS A 25 -9.689 4.833 -4.987 1.00 0.00 C ATOM 346 C HIS A 25 -8.714 4.219 -3.981 1.00 0.00 C ATOM 347 O HIS A 25 -8.790 3.027 -3.686 1.00 0.00 O ATOM 348 CB HIS A 25 -11.133 4.375 -4.769 1.00 0.00 C ATOM 349 CG HIS A 25 -11.256 3.044 -4.067 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.927 2.889 -2.867 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.787 1.810 -4.409 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.858 1.614 -2.511 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.151 0.947 -3.468 1.00 0.00 N ATOM 0 H HIS A 25 -9.852 3.879 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.683 5.912 -4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.659 5.131 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.633 4.312 -5.735 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.395 3.630 -2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.216 1.575 -5.295 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.286 1.180 -1.620 1.00 0.00 H new ATOM 362 N VAL A 26 -7.820 5.060 -3.482 1.00 0.00 N ATOM 363 CA VAL A 26 -6.831 4.615 -2.516 1.00 0.00 C ATOM 364 C VAL A 26 -6.913 5.495 -1.267 1.00 0.00 C ATOM 365 O VAL A 26 -6.820 6.718 -1.358 1.00 0.00 O ATOM 366 CB VAL A 26 -5.441 4.610 -3.154 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.325 3.507 -4.208 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.107 5.978 -3.752 1.00 0.00 C ATOM 0 H VAL A 26 -7.760 6.048 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.034 3.590 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.713 4.401 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.327 3.526 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.498 2.538 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.067 3.671 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.113 5.947 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.841 6.230 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.128 6.733 -2.966 1.00 0.00 H new ATOM 378 N THR A 27 -7.085 4.838 -0.129 1.00 0.00 N ATOM 379 CA THR A 27 -7.180 5.546 1.136 1.00 0.00 C ATOM 380 C THR A 27 -6.242 4.918 2.170 1.00 0.00 C ATOM 381 O THR A 27 -5.711 3.831 1.952 1.00 0.00 O ATOM 382 CB THR A 27 -8.647 5.547 1.569 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.866 4.228 2.060 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.607 5.666 0.383 1.00 0.00 C ATOM 0 H THR A 27 -7.161 3.823 -0.057 1.00 0.00 H new ATOM 0 HA THR A 27 -6.856 6.582 1.035 1.00 0.00 H new ATOM 0 HB THR A 27 -8.820 6.371 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.427 4.267 2.863 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.635 5.662 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.414 6.597 -0.150 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.457 4.824 -0.292 1.00 0.00 H new ATOM 392 N PRO A 28 -6.063 5.650 3.303 1.00 0.00 N ATOM 393 CA PRO A 28 -5.199 5.176 4.371 1.00 0.00 C ATOM 394 C PRO A 28 -5.871 4.052 5.162 1.00 0.00 C ATOM 395 O PRO A 28 -5.706 3.958 6.377 1.00 0.00 O ATOM 396 CB PRO A 28 -4.909 6.406 5.216 1.00 0.00 C ATOM 397 CG PRO A 28 -5.987 7.418 4.863 1.00 0.00 C ATOM 398 CD PRO A 28 -6.676 6.942 3.595 1.00 0.00 C ATOM 0 HA PRO A 28 -4.273 4.736 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.933 6.164 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.916 6.802 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.706 7.509 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.549 8.405 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.752 6.846 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.527 7.645 2.776 1.00 0.00 H new ATOM 406 N LYS A 29 -6.615 3.227 4.440 1.00 0.00 N ATOM 407 CA LYS A 29 -7.313 2.112 5.059 1.00 0.00 C ATOM 408 C LYS A 29 -7.995 1.277 3.973 1.00 0.00 C ATOM 409 O LYS A 29 -7.898 0.051 3.976 1.00 0.00 O ATOM 410 CB LYS A 29 -8.270 2.615 6.141 1.00 0.00 C ATOM 411 CG LYS A 29 -8.508 1.540 7.204 1.00 0.00 C ATOM 412 CD LYS A 29 -9.969 1.085 7.207 1.00 0.00 C ATOM 413 CE LYS A 29 -10.490 0.925 8.637 1.00 0.00 C ATOM 414 NZ LYS A 29 -10.849 -0.486 8.903 1.00 0.00 N ATOM 0 H LYS A 29 -6.750 3.308 3.432 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.608 1.456 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.858 3.509 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.219 2.900 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.858 0.686 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.243 1.930 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.581 1.811 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.060 0.138 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.730 1.253 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.361 1.563 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.201 -0.577 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.590 -0.787 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.009 -1.087 8.781 1.00 0.00 H new ATOM 428 N GLU A 30 -8.670 1.975 3.072 1.00 0.00 N ATOM 429 CA GLU A 30 -9.369 1.313 1.983 1.00 0.00 C ATOM 430 C GLU A 30 -8.368 0.787 0.952 1.00 0.00 C ATOM 431 O GLU A 30 -8.645 -0.187 0.254 1.00 0.00 O ATOM 432 CB GLU A 30 -10.384 2.254 1.331 1.00 0.00 C ATOM 433 CG GLU A 30 -11.652 1.498 0.928 1.00 0.00 C ATOM 434 CD GLU A 30 -12.566 1.277 2.136 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.014 1.152 3.250 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.796 1.239 1.917 1.00 0.00 O ATOM 0 H GLU A 30 -8.748 2.992 3.073 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.919 0.465 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.639 3.056 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.940 2.721 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.186 2.059 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.383 0.537 0.490 1.00 0.00 H new ATOM 443 N CYS A 31 -7.226 1.456 0.889 1.00 0.00 N ATOM 444 CA CYS A 31 -6.182 1.068 -0.045 1.00 0.00 C ATOM 445 C CYS A 31 -5.428 -0.125 0.546 1.00 0.00 C ATOM 446 O CYS A 31 -4.953 -0.989 -0.189 1.00 0.00 O ATOM 447 CB CYS A 31 -5.245 2.235 -0.362 1.00 0.00 C ATOM 448 SG CYS A 31 -3.582 1.746 -0.948 1.00 0.00 S ATOM 0 H CYS A 31 -7.001 2.264 1.469 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.630 0.779 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.712 2.862 -1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.134 2.847 0.533 1.00 0.00 H new ATOM 453 N ASN A 32 -5.342 -0.134 1.868 1.00 0.00 N ATOM 454 CA ASN A 32 -4.654 -1.207 2.566 1.00 0.00 C ATOM 455 C ASN A 32 -5.655 -2.313 2.905 1.00 0.00 C ATOM 456 O ASN A 32 -5.292 -3.316 3.518 1.00 0.00 O ATOM 457 CB ASN A 32 -4.039 -0.707 3.875 1.00 0.00 C ATOM 458 CG ASN A 32 -3.491 0.712 3.716 1.00 0.00 C ATOM 459 OD1 ASN A 32 -2.316 0.927 3.468 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.404 1.666 3.873 1.00 0.00 N ATOM 0 H ASN A 32 -5.737 0.585 2.474 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.863 -1.580 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.791 -0.724 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.237 -1.378 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.137 2.647 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.371 1.417 4.079 1.00 0.00 H new ATOM 467 N ASN A 33 -6.894 -2.093 2.492 1.00 0.00 N ATOM 468 CA ASN A 33 -7.950 -3.059 2.745 1.00 0.00 C ATOM 469 C ASN A 33 -8.259 -3.820 1.454 1.00 0.00 C ATOM 470 O ASN A 33 -8.507 -5.024 1.483 1.00 0.00 O ATOM 471 CB ASN A 33 -9.234 -2.364 3.203 1.00 0.00 C ATOM 472 CG ASN A 33 -10.340 -3.384 3.481 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.314 -4.510 3.013 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.310 -2.929 4.268 1.00 0.00 N ATOM 0 H ASN A 33 -7.191 -1.260 1.984 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.607 -3.736 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.036 -1.783 4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.565 -1.663 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.094 -3.534 4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.271 -1.975 4.626 1.00 0.00 H new ATOM 481 N ARG A 34 -8.234 -3.085 0.351 1.00 0.00 N ATOM 482 CA ARG A 34 -8.509 -3.675 -0.948 1.00 0.00 C ATOM 483 C ARG A 34 -7.519 -4.805 -1.237 1.00 0.00 C ATOM 484 O ARG A 34 -7.828 -5.729 -1.988 1.00 0.00 O ATOM 485 CB ARG A 34 -8.416 -2.628 -2.059 1.00 0.00 C ATOM 486 CG ARG A 34 -9.466 -2.884 -3.142 1.00 0.00 C ATOM 487 CD ARG A 34 -10.879 -2.841 -2.557 1.00 0.00 C ATOM 488 NE ARG A 34 -11.868 -2.621 -3.637 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.447 -3.607 -4.336 1.00 0.00 C ATOM 490 NH1 ARG A 34 -12.141 -4.884 -4.074 1.00 0.00 N ATOM 491 NH2 ARG A 34 -13.333 -3.314 -5.298 1.00 0.00 N ATOM 0 H ARG A 34 -8.027 -2.086 0.331 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.523 -4.073 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.557 -1.632 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.420 -2.649 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.372 -2.136 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.289 -3.856 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.096 -3.775 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.951 -2.043 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.124 -1.660 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.467 -5.107 -3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.582 -5.634 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.566 -2.341 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.774 -4.064 -5.831 1.00 0.00 H new ATOM 505 N GLY A 35 -6.348 -4.694 -0.627 1.00 0.00 N ATOM 506 CA GLY A 35 -5.311 -5.695 -0.810 1.00 0.00 C ATOM 507 C GLY A 35 -4.017 -5.057 -1.320 1.00 0.00 C ATOM 508 O GLY A 35 -3.655 -5.224 -2.483 1.00 0.00 O ATOM 0 H GLY A 35 -6.094 -3.926 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.122 -6.205 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.651 -6.451 -1.517 1.00 0.00 H new ATOM 512 N CYS A 36 -3.356 -4.339 -0.424 1.00 0.00 N ATOM 513 CA CYS A 36 -2.110 -3.675 -0.768 1.00 0.00 C ATOM 514 C CYS A 36 -1.742 -2.723 0.372 1.00 0.00 C ATOM 515 O CYS A 36 -2.195 -2.898 1.502 1.00 0.00 O ATOM 516 CB CYS A 36 -2.210 -2.946 -2.110 1.00 0.00 C ATOM 517 SG CYS A 36 -0.966 -3.453 -3.353 1.00 0.00 S ATOM 0 H CYS A 36 -3.660 -4.202 0.540 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.321 -4.417 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.205 -3.111 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.112 -1.875 -1.934 1.00 0.00 H new ATOM 522 N CYS A 37 -0.923 -1.737 0.035 1.00 0.00 N ATOM 523 CA CYS A 37 -0.488 -0.758 1.017 1.00 0.00 C ATOM 524 C CYS A 37 -0.855 0.635 0.500 1.00 0.00 C ATOM 525 O CYS A 37 -0.998 0.837 -0.705 1.00 0.00 O ATOM 526 CB CYS A 37 1.007 -0.880 1.315 1.00 0.00 C ATOM 527 SG CYS A 37 1.426 -2.021 2.684 1.00 0.00 S ATOM 0 H CYS A 37 -0.550 -1.595 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.995 -0.939 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.517 -1.216 0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.398 0.109 1.553 1.00 0.00 H new ATOM 532 N PHE A 38 -0.996 1.561 1.438 1.00 0.00 N ATOM 533 CA PHE A 38 -1.343 2.929 1.092 1.00 0.00 C ATOM 534 C PHE A 38 -0.259 3.903 1.557 1.00 0.00 C ATOM 535 O PHE A 38 0.707 3.501 2.203 1.00 0.00 O ATOM 536 CB PHE A 38 -2.650 3.255 1.818 1.00 0.00 C ATOM 537 CG PHE A 38 -3.093 4.713 1.675 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.837 5.096 0.603 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.743 5.626 2.621 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.248 6.449 0.471 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.154 6.978 2.489 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.898 7.361 1.417 1.00 0.00 C ATOM 0 H PHE A 38 -0.876 1.391 2.437 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.442 3.026 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.438 2.607 1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.533 3.023 2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.115 4.371 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.152 5.322 3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.838 6.754 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.876 7.703 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.211 8.390 1.317 1.00 0.00 H new ATOM 552 N ASP A 39 -0.455 5.167 1.208 1.00 0.00 N ATOM 553 CA ASP A 39 0.494 6.202 1.581 1.00 0.00 C ATOM 554 C ASP A 39 0.049 7.536 0.979 1.00 0.00 C ATOM 555 O ASP A 39 -0.438 7.580 -0.150 1.00 0.00 O ATOM 556 CB ASP A 39 1.892 5.885 1.048 1.00 0.00 C ATOM 557 CG ASP A 39 2.932 6.987 1.263 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.940 7.927 0.440 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.694 6.863 2.246 1.00 0.00 O ATOM 0 H ASP A 39 -1.257 5.497 0.671 1.00 0.00 H new ATOM 0 HA ASP A 39 0.527 6.254 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.248 4.972 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.819 5.679 -0.020 1.00 0.00 H new ATOM 564 N SER A 40 0.234 8.592 1.758 1.00 0.00 N ATOM 565 CA SER A 40 -0.141 9.924 1.315 1.00 0.00 C ATOM 566 C SER A 40 0.982 10.915 1.627 1.00 0.00 C ATOM 567 O SER A 40 0.771 12.126 1.599 1.00 0.00 O ATOM 568 CB SER A 40 -1.446 10.375 1.974 1.00 0.00 C ATOM 569 OG SER A 40 -1.301 10.553 3.380 1.00 0.00 O ATOM 0 H SER A 40 0.639 8.552 2.693 1.00 0.00 H new ATOM 0 HA SER A 40 -0.301 9.894 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.776 11.311 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.224 9.636 1.781 1.00 0.00 H new ATOM 0 HG SER A 40 -2.155 10.843 3.763 1.00 0.00 H new ATOM 575 N ARG A 41 2.151 10.363 1.918 1.00 0.00 N ATOM 576 CA ARG A 41 3.307 11.184 2.235 1.00 0.00 C ATOM 577 C ARG A 41 3.669 12.074 1.044 1.00 0.00 C ATOM 578 O ARG A 41 4.040 13.233 1.221 1.00 0.00 O ATOM 579 CB ARG A 41 4.514 10.318 2.600 1.00 0.00 C ATOM 580 CG ARG A 41 5.305 10.938 3.754 1.00 0.00 C ATOM 581 CD ARG A 41 6.810 10.852 3.495 1.00 0.00 C ATOM 582 NE ARG A 41 7.533 10.656 4.772 1.00 0.00 N ATOM 583 CZ ARG A 41 7.699 11.613 5.695 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.195 12.838 5.490 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.369 11.345 6.824 1.00 0.00 N ATOM 0 H ARG A 41 2.322 9.358 1.941 1.00 0.00 H new ATOM 0 HA ARG A 41 3.047 11.805 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.178 9.319 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.161 10.205 1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.013 11.981 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.062 10.424 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.024 10.027 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.156 11.763 3.008 1.00 0.00 H new ATOM 0 HE ARG A 41 7.929 9.735 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.685 13.042 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.322 13.566 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.752 10.413 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.496 12.073 7.527 1.00 0.00 H new ATOM 599 N ILE A 42 3.548 11.498 -0.143 1.00 0.00 N ATOM 600 CA ILE A 42 3.858 12.224 -1.363 1.00 0.00 C ATOM 601 C ILE A 42 3.049 11.636 -2.521 1.00 0.00 C ATOM 602 O ILE A 42 2.990 10.418 -2.686 1.00 0.00 O ATOM 603 CB ILE A 42 5.368 12.236 -1.611 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.046 11.053 -0.917 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.981 13.574 -1.194 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.521 9.723 -1.462 1.00 0.00 C ATOM 0 H ILE A 42 3.239 10.536 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 42 3.566 13.270 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 42 5.540 12.123 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.125 11.110 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.868 11.106 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.055 13.556 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.526 14.379 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.800 13.742 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.019 8.899 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.446 9.659 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.723 9.663 -2.531 1.00 0.00 H new ATOM 618 N PRO A 43 2.430 12.552 -3.313 1.00 0.00 N ATOM 619 CA PRO A 43 1.627 12.136 -4.451 1.00 0.00 C ATOM 620 C PRO A 43 2.514 11.682 -5.611 1.00 0.00 C ATOM 621 O PRO A 43 2.151 10.773 -6.356 1.00 0.00 O ATOM 622 CB PRO A 43 0.775 13.347 -4.794 1.00 0.00 C ATOM 623 CG PRO A 43 1.458 14.537 -4.140 1.00 0.00 C ATOM 624 CD PRO A 43 2.477 14.001 -3.147 1.00 0.00 C ATOM 0 HA PRO A 43 0.999 11.273 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.705 13.482 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.242 13.227 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.947 15.157 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.726 15.167 -3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.474 14.391 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.226 14.291 -2.127 1.00 0.00 H new ATOM 632 N GLY A 44 3.661 12.335 -5.728 1.00 0.00 N ATOM 633 CA GLY A 44 4.603 12.010 -6.785 1.00 0.00 C ATOM 634 C GLY A 44 4.733 10.495 -6.957 1.00 0.00 C ATOM 635 O GLY A 44 4.860 10.001 -8.076 1.00 0.00 O ATOM 0 H GLY A 44 3.959 13.088 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.273 12.459 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.578 12.438 -6.552 1.00 0.00 H new ATOM 639 N VAL A 45 4.698 9.799 -5.830 1.00 0.00 N ATOM 640 CA VAL A 45 4.810 8.350 -5.841 1.00 0.00 C ATOM 641 C VAL A 45 3.410 7.734 -5.804 1.00 0.00 C ATOM 642 O VAL A 45 2.422 8.440 -5.609 1.00 0.00 O ATOM 643 CB VAL A 45 5.698 7.885 -4.685 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.801 8.906 -4.396 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.866 7.607 -3.432 1.00 0.00 C ATOM 0 H VAL A 45 4.594 10.212 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 45 5.290 8.011 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 45 6.175 6.952 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.418 8.551 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.421 9.033 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.351 9.862 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.521 7.278 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.348 8.517 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.135 6.827 -3.646 1.00 0.00 H new ATOM 655 N PRO A 46 3.369 6.389 -6.000 1.00 0.00 N ATOM 656 CA PRO A 46 2.106 5.670 -5.991 1.00 0.00 C ATOM 657 C PRO A 46 1.574 5.514 -4.565 1.00 0.00 C ATOM 658 O PRO A 46 1.909 4.551 -3.875 1.00 0.00 O ATOM 659 CB PRO A 46 2.406 4.339 -6.662 1.00 0.00 C ATOM 660 CG PRO A 46 3.916 4.174 -6.603 1.00 0.00 C ATOM 661 CD PRO A 46 4.518 5.520 -6.234 1.00 0.00 C ATOM 0 HA PRO A 46 1.316 6.200 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.903 3.520 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.052 4.333 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.189 3.419 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.301 3.834 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.144 5.443 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.149 5.905 -7.036 1.00 0.00 H new ATOM 669 N TRP A 47 0.754 6.474 -4.165 1.00 0.00 N ATOM 670 CA TRP A 47 0.172 6.455 -2.833 1.00 0.00 C ATOM 671 C TRP A 47 -0.057 4.995 -2.438 1.00 0.00 C ATOM 672 O TRP A 47 0.410 4.551 -1.390 1.00 0.00 O ATOM 673 CB TRP A 47 -1.104 7.297 -2.781 1.00 0.00 C ATOM 674 CG TRP A 47 -0.868 8.765 -2.422 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.224 9.506 -2.655 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.794 9.646 -1.752 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.070 10.795 -2.186 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.196 10.883 -1.620 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.094 9.406 -1.273 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.823 11.976 -1.010 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.707 10.509 -0.667 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.118 11.761 -0.526 1.00 0.00 C ATOM 0 H TRP A 47 0.478 7.270 -4.740 1.00 0.00 H new ATOM 0 HA TRP A 47 0.849 6.908 -2.109 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.600 7.246 -3.750 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.785 6.860 -2.051 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.113 9.141 -3.148 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.759 11.545 -2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.581 8.447 -1.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.333 12.934 -0.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.708 10.379 -0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.658 12.563 -0.045 1.00 0.00 H new ATOM 693 N CYS A 48 -0.776 4.289 -3.298 1.00 0.00 N ATOM 694 CA CYS A 48 -1.073 2.888 -3.052 1.00 0.00 C ATOM 695 C CYS A 48 -0.016 2.040 -3.764 1.00 0.00 C ATOM 696 O CYS A 48 -0.011 1.951 -4.991 1.00 0.00 O ATOM 697 CB CYS A 48 -2.491 2.524 -3.496 1.00 0.00 C ATOM 698 SG CYS A 48 -3.220 1.085 -2.632 1.00 0.00 S ATOM 0 H CYS A 48 -1.162 4.661 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.036 2.689 -1.981 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.138 3.388 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.480 2.320 -4.567 1.00 0.00 H new ATOM 703 N PHE A 49 0.852 1.440 -2.963 1.00 0.00 N ATOM 704 CA PHE A 49 1.911 0.603 -3.502 1.00 0.00 C ATOM 705 C PHE A 49 1.938 -0.760 -2.808 1.00 0.00 C ATOM 706 O PHE A 49 1.311 -0.943 -1.766 1.00 0.00 O ATOM 707 CB PHE A 49 3.233 1.325 -3.232 1.00 0.00 C ATOM 708 CG PHE A 49 3.369 1.863 -1.806 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.494 1.000 -0.763 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.364 3.205 -1.582 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.620 1.499 0.560 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.490 3.704 -0.259 1.00 0.00 C ATOM 713 CZ PHE A 49 3.616 2.840 0.785 1.00 0.00 C ATOM 0 H PHE A 49 0.844 1.516 -1.946 1.00 0.00 H new ATOM 0 HA PHE A 49 1.748 0.436 -4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.057 0.639 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.332 2.154 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.497 -0.065 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.264 3.891 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.719 0.813 1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.486 4.769 -0.081 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.713 3.219 1.792 1.00 0.00 H new ATOM 723 N LYS A 50 2.671 -1.683 -3.415 1.00 0.00 N ATOM 724 CA LYS A 50 2.788 -3.024 -2.868 1.00 0.00 C ATOM 725 C LYS A 50 3.474 -2.956 -1.503 1.00 0.00 C ATOM 726 O LYS A 50 4.129 -1.966 -1.182 1.00 0.00 O ATOM 727 CB LYS A 50 3.491 -3.948 -3.864 1.00 0.00 C ATOM 728 CG LYS A 50 2.636 -4.160 -5.115 1.00 0.00 C ATOM 729 CD LYS A 50 2.911 -5.527 -5.743 1.00 0.00 C ATOM 730 CE LYS A 50 3.116 -5.405 -7.255 1.00 0.00 C ATOM 731 NZ LYS A 50 2.205 -6.321 -7.977 1.00 0.00 N ATOM 0 H LYS A 50 3.189 -1.528 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 50 1.801 -3.457 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.453 -3.520 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.695 -4.909 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.580 -4.081 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.846 -3.374 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.797 -5.969 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.078 -6.199 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.934 -4.378 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.150 -5.638 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.357 -6.226 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.398 -7.301 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.219 -6.081 -7.750 1.00 0.00 H new ATOM 745 N PRO A 51 3.295 -4.050 -0.714 1.00 0.00 N ATOM 746 CA PRO A 51 3.889 -4.123 0.610 1.00 0.00 C ATOM 747 C PRO A 51 5.393 -4.390 0.522 1.00 0.00 C ATOM 748 O PRO A 51 5.819 -5.370 -0.087 1.00 0.00 O ATOM 749 CB PRO A 51 3.130 -5.232 1.320 1.00 0.00 C ATOM 750 CG PRO A 51 2.461 -6.047 0.226 1.00 0.00 C ATOM 751 CD PRO A 51 2.526 -5.241 -1.061 1.00 0.00 C ATOM 0 HA PRO A 51 3.807 -3.186 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.805 -5.851 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.391 -4.821 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.965 -7.006 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.426 -6.263 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.009 -5.806 -1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.529 -4.979 -1.415 1.00 0.00 H new ATOM 759 N LEU A 52 6.157 -3.500 1.139 1.00 0.00 N ATOM 760 CA LEU A 52 7.604 -3.627 1.138 1.00 0.00 C ATOM 761 C LEU A 52 7.982 -5.107 1.222 1.00 0.00 C ATOM 762 O LEU A 52 7.387 -5.861 1.989 1.00 0.00 O ATOM 763 CB LEU A 52 8.217 -2.772 2.249 1.00 0.00 C ATOM 764 CG LEU A 52 9.646 -3.132 2.662 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.286 -2.001 3.468 1.00 0.00 C ATOM 766 CD2 LEU A 52 9.680 -4.463 3.416 1.00 0.00 C ATOM 0 H LEU A 52 5.801 -2.688 1.643 1.00 0.00 H new ATOM 0 HA LEU A 52 8.019 -3.244 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.204 -1.731 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.577 -2.842 3.129 1.00 0.00 H new ATOM 0 HG LEU A 52 10.241 -3.259 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.301 -2.283 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.315 -1.095 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.699 -1.818 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.707 -4.695 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.065 -4.389 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.292 -5.254 2.775 1.00 0.00 H new ATOM 778 N GLN A 53 8.970 -5.479 0.420 1.00 0.00 N ATOM 779 CA GLN A 53 9.434 -6.855 0.394 1.00 0.00 C ATOM 780 C GLN A 53 10.090 -7.220 1.727 1.00 0.00 C ATOM 781 O GLN A 53 11.309 -7.369 1.803 1.00 0.00 O ATOM 782 CB GLN A 53 10.397 -7.086 -0.772 1.00 0.00 C ATOM 783 CG GLN A 53 9.661 -7.655 -1.987 1.00 0.00 C ATOM 784 CD GLN A 53 9.479 -6.586 -3.067 1.00 0.00 C ATOM 785 OE1 GLN A 53 9.919 -6.727 -4.196 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.807 -5.513 -2.659 1.00 0.00 N ATOM 0 H GLN A 53 9.461 -4.851 -0.216 1.00 0.00 H new ATOM 0 HA GLN A 53 8.572 -7.506 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.879 -6.146 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.186 -7.773 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.221 -8.497 -2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.687 -8.037 -1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.466 -5.459 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.633 -4.744 -3.306 1.00 0.00 H new ATOM 795 N GLU A 54 9.253 -7.353 2.745 1.00 0.00 N ATOM 796 CA GLU A 54 9.736 -7.697 4.072 1.00 0.00 C ATOM 797 C GLU A 54 10.748 -8.842 3.987 1.00 0.00 C ATOM 798 O GLU A 54 10.418 -9.934 3.526 1.00 0.00 O ATOM 799 CB GLU A 54 8.576 -8.058 5.001 1.00 0.00 C ATOM 800 CG GLU A 54 8.144 -9.512 4.800 1.00 0.00 C ATOM 801 CD GLU A 54 9.002 -10.461 5.640 1.00 0.00 C ATOM 802 OE1 GLU A 54 9.863 -9.940 6.382 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.777 -11.684 5.522 1.00 0.00 O ATOM 0 H GLU A 54 8.243 -7.229 2.678 1.00 0.00 H new ATOM 0 HA GLU A 54 10.237 -6.825 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.874 -7.904 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.732 -7.395 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.095 -9.625 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.227 -9.777 3.746 1.00 0.00 H new ATOM 810 N ALA A 55 11.959 -8.554 4.439 1.00 0.00 N ATOM 811 CA ALA A 55 13.021 -9.545 4.421 1.00 0.00 C ATOM 812 C ALA A 55 14.095 -9.156 5.439 1.00 0.00 C ATOM 813 O ALA A 55 14.406 -7.977 5.598 1.00 0.00 O ATOM 814 CB ALA A 55 13.581 -9.668 3.002 1.00 0.00 C ATOM 0 H ALA A 55 12.229 -7.647 4.820 1.00 0.00 H new ATOM 0 HA ALA A 55 12.636 -10.524 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.378 -10.412 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.786 -9.976 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.978 -8.704 2.683 1.00 0.00 H new ATOM 820 N GLU A 56 14.631 -10.170 6.103 1.00 0.00 N ATOM 821 CA GLU A 56 15.663 -9.949 7.101 1.00 0.00 C ATOM 822 C GLU A 56 17.050 -10.123 6.479 1.00 0.00 C ATOM 823 O GLU A 56 17.858 -9.195 6.485 1.00 0.00 O ATOM 824 CB GLU A 56 15.478 -10.884 8.298 1.00 0.00 C ATOM 825 CG GLU A 56 14.373 -10.374 9.226 1.00 0.00 C ATOM 826 CD GLU A 56 14.023 -11.420 10.287 1.00 0.00 C ATOM 827 OE1 GLU A 56 14.976 -12.028 10.821 1.00 0.00 O ATOM 828 OE2 GLU A 56 12.810 -11.587 10.540 1.00 0.00 O ATOM 0 H GLU A 56 14.370 -11.147 5.969 1.00 0.00 H new ATOM 0 HA GLU A 56 15.575 -8.925 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.230 -11.886 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.414 -10.963 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.696 -9.453 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.485 -10.132 8.642 1.00 0.00 H new ATOM 835 N CYS A 57 17.283 -11.318 5.957 1.00 0.00 N ATOM 836 CA CYS A 57 18.558 -11.625 5.332 1.00 0.00 C ATOM 837 C CYS A 57 18.302 -11.982 3.866 1.00 0.00 C ATOM 838 O CYS A 57 17.157 -12.189 3.465 1.00 0.00 O ATOM 839 CB CYS A 57 19.295 -12.744 6.071 1.00 0.00 C ATOM 840 SG CYS A 57 18.441 -14.363 6.061 1.00 0.00 S ATOM 0 H CYS A 57 16.611 -12.085 5.954 1.00 0.00 H new ATOM 0 HA CYS A 57 19.210 -10.753 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 57 20.282 -12.867 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 57 19.449 -12.437 7.105 1.00 0.00 H new ATOM 0 HG CYS A 57 19.154 -15.234 6.712 1.00 0.00 H new ATOM 845 N THR A 58 19.385 -12.043 3.106 1.00 0.00 N ATOM 846 CA THR A 58 19.292 -12.371 1.694 1.00 0.00 C ATOM 847 C THR A 58 20.532 -13.145 1.243 1.00 0.00 C ATOM 848 O THR A 58 21.603 -13.006 1.832 1.00 0.00 O ATOM 849 CB THR A 58 19.072 -11.070 0.920 1.00 0.00 C ATOM 850 OG1 THR A 58 18.864 -11.496 -0.424 1.00 0.00 O ATOM 851 CG2 THR A 58 20.337 -10.211 0.847 1.00 0.00 C ATOM 0 H THR A 58 20.333 -11.871 3.442 1.00 0.00 H new ATOM 0 HA THR A 58 18.447 -13.030 1.496 1.00 0.00 H new ATOM 0 HB THR A 58 18.272 -10.499 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.711 -10.714 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.126 -9.300 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.659 -9.951 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.128 -10.770 0.346 1.00 0.00 H new ATOM 859 N PHE A 59 20.346 -13.943 0.201 1.00 0.00 N ATOM 860 CA PHE A 59 21.437 -14.738 -0.336 1.00 0.00 C ATOM 861 C PHE A 59 22.272 -15.354 0.789 1.00 0.00 C ATOM 862 O PHE A 59 21.782 -15.535 1.903 1.00 0.00 O ATOM 863 CB PHE A 59 22.321 -13.793 -1.152 1.00 0.00 C ATOM 864 CG PHE A 59 22.574 -14.262 -2.587 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.559 -14.261 -3.492 1.00 0.00 C ATOM 866 CD2 PHE A 59 23.815 -14.679 -2.956 1.00 0.00 C ATOM 867 CE1 PHE A 59 21.794 -14.696 -4.823 1.00 0.00 C ATOM 868 CE2 PHE A 59 24.050 -15.113 -4.288 1.00 0.00 C ATOM 869 CZ PHE A 59 23.035 -15.113 -5.193 1.00 0.00 C ATOM 0 H PHE A 59 19.456 -14.056 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 59 21.040 -15.550 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 59 21.854 -12.808 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 59 23.278 -13.678 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 59 20.574 -13.929 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 59 24.621 -14.680 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 59 20.988 -14.696 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 59 25.035 -15.443 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 59 23.214 -15.444 -6.205 1.00 0.00 H new TER 879 PHE A 59