USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 MET CE :methyl -139:sc= -3.97! (180deg=-10.6!) USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= -0.534 USER MOD Set 2.1: A 32 MET CE :methyl -100:sc= -0.191 (180deg=-0.821) USER MOD Set 2.2: A 40 THR OG1 : rot -110:sc= -1.8! USER MOD Set 3.1: A 11 LYS NZ :NH3+ -116:sc= 0.352 (180deg=0) USER MOD Set 3.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.181 F(o=-0.7,f=-0.18) USER MOD Single : A 23 SER OG : rot 180:sc= -0.741 USER MOD Single : A 29 GLN :FLIP amide:sc= -1.29 F(o=-1.9,f=-1.3) USER MOD Single : A 31 TYR OH : rot 50:sc= -1.04 USER MOD Single : A 36 CYS SG : rot 81:sc= 0.325 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0447 K(o=-0.045,f=-2.3) USER MOD Single : A 51 SER OG : rot -87:sc= 1.38 USER MOD Single : A 52 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.586) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.72 K(o=-0.72,f=-2.5!) USER MOD Single : A 82 SER OG : rot 142:sc= 1.55 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= -0.331 (180deg=-1.06) USER MOD Single : A 100 THR OG1 : rot -120:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 9 -7.979 11.873 -4.275 1.00 0.00 N ATOM 12 CA ASP A 9 -7.027 10.893 -3.763 1.00 0.00 C ATOM 13 C ASP A 9 -7.194 10.710 -2.257 1.00 0.00 C ATOM 14 O ASP A 9 -6.867 11.600 -1.473 1.00 0.00 O ATOM 15 CB ASP A 9 -5.595 11.326 -4.084 1.00 0.00 C ATOM 16 CG ASP A 9 -4.977 10.499 -5.194 1.00 0.00 C ATOM 17 OD1 ASP A 9 -4.769 9.285 -4.984 1.00 0.00 O ATOM 18 OD2 ASP A 9 -4.700 11.064 -6.272 1.00 0.00 O ATOM 0 HA ASP A 9 -7.226 9.938 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.592 12.377 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.982 11.240 -3.186 1.00 0.00 H new ATOM 23 N ARG A 10 -7.704 9.549 -1.861 1.00 0.00 N ATOM 24 CA ARG A 10 -7.914 9.248 -0.450 1.00 0.00 C ATOM 25 C ARG A 10 -7.529 7.804 -0.136 1.00 0.00 C ATOM 26 O ARG A 10 -7.636 6.924 -0.990 1.00 0.00 O ATOM 27 CB ARG A 10 -9.375 9.491 -0.066 1.00 0.00 C ATOM 28 CG ARG A 10 -9.950 10.776 -0.639 1.00 0.00 C ATOM 29 CD ARG A 10 -10.761 10.511 -1.898 1.00 0.00 C ATOM 30 NE ARG A 10 -12.195 10.458 -1.622 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.084 9.870 -2.420 1.00 0.00 C ATOM 32 NH1 ARG A 10 -12.692 9.285 -3.546 1.00 0.00 N ATOM 33 NH2 ARG A 10 -14.368 9.867 -2.092 1.00 0.00 N ATOM 0 H ARG A 10 -7.980 8.801 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.276 9.911 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.977 8.649 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.456 9.519 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.582 11.258 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.140 11.469 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.561 11.294 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.442 9.569 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.535 10.898 -0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.705 9.284 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.378 8.836 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.675 10.315 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.049 9.417 -2.703 1.00 0.00 H new ATOM 47 N LYS A 11 -7.084 7.572 1.094 1.00 0.00 N ATOM 48 CA LYS A 11 -6.687 6.239 1.528 1.00 0.00 C ATOM 49 C LYS A 11 -6.979 6.056 3.011 1.00 0.00 C ATOM 50 O LYS A 11 -6.703 6.941 3.818 1.00 0.00 O ATOM 51 CB LYS A 11 -5.198 6.012 1.255 1.00 0.00 C ATOM 52 CG LYS A 11 -4.312 7.153 1.725 1.00 0.00 C ATOM 53 CD LYS A 11 -3.003 7.195 0.953 1.00 0.00 C ATOM 54 CE LYS A 11 -1.877 6.525 1.726 1.00 0.00 C ATOM 55 NZ LYS A 11 -0.537 6.962 1.247 1.00 0.00 N ATOM 0 H LYS A 11 -6.989 8.293 1.810 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.264 5.506 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.883 5.092 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.052 5.867 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.839 8.099 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.105 7.040 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.131 6.698 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.736 8.231 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.977 6.757 2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.963 5.443 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.030 6.148 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.651 7.695 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.008 7.348 2.044 1.00 0.00 H new ATOM 69 N LEU A 12 -7.536 4.904 3.365 1.00 0.00 N ATOM 70 CA LEU A 12 -7.876 4.601 4.755 1.00 0.00 C ATOM 71 C LEU A 12 -6.703 3.959 5.466 1.00 0.00 C ATOM 72 O LEU A 12 -5.797 3.407 4.842 1.00 0.00 O ATOM 73 CB LEU A 12 -9.074 3.659 4.800 1.00 0.00 C ATOM 74 CG LEU A 12 -8.755 2.277 4.270 1.00 0.00 C ATOM 75 CD1 LEU A 12 -8.995 1.216 5.332 1.00 0.00 C ATOM 76 CD2 LEU A 12 -9.552 1.978 3.009 1.00 0.00 C ATOM 0 H LEU A 12 -7.764 4.159 2.707 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.124 5.535 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.427 3.576 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.889 4.087 4.217 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.697 2.255 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.758 0.233 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.359 1.414 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.041 1.239 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.304 0.979 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.618 2.029 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.306 2.711 2.241 1.00 0.00 H new ATOM 88 N CYS A 13 -6.734 4.052 6.778 1.00 0.00 N ATOM 89 CA CYS A 13 -5.672 3.493 7.609 1.00 0.00 C ATOM 90 C CYS A 13 -6.196 3.067 8.975 1.00 0.00 C ATOM 91 O CYS A 13 -7.351 3.320 9.320 1.00 0.00 O ATOM 92 CB CYS A 13 -4.546 4.513 7.782 1.00 0.00 C ATOM 93 SG CYS A 13 -3.334 4.524 6.422 1.00 0.00 S ATOM 0 H CYS A 13 -7.482 4.509 7.300 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.287 2.608 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.983 5.508 7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.025 4.307 8.717 1.00 0.00 H new ATOM 98 N ALA A 14 -5.329 2.424 9.750 1.00 0.00 N ATOM 99 CA ALA A 14 -5.682 1.964 11.085 1.00 0.00 C ATOM 100 C ALA A 14 -5.912 3.141 12.025 1.00 0.00 C ATOM 101 O ALA A 14 -5.017 3.536 12.771 1.00 0.00 O ATOM 102 CB ALA A 14 -4.596 1.053 11.633 1.00 0.00 C ATOM 0 H ALA A 14 -4.371 2.209 9.473 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.612 1.400 11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.873 0.716 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.481 0.189 10.978 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.654 1.599 11.683 1.00 0.00 H new ATOM 108 N ASP A 15 -7.117 3.702 11.983 1.00 0.00 N ATOM 109 CA ASP A 15 -7.462 4.837 12.831 1.00 0.00 C ATOM 110 C ASP A 15 -6.622 6.059 12.469 1.00 0.00 C ATOM 111 O ASP A 15 -5.794 6.007 11.560 1.00 0.00 O ATOM 112 CB ASP A 15 -7.263 4.481 14.307 1.00 0.00 C ATOM 113 CG ASP A 15 -8.561 4.092 14.987 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.549 4.844 14.856 1.00 0.00 O ATOM 115 OD2 ASP A 15 -8.590 3.033 15.649 1.00 0.00 O ATOM 0 H ASP A 15 -7.870 3.389 11.371 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.512 5.078 12.665 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.553 3.658 14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.824 5.332 14.827 1.00 0.00 H new ATOM 120 N GLN A 16 -6.843 7.156 13.186 1.00 0.00 N ATOM 121 CA GLN A 16 -6.107 8.392 12.938 1.00 0.00 C ATOM 122 C GLN A 16 -4.644 8.246 13.344 1.00 0.00 C ATOM 123 O GLN A 16 -4.198 8.838 14.327 1.00 0.00 O ATOM 124 CB GLN A 16 -6.748 9.552 13.700 1.00 0.00 C ATOM 125 CG GLN A 16 -8.161 9.877 13.241 1.00 0.00 C ATOM 126 CD GLN A 16 -8.567 11.300 13.568 1.00 0.00 C ATOM 127 OE1 GLN A 16 -9.104 12.015 12.721 1.00 0.00 O ATOM 128 NE2 GLN A 16 -8.312 11.719 14.803 1.00 0.00 N ATOM 0 H GLN A 16 -7.525 7.215 13.943 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.148 8.602 11.869 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.767 9.311 14.763 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.125 10.439 13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.235 9.720 12.165 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.860 9.186 13.712 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.865 11.092 15.472 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.563 12.668 15.082 1.00 0.00 H new ATOM 137 N GLU A 17 -3.898 7.455 12.578 1.00 0.00 N ATOM 138 CA GLU A 17 -2.486 7.234 12.855 1.00 0.00 C ATOM 139 C GLU A 17 -1.815 6.493 11.704 1.00 0.00 C ATOM 140 O GLU A 17 -0.750 6.893 11.231 1.00 0.00 O ATOM 141 CB GLU A 17 -2.316 6.445 14.155 1.00 0.00 C ATOM 142 CG GLU A 17 -3.099 5.143 14.182 1.00 0.00 C ATOM 143 CD GLU A 17 -3.071 4.476 15.543 1.00 0.00 C ATOM 144 OE1 GLU A 17 -1.973 4.081 15.988 1.00 0.00 O ATOM 145 OE2 GLU A 17 -4.148 4.348 16.164 1.00 0.00 O ATOM 0 H GLU A 17 -4.250 6.957 11.760 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.007 8.207 12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.258 6.227 14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.632 7.067 14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.133 5.339 13.898 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.688 4.460 13.438 1.00 0.00 H new ATOM 152 N CYS A 18 -2.443 5.411 11.257 1.00 0.00 N ATOM 153 CA CYS A 18 -1.906 4.612 10.161 1.00 0.00 C ATOM 154 C CYS A 18 -0.529 4.062 10.514 1.00 0.00 C ATOM 155 O CYS A 18 0.341 3.934 9.652 1.00 0.00 O ATOM 156 CB CYS A 18 -1.820 5.451 8.884 1.00 0.00 C ATOM 157 SG CYS A 18 -1.540 4.474 7.371 1.00 0.00 S ATOM 0 H CYS A 18 -3.325 5.067 11.637 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.581 3.773 9.992 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.744 6.018 8.772 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.012 6.175 8.991 1.00 0.00 H new ATOM 162 N SER A 19 -0.336 3.738 11.789 1.00 0.00 N ATOM 163 CA SER A 19 0.937 3.200 12.257 1.00 0.00 C ATOM 164 C SER A 19 0.914 1.675 12.268 1.00 0.00 C ATOM 165 O SER A 19 1.812 1.028 11.729 1.00 0.00 O ATOM 166 CB SER A 19 1.252 3.727 13.658 1.00 0.00 C ATOM 167 OG SER A 19 2.609 3.501 13.996 1.00 0.00 O ATOM 0 H SER A 19 -1.044 3.839 12.516 1.00 0.00 H new ATOM 0 HA SER A 19 1.716 3.528 11.569 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.035 4.794 13.705 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.606 3.238 14.387 1.00 0.00 H new ATOM 0 HG SER A 19 2.784 3.849 14.895 1.00 0.00 H new ATOM 173 N HIS A 20 -0.117 1.106 12.884 1.00 0.00 N ATOM 174 CA HIS A 20 -0.253 -0.343 12.964 1.00 0.00 C ATOM 175 C HIS A 20 -0.439 -0.949 11.575 1.00 0.00 C ATOM 176 O HIS A 20 -0.975 -0.305 10.674 1.00 0.00 O ATOM 177 CB HIS A 20 -1.435 -0.717 13.863 1.00 0.00 C ATOM 178 CG HIS A 20 -1.022 -1.220 15.211 1.00 0.00 C ATOM 179 ND1 HIS A 20 0.179 -1.654 15.665 1.00 0.00 N flip ATOM 180 CD2 HIS A 20 -1.891 -1.321 16.278 1.00 0.00 C flip ATOM 181 CE1 HIS A 20 0.013 -2.005 16.982 1.00 0.00 C flip ATOM 182 NE2 HIS A 20 -1.243 -1.795 17.328 1.00 0.00 N flip ATOM 0 H HIS A 20 -0.870 1.626 13.335 1.00 0.00 H new ATOM 0 HA HIS A 20 0.663 -0.747 13.396 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.076 0.156 13.990 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.032 -1.481 13.366 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.937 -1.054 16.258 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.786 -2.391 17.630 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.645 -1.969 18.249 1.00 0.00 H new ATOM 191 N PRO A 21 0.011 -2.202 11.383 1.00 0.00 N ATOM 192 CA PRO A 21 -0.104 -2.893 10.095 1.00 0.00 C ATOM 193 C PRO A 21 -1.529 -3.346 9.801 1.00 0.00 C ATOM 194 O PRO A 21 -2.270 -3.729 10.707 1.00 0.00 O ATOM 195 CB PRO A 21 0.818 -4.100 10.265 1.00 0.00 C ATOM 196 CG PRO A 21 0.809 -4.377 11.727 1.00 0.00 C ATOM 197 CD PRO A 21 0.667 -3.040 12.404 1.00 0.00 C ATOM 0 HA PRO A 21 0.162 -2.247 9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.457 -4.957 9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.825 -3.883 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.016 -5.038 11.993 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.729 -4.874 12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.066 -3.112 13.311 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.635 -2.633 12.695 1.00 0.00 H new ATOM 205 N ILE A 22 -1.906 -3.302 8.527 1.00 0.00 N ATOM 206 CA ILE A 22 -3.241 -3.709 8.107 1.00 0.00 C ATOM 207 C ILE A 22 -3.387 -5.223 8.145 1.00 0.00 C ATOM 208 O ILE A 22 -4.396 -5.754 8.606 1.00 0.00 O ATOM 209 CB ILE A 22 -3.560 -3.202 6.675 1.00 0.00 C ATOM 210 CG1 ILE A 22 -4.947 -2.557 6.641 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.472 -4.333 5.644 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.050 -1.300 7.478 1.00 0.00 C ATOM 0 H ILE A 22 -1.304 -2.988 7.766 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.947 -3.262 8.807 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.812 -2.455 6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.203 -2.318 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.683 -3.279 6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.702 -3.941 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.464 -4.749 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.187 -5.115 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.060 -0.897 7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.826 -1.536 8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.338 -0.560 7.113 1.00 0.00 H new ATOM 224 N SER A 23 -2.379 -5.906 7.625 1.00 0.00 N ATOM 225 CA SER A 23 -2.385 -7.354 7.558 1.00 0.00 C ATOM 226 C SER A 23 -1.118 -7.858 6.890 1.00 0.00 C ATOM 227 O SER A 23 -0.172 -7.102 6.667 1.00 0.00 O ATOM 228 CB SER A 23 -3.614 -7.835 6.775 1.00 0.00 C ATOM 229 OG SER A 23 -3.623 -7.299 5.464 1.00 0.00 O ATOM 0 H SER A 23 -1.540 -5.473 7.240 1.00 0.00 H new ATOM 0 HA SER A 23 -2.427 -7.751 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.615 -8.924 6.726 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.522 -7.538 7.299 1.00 0.00 H new ATOM 0 HG SER A 23 -4.415 -7.621 4.984 1.00 0.00 H new ATOM 235 N MET A 24 -1.115 -9.136 6.574 1.00 0.00 N ATOM 236 CA MET A 24 0.030 -9.763 5.921 1.00 0.00 C ATOM 237 C MET A 24 -0.389 -10.431 4.617 1.00 0.00 C ATOM 238 O MET A 24 -1.407 -11.121 4.562 1.00 0.00 O ATOM 239 CB MET A 24 0.676 -10.793 6.848 1.00 0.00 C ATOM 240 CG MET A 24 2.179 -10.918 6.664 1.00 0.00 C ATOM 241 SD MET A 24 2.838 -12.448 7.357 1.00 0.00 S ATOM 242 CE MET A 24 4.552 -11.995 7.611 1.00 0.00 C ATOM 0 H MET A 24 -1.894 -9.769 6.757 1.00 0.00 H new ATOM 0 HA MET A 24 0.757 -8.983 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.466 -10.521 7.882 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.215 -11.765 6.675 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.416 -10.873 5.601 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.671 -10.068 7.136 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.195 -12.827 7.324 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.792 -11.124 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.714 -11.758 8.662 1.00 0.00 H new ATOM 252 N ALA A 25 0.401 -10.225 3.567 1.00 0.00 N ATOM 253 CA ALA A 25 0.100 -10.812 2.268 1.00 0.00 C ATOM 254 C ALA A 25 1.367 -11.143 1.494 1.00 0.00 C ATOM 255 O ALA A 25 2.290 -10.334 1.412 1.00 0.00 O ATOM 256 CB ALA A 25 -0.792 -9.882 1.460 1.00 0.00 C ATOM 0 H ALA A 25 1.249 -9.659 3.591 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.432 -11.747 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.008 -10.335 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.725 -9.714 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.283 -8.930 1.310 1.00 0.00 H new ATOM 262 N VAL A 26 1.401 -12.344 0.926 1.00 0.00 N ATOM 263 CA VAL A 26 2.550 -12.796 0.155 1.00 0.00 C ATOM 264 C VAL A 26 2.311 -12.636 -1.342 1.00 0.00 C ATOM 265 O VAL A 26 1.176 -12.692 -1.811 1.00 0.00 O ATOM 266 CB VAL A 26 2.880 -14.269 0.455 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.185 -14.675 -0.212 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.942 -14.508 1.956 1.00 0.00 C ATOM 0 H VAL A 26 0.642 -13.023 0.986 1.00 0.00 H new ATOM 0 HA VAL A 26 3.393 -12.172 0.452 1.00 0.00 H new ATOM 0 HB VAL A 26 2.083 -14.889 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.399 -15.720 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.097 -14.547 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.995 -14.050 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.176 -15.555 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.716 -13.877 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.979 -14.264 2.403 1.00 0.00 H new ATOM 278 N ALA A 27 3.391 -12.437 -2.084 1.00 0.00 N ATOM 279 CA ALA A 27 3.311 -12.269 -3.528 1.00 0.00 C ATOM 280 C ALA A 27 2.787 -13.531 -4.201 1.00 0.00 C ATOM 281 O ALA A 27 3.321 -14.621 -3.999 1.00 0.00 O ATOM 282 CB ALA A 27 4.675 -11.900 -4.089 1.00 0.00 C ATOM 0 H ALA A 27 4.338 -12.388 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 27 2.610 -11.461 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.603 -11.777 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.013 -10.966 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.389 -12.692 -3.861 1.00 0.00 H new ATOM 288 N LEU A 28 1.741 -13.375 -5.005 1.00 0.00 N ATOM 289 CA LEU A 28 1.147 -14.503 -5.713 1.00 0.00 C ATOM 290 C LEU A 28 1.794 -14.697 -7.084 1.00 0.00 C ATOM 291 O LEU A 28 1.421 -15.604 -7.828 1.00 0.00 O ATOM 292 CB LEU A 28 -0.359 -14.293 -5.875 1.00 0.00 C ATOM 293 CG LEU A 28 -1.169 -15.570 -6.106 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.669 -16.130 -4.784 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.334 -15.299 -7.047 1.00 0.00 C ATOM 0 H LEU A 28 1.287 -12.479 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 28 1.324 -15.401 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.739 -13.796 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.528 -13.617 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.519 -16.312 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.243 -17.038 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.819 -16.361 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.304 -15.392 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.899 -16.218 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.985 -14.541 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.953 -14.943 -8.004 1.00 0.00 H new ATOM 307 N GLN A 29 2.770 -13.846 -7.410 1.00 0.00 N ATOM 308 CA GLN A 29 3.474 -13.923 -8.683 1.00 0.00 C ATOM 309 C GLN A 29 4.297 -12.664 -8.926 1.00 0.00 C ATOM 310 O GLN A 29 4.238 -11.706 -8.155 1.00 0.00 O ATOM 311 CB GLN A 29 2.500 -14.130 -9.845 1.00 0.00 C ATOM 312 CG GLN A 29 1.315 -13.179 -9.823 1.00 0.00 C ATOM 313 CD GLN A 29 -0.014 -13.895 -9.965 1.00 0.00 C ATOM 314 OE1 GLN A 29 -1.061 -13.319 -9.383 1.00 0.00 O flip ATOM 315 NE2 GLN A 29 -0.098 -14.953 -10.587 1.00 0.00 N flip ATOM 0 H GLN A 29 3.089 -13.092 -6.802 1.00 0.00 H new ATOM 0 HA GLN A 29 4.143 -14.782 -8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.037 -14.006 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.132 -15.156 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.322 -12.618 -8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.421 -12.455 -10.631 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.733 -15.359 -11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.998 -15.425 -10.672 1.00 0.00 H new ATOM 324 N ASP A 30 5.064 -12.677 -10.010 1.00 0.00 N ATOM 325 CA ASP A 30 5.903 -11.540 -10.372 1.00 0.00 C ATOM 326 C ASP A 30 5.048 -10.362 -10.825 1.00 0.00 C ATOM 327 O ASP A 30 4.000 -10.547 -11.445 1.00 0.00 O ATOM 328 CB ASP A 30 6.882 -11.933 -11.479 1.00 0.00 C ATOM 329 CG ASP A 30 7.898 -10.844 -11.766 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.405 -10.237 -10.800 1.00 0.00 O ATOM 331 OD2 ASP A 30 8.186 -10.599 -12.957 1.00 0.00 O ATOM 0 H ASP A 30 5.122 -13.465 -10.655 1.00 0.00 H new ATOM 0 HA ASP A 30 6.469 -11.239 -9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.403 -12.846 -11.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.326 -12.156 -12.390 1.00 0.00 H new ATOM 336 N TYR A 31 5.495 -9.151 -10.510 1.00 0.00 N ATOM 337 CA TYR A 31 4.759 -7.948 -10.884 1.00 0.00 C ATOM 338 C TYR A 31 5.657 -6.712 -10.838 1.00 0.00 C ATOM 339 O TYR A 31 5.783 -6.065 -9.799 1.00 0.00 O ATOM 340 CB TYR A 31 3.555 -7.766 -9.956 1.00 0.00 C ATOM 341 CG TYR A 31 2.844 -6.442 -10.119 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.117 -6.157 -11.268 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.898 -5.478 -9.120 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.465 -4.949 -11.417 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.249 -4.268 -9.261 1.00 0.00 C ATOM 346 CZ TYR A 31 1.533 -4.008 -10.411 1.00 0.00 C ATOM 347 OH TYR A 31 0.883 -2.804 -10.556 1.00 0.00 O ATOM 0 H TYR A 31 6.360 -8.976 -9.999 1.00 0.00 H new ATOM 0 HA TYR A 31 4.408 -8.066 -11.909 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.845 -8.572 -10.138 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.889 -7.862 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.061 -6.892 -12.057 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.457 -5.679 -8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.905 -4.742 -12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.301 -3.529 -8.475 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.045 -2.964 -10.828 1.00 0.00 H new ATOM 357 N MET A 32 6.280 -6.395 -11.970 1.00 0.00 N ATOM 358 CA MET A 32 7.161 -5.256 -12.067 1.00 0.00 C ATOM 359 C MET A 32 6.394 -3.951 -11.871 1.00 0.00 C ATOM 360 O MET A 32 5.271 -3.802 -12.351 1.00 0.00 O ATOM 361 CB MET A 32 7.871 -5.247 -13.423 1.00 0.00 C ATOM 362 CG MET A 32 9.248 -5.889 -13.394 1.00 0.00 C ATOM 363 SD MET A 32 9.208 -7.596 -12.813 1.00 0.00 S ATOM 364 CE MET A 32 10.676 -7.639 -11.788 1.00 0.00 C ATOM 0 H MET A 32 6.183 -6.924 -12.837 1.00 0.00 H new ATOM 0 HA MET A 32 7.906 -5.338 -11.275 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.251 -5.770 -14.152 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.967 -4.217 -13.767 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.679 -5.860 -14.395 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.903 -5.305 -12.748 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.492 -8.104 -12.341 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.957 -6.623 -11.512 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.473 -8.217 -10.886 1.00 0.00 H new ATOM 374 N ALA A 33 7.011 -3.014 -11.151 1.00 0.00 N ATOM 375 CA ALA A 33 6.408 -1.722 -10.868 1.00 0.00 C ATOM 376 C ALA A 33 5.633 -1.172 -12.067 1.00 0.00 C ATOM 377 O ALA A 33 6.066 -1.312 -13.212 1.00 0.00 O ATOM 378 CB ALA A 33 7.478 -0.732 -10.433 1.00 0.00 C ATOM 0 H ALA A 33 7.941 -3.134 -10.750 1.00 0.00 H new ATOM 0 HA ALA A 33 5.693 -1.864 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.017 0.233 -10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.972 -1.101 -9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.213 -0.617 -11.230 1.00 0.00 H new ATOM 384 N PRO A 34 4.473 -0.535 -11.821 1.00 0.00 N ATOM 385 CA PRO A 34 3.644 0.036 -12.888 1.00 0.00 C ATOM 386 C PRO A 34 4.410 1.043 -13.738 1.00 0.00 C ATOM 387 O PRO A 34 4.421 0.953 -14.966 1.00 0.00 O ATOM 388 CB PRO A 34 2.509 0.734 -12.134 1.00 0.00 C ATOM 389 CG PRO A 34 2.467 0.073 -10.800 1.00 0.00 C ATOM 390 CD PRO A 34 3.882 -0.320 -10.487 1.00 0.00 C ATOM 0 HA PRO A 34 3.301 -0.729 -13.585 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.698 1.803 -12.039 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.560 0.624 -12.659 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.073 0.750 -10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.815 -0.800 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.405 0.462 -9.936 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.924 -1.223 -9.877 1.00 0.00 H new ATOM 398 N ASP A 35 5.049 2.004 -13.077 1.00 0.00 N ATOM 399 CA ASP A 35 5.815 3.030 -13.775 1.00 0.00 C ATOM 400 C ASP A 35 6.608 3.884 -12.790 1.00 0.00 C ATOM 401 O ASP A 35 6.648 3.597 -11.593 1.00 0.00 O ATOM 402 CB ASP A 35 4.880 3.916 -14.601 1.00 0.00 C ATOM 403 CG ASP A 35 3.861 4.638 -13.742 1.00 0.00 C ATOM 404 OD1 ASP A 35 4.243 5.612 -13.059 1.00 0.00 O ATOM 405 OD2 ASP A 35 2.681 4.231 -13.752 1.00 0.00 O ATOM 0 H ASP A 35 5.051 2.093 -12.061 1.00 0.00 H new ATOM 0 HA ASP A 35 6.519 2.533 -14.442 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.470 4.648 -15.152 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.361 3.304 -15.339 1.00 0.00 H new ATOM 410 N CYS A 36 7.241 4.935 -13.304 1.00 0.00 N ATOM 411 CA CYS A 36 8.035 5.836 -12.477 1.00 0.00 C ATOM 412 C CYS A 36 9.216 5.098 -11.841 1.00 0.00 C ATOM 413 O CYS A 36 10.294 5.021 -12.432 1.00 0.00 O ATOM 414 CB CYS A 36 7.160 6.482 -11.398 1.00 0.00 C ATOM 415 SG CYS A 36 6.172 7.894 -11.989 1.00 0.00 S ATOM 0 H CYS A 36 7.219 5.183 -14.293 1.00 0.00 H new ATOM 0 HA CYS A 36 8.434 6.622 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.488 5.727 -10.990 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.798 6.816 -10.580 1.00 0.00 H new ATOM 0 HG CYS A 36 5.109 7.456 -12.595 1.00 0.00 H new ATOM 420 N ARG A 37 9.014 4.559 -10.641 1.00 0.00 N ATOM 421 CA ARG A 37 10.069 3.837 -9.943 1.00 0.00 C ATOM 422 C ARG A 37 9.514 3.106 -8.723 1.00 0.00 C ATOM 423 O ARG A 37 10.178 3.007 -7.692 1.00 0.00 O ATOM 424 CB ARG A 37 11.184 4.795 -9.513 1.00 0.00 C ATOM 425 CG ARG A 37 10.712 6.210 -9.211 1.00 0.00 C ATOM 426 CD ARG A 37 11.869 7.197 -9.236 1.00 0.00 C ATOM 427 NE ARG A 37 11.410 8.583 -9.174 1.00 0.00 N ATOM 428 CZ ARG A 37 11.139 9.227 -8.040 1.00 0.00 C ATOM 429 NH1 ARG A 37 11.270 8.613 -6.870 1.00 0.00 N ATOM 430 NH2 ARG A 37 10.734 10.489 -8.077 1.00 0.00 N ATOM 0 H ARG A 37 8.130 4.610 -10.134 1.00 0.00 H new ATOM 0 HA ARG A 37 10.482 3.100 -10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.673 4.391 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.936 4.836 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.961 6.509 -9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.232 6.234 -8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.533 6.998 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.452 7.049 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 37 11.290 9.088 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.580 7.642 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.061 9.113 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.630 10.965 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.526 10.984 -7.209 1.00 0.00 H new ATOM 444 N PHE A 38 8.294 2.597 -8.848 1.00 0.00 N ATOM 445 CA PHE A 38 7.651 1.876 -7.755 1.00 0.00 C ATOM 446 C PHE A 38 8.402 0.586 -7.438 1.00 0.00 C ATOM 447 O PHE A 38 9.400 0.262 -8.080 1.00 0.00 O ATOM 448 CB PHE A 38 6.197 1.561 -8.109 1.00 0.00 C ATOM 449 CG PHE A 38 5.276 2.740 -7.968 1.00 0.00 C ATOM 450 CD1 PHE A 38 4.943 3.229 -6.715 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.745 3.358 -9.088 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.096 4.313 -6.582 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.899 4.444 -8.961 1.00 0.00 C ATOM 454 CZ PHE A 38 3.574 4.922 -7.707 1.00 0.00 C ATOM 0 H PHE A 38 7.730 2.670 -9.695 1.00 0.00 H new ATOM 0 HA PHE A 38 7.671 2.513 -6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.152 1.196 -9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.842 0.754 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.350 2.758 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.995 2.987 -10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.842 4.684 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.493 4.918 -9.842 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.913 5.770 -7.606 1.00 0.00 H new ATOM 464 N LEU A 39 7.913 -0.148 -6.442 1.00 0.00 N ATOM 465 CA LEU A 39 8.537 -1.403 -6.038 1.00 0.00 C ATOM 466 C LEU A 39 7.816 -2.595 -6.659 1.00 0.00 C ATOM 467 O LEU A 39 6.597 -2.721 -6.549 1.00 0.00 O ATOM 468 CB LEU A 39 8.534 -1.529 -4.514 1.00 0.00 C ATOM 469 CG LEU A 39 9.723 -2.287 -3.923 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.946 -1.387 -3.848 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.375 -2.832 -2.546 1.00 0.00 C ATOM 0 H LEU A 39 7.087 0.105 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 39 9.567 -1.399 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.510 -0.528 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.615 -2.030 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 39 9.956 -3.127 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.782 -1.944 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.208 -1.045 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.726 -0.526 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.232 -3.369 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.116 -2.007 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.527 -3.512 -2.627 1.00 0.00 H new ATOM 483 N THR A 40 8.577 -3.467 -7.315 1.00 0.00 N ATOM 484 CA THR A 40 8.008 -4.647 -7.954 1.00 0.00 C ATOM 485 C THR A 40 7.746 -5.752 -6.939 1.00 0.00 C ATOM 486 O THR A 40 8.176 -5.672 -5.788 1.00 0.00 O ATOM 487 CB THR A 40 8.943 -5.166 -9.047 1.00 0.00 C ATOM 488 OG1 THR A 40 8.497 -6.419 -9.536 1.00 0.00 O ATOM 489 CG2 THR A 40 10.374 -5.339 -8.585 1.00 0.00 C ATOM 0 H THR A 40 9.588 -3.378 -7.417 1.00 0.00 H new ATOM 0 HA THR A 40 7.058 -4.355 -8.401 1.00 0.00 H new ATOM 0 HB THR A 40 8.921 -4.405 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.117 -7.122 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.981 -5.710 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.766 -4.379 -8.249 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.407 -6.053 -7.762 1.00 0.00 H new ATOM 497 N ILE A 41 7.042 -6.786 -7.382 1.00 0.00 N ATOM 498 CA ILE A 41 6.720 -7.921 -6.527 1.00 0.00 C ATOM 499 C ILE A 41 7.132 -9.230 -7.197 1.00 0.00 C ATOM 500 O ILE A 41 6.937 -9.406 -8.398 1.00 0.00 O ATOM 501 CB ILE A 41 5.214 -7.965 -6.199 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.764 -6.635 -5.592 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.906 -9.114 -5.251 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.261 -6.493 -5.494 1.00 0.00 C ATOM 0 H ILE A 41 6.682 -6.862 -8.333 1.00 0.00 H new ATOM 0 HA ILE A 41 7.276 -7.799 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 41 4.663 -8.129 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.196 -6.535 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.160 -5.818 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.838 -9.128 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.193 -10.057 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.465 -8.981 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.015 -5.526 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.823 -6.561 -6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.860 -7.289 -4.867 1.00 0.00 H new ATOM 516 N HIS A 42 7.708 -10.141 -6.418 1.00 0.00 N ATOM 517 CA HIS A 42 8.149 -11.427 -6.949 1.00 0.00 C ATOM 518 C HIS A 42 7.576 -12.584 -6.135 1.00 0.00 C ATOM 519 O HIS A 42 7.307 -12.444 -4.943 1.00 0.00 O ATOM 520 CB HIS A 42 9.677 -11.502 -6.955 1.00 0.00 C ATOM 521 CG HIS A 42 10.233 -12.302 -8.092 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.834 -11.730 -9.193 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.277 -13.641 -8.295 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.223 -12.680 -10.025 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.898 -13.849 -9.501 1.00 0.00 N ATOM 0 H HIS A 42 7.880 -10.014 -5.421 1.00 0.00 H new ATOM 0 HA HIS A 42 7.781 -11.512 -7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.082 -10.491 -7.001 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.015 -11.938 -6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.895 -14.403 -7.631 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.721 -12.527 -10.971 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.079 -14.759 -9.925 1.00 0.00 H new ATOM 534 N ARG A 43 7.391 -13.727 -6.794 1.00 0.00 N ATOM 535 CA ARG A 43 6.846 -14.916 -6.144 1.00 0.00 C ATOM 536 C ARG A 43 7.496 -15.169 -4.788 1.00 0.00 C ATOM 537 O ARG A 43 8.574 -14.651 -4.492 1.00 0.00 O ATOM 538 CB ARG A 43 7.045 -16.145 -7.035 1.00 0.00 C ATOM 539 CG ARG A 43 5.840 -16.486 -7.894 1.00 0.00 C ATOM 540 CD ARG A 43 4.577 -16.646 -7.062 1.00 0.00 C ATOM 541 NE ARG A 43 4.705 -17.718 -6.076 1.00 0.00 N ATOM 542 CZ ARG A 43 3.667 -18.334 -5.512 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.427 -17.983 -5.824 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.874 -19.304 -4.632 1.00 0.00 N ATOM 0 H ARG A 43 7.612 -13.854 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 43 5.782 -14.739 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.905 -15.976 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.284 -17.002 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.689 -15.701 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.034 -17.409 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.357 -15.708 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.734 -16.857 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 43 5.643 -18.011 -5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.263 -17.237 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.637 -18.459 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.826 -19.577 -4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.081 -19.777 -4.199 1.00 0.00 H new ATOM 558 N GLY A 44 6.827 -15.981 -3.976 1.00 0.00 N ATOM 559 CA GLY A 44 7.333 -16.321 -2.655 1.00 0.00 C ATOM 560 C GLY A 44 7.911 -15.133 -1.907 1.00 0.00 C ATOM 561 O GLY A 44 8.979 -15.233 -1.303 1.00 0.00 O ATOM 0 H GLY A 44 5.934 -16.414 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.525 -16.754 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.102 -17.087 -2.755 1.00 0.00 H new ATOM 565 N GLN A 45 7.205 -14.009 -1.944 1.00 0.00 N ATOM 566 CA GLN A 45 7.659 -12.803 -1.262 1.00 0.00 C ATOM 567 C GLN A 45 6.561 -12.244 -0.364 1.00 0.00 C ATOM 568 O GLN A 45 5.555 -11.725 -0.848 1.00 0.00 O ATOM 569 CB GLN A 45 8.089 -11.745 -2.280 1.00 0.00 C ATOM 570 CG GLN A 45 9.055 -10.716 -1.716 1.00 0.00 C ATOM 571 CD GLN A 45 9.653 -9.829 -2.790 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.565 -10.131 -3.980 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.264 -8.725 -2.375 1.00 0.00 N ATOM 0 H GLN A 45 6.318 -13.908 -2.438 1.00 0.00 H new ATOM 0 HA GLN A 45 8.515 -13.067 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.555 -12.240 -3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.203 -11.232 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.535 -10.096 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.857 -11.229 -1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.314 -8.513 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.684 -8.089 -3.053 1.00 0.00 H new ATOM 582 N VAL A 46 6.760 -12.350 0.946 1.00 0.00 N ATOM 583 CA VAL A 46 5.787 -11.851 1.905 1.00 0.00 C ATOM 584 C VAL A 46 5.749 -10.328 1.894 1.00 0.00 C ATOM 585 O VAL A 46 6.730 -9.679 1.532 1.00 0.00 O ATOM 586 CB VAL A 46 6.107 -12.343 3.329 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.065 -11.845 4.321 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.199 -13.861 3.360 1.00 0.00 C ATOM 0 H VAL A 46 7.586 -12.777 1.365 1.00 0.00 H new ATOM 0 HA VAL A 46 4.811 -12.237 1.610 1.00 0.00 H new ATOM 0 HB VAL A 46 7.074 -11.934 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.312 -12.205 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.054 -10.755 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.082 -12.218 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.426 -14.191 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.248 -14.290 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.989 -14.191 2.686 1.00 0.00 H new ATOM 598 N VAL A 47 4.614 -9.764 2.291 1.00 0.00 N ATOM 599 CA VAL A 47 4.444 -8.332 2.326 1.00 0.00 C ATOM 600 C VAL A 47 3.495 -7.919 3.449 1.00 0.00 C ATOM 601 O VAL A 47 2.565 -8.650 3.787 1.00 0.00 O ATOM 602 CB VAL A 47 3.908 -7.785 0.987 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.108 -6.283 0.882 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.551 -8.501 -0.192 1.00 0.00 C ATOM 0 H VAL A 47 3.795 -10.291 2.594 1.00 0.00 H new ATOM 0 HA VAL A 47 5.431 -7.906 2.508 1.00 0.00 H new ATOM 0 HB VAL A 47 2.836 -7.980 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.719 -5.930 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.577 -5.788 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.171 -6.052 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.155 -8.096 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.631 -8.354 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.328 -9.567 -0.136 1.00 0.00 H new ATOM 614 N TYR A 48 3.736 -6.744 4.019 1.00 0.00 N ATOM 615 CA TYR A 48 2.904 -6.233 5.102 1.00 0.00 C ATOM 616 C TYR A 48 2.178 -4.959 4.677 1.00 0.00 C ATOM 617 O TYR A 48 2.746 -3.867 4.718 1.00 0.00 O ATOM 618 CB TYR A 48 3.757 -5.958 6.342 1.00 0.00 C ATOM 619 CG TYR A 48 3.759 -7.091 7.344 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.633 -7.366 8.111 1.00 0.00 C ATOM 621 CD2 TYR A 48 4.886 -7.883 7.525 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.631 -8.400 9.028 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.890 -8.918 8.440 1.00 0.00 C ATOM 624 CZ TYR A 48 3.761 -9.172 9.189 1.00 0.00 C ATOM 625 OH TYR A 48 3.763 -10.201 10.102 1.00 0.00 O ATOM 0 H TYR A 48 4.502 -6.127 3.749 1.00 0.00 H new ATOM 0 HA TYR A 48 2.159 -6.991 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.782 -5.760 6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.392 -5.054 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.746 -6.762 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.773 -7.686 6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.748 -8.602 9.616 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.774 -9.525 8.568 1.00 0.00 H new ATOM 0 HH TYR A 48 2.856 -10.561 10.191 1.00 0.00 H new ATOM 635 N VAL A 49 0.920 -5.105 4.273 1.00 0.00 N ATOM 636 CA VAL A 49 0.116 -3.966 3.844 1.00 0.00 C ATOM 637 C VAL A 49 -0.232 -3.067 5.027 1.00 0.00 C ATOM 638 O VAL A 49 -0.676 -3.543 6.072 1.00 0.00 O ATOM 639 CB VAL A 49 -1.183 -4.425 3.153 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.956 -3.234 2.606 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.871 -5.420 2.045 1.00 0.00 C ATOM 0 H VAL A 49 0.435 -6.002 4.234 1.00 0.00 H new ATOM 0 HA VAL A 49 0.715 -3.402 3.129 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.809 -4.920 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.869 -3.583 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.213 -2.561 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.341 -2.704 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.799 -5.735 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.223 -4.950 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.368 -6.289 2.468 1.00 0.00 H new ATOM 651 N PHE A 50 -0.019 -1.767 4.856 1.00 0.00 N ATOM 652 CA PHE A 50 -0.304 -0.798 5.909 1.00 0.00 C ATOM 653 C PHE A 50 -1.427 0.151 5.501 1.00 0.00 C ATOM 654 O PHE A 50 -2.124 0.701 6.354 1.00 0.00 O ATOM 655 CB PHE A 50 0.955 0.005 6.241 1.00 0.00 C ATOM 656 CG PHE A 50 1.803 -0.619 7.312 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.224 -1.935 7.202 1.00 0.00 C ATOM 658 CD2 PHE A 50 2.180 0.110 8.428 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.006 -2.511 8.184 1.00 0.00 C ATOM 660 CE2 PHE A 50 2.963 -0.461 9.413 1.00 0.00 C ATOM 661 CZ PHE A 50 3.376 -1.773 9.291 1.00 0.00 C ATOM 0 H PHE A 50 0.350 -1.359 3.997 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.627 -1.350 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.552 0.118 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.664 1.006 6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.937 -2.517 6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.858 1.136 8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.328 -3.537 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.252 0.118 10.278 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.987 -2.221 10.060 1.00 0.00 H new ATOM 671 N SER A 51 -1.596 0.347 4.197 1.00 0.00 N ATOM 672 CA SER A 51 -2.634 1.240 3.693 1.00 0.00 C ATOM 673 C SER A 51 -3.375 0.618 2.515 1.00 0.00 C ATOM 674 O SER A 51 -2.839 -0.237 1.809 1.00 0.00 O ATOM 675 CB SER A 51 -2.024 2.577 3.274 1.00 0.00 C ATOM 676 OG SER A 51 -1.594 3.318 4.404 1.00 0.00 O ATOM 0 H SER A 51 -1.031 -0.098 3.474 1.00 0.00 H new ATOM 0 HA SER A 51 -3.350 1.406 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.180 2.402 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.758 3.156 2.714 1.00 0.00 H new ATOM 0 HG SER A 51 -2.342 3.846 4.753 1.00 0.00 H new ATOM 682 N LYS A 52 -4.613 1.057 2.308 1.00 0.00 N ATOM 683 CA LYS A 52 -5.434 0.553 1.214 1.00 0.00 C ATOM 684 C LYS A 52 -6.175 1.694 0.526 1.00 0.00 C ATOM 685 O LYS A 52 -7.347 1.945 0.808 1.00 0.00 O ATOM 686 CB LYS A 52 -6.437 -0.479 1.738 1.00 0.00 C ATOM 687 CG LYS A 52 -5.785 -1.679 2.405 1.00 0.00 C ATOM 688 CD LYS A 52 -6.637 -2.215 3.544 1.00 0.00 C ATOM 689 CE LYS A 52 -8.008 -2.657 3.057 1.00 0.00 C ATOM 690 NZ LYS A 52 -8.488 -3.872 3.773 1.00 0.00 N ATOM 0 H LYS A 52 -5.070 1.763 2.886 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.778 0.076 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.104 0.005 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.055 -0.826 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.626 -2.465 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.803 -1.396 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.129 -3.057 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.752 -1.445 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.722 -1.846 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.965 -2.860 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.373 -4.704 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.934 -4.003 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.493 -3.758 4.016 1.00 0.00 H new ATOM 704 N LEU A 53 -5.485 2.383 -0.377 1.00 0.00 N ATOM 705 CA LEU A 53 -6.079 3.498 -1.105 1.00 0.00 C ATOM 706 C LEU A 53 -7.179 3.011 -2.044 1.00 0.00 C ATOM 707 O LEU A 53 -7.058 1.953 -2.659 1.00 0.00 O ATOM 708 CB LEU A 53 -5.006 4.246 -1.900 1.00 0.00 C ATOM 709 CG LEU A 53 -5.528 5.380 -2.787 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.643 6.610 -2.661 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.610 4.927 -4.238 1.00 0.00 C ATOM 0 H LEU A 53 -4.514 2.189 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.522 4.179 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.279 4.658 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.475 3.530 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.531 5.644 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.031 7.404 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.635 6.948 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.628 6.361 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.983 5.745 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.619 4.634 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.287 4.076 -4.316 1.00 0.00 H new ATOM 723 N LYS A 54 -8.249 3.793 -2.149 1.00 0.00 N ATOM 724 CA LYS A 54 -9.369 3.441 -3.013 1.00 0.00 C ATOM 725 C LYS A 54 -9.839 4.655 -3.816 1.00 0.00 C ATOM 726 O LYS A 54 -9.080 5.603 -4.018 1.00 0.00 O ATOM 727 CB LYS A 54 -10.520 2.866 -2.181 1.00 0.00 C ATOM 728 CG LYS A 54 -11.258 3.908 -1.354 1.00 0.00 C ATOM 729 CD LYS A 54 -12.123 3.259 -0.285 1.00 0.00 C ATOM 730 CE LYS A 54 -13.575 3.157 -0.725 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.088 1.762 -0.627 1.00 0.00 N ATOM 0 H LYS A 54 -8.363 4.673 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.034 2.680 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.229 2.376 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.127 2.098 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.538 4.578 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.882 4.518 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.739 2.264 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.061 3.839 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.188 3.814 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.668 3.507 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.081 1.735 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.519 1.139 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.023 1.437 0.359 1.00 0.00 H new ATOM 745 N GLY A 55 -11.087 4.619 -4.279 1.00 0.00 N ATOM 746 CA GLY A 55 -11.616 5.722 -5.058 1.00 0.00 C ATOM 747 C GLY A 55 -10.938 5.833 -6.407 1.00 0.00 C ATOM 748 O GLY A 55 -10.068 6.680 -6.604 1.00 0.00 O ATOM 0 H GLY A 55 -11.737 3.848 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.688 5.586 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.483 6.653 -4.507 1.00 0.00 H new ATOM 752 N ARG A 56 -11.328 4.964 -7.333 1.00 0.00 N ATOM 753 CA ARG A 56 -10.741 4.955 -8.668 1.00 0.00 C ATOM 754 C ARG A 56 -9.261 4.581 -8.605 1.00 0.00 C ATOM 755 O ARG A 56 -8.514 4.803 -9.557 1.00 0.00 O ATOM 756 CB ARG A 56 -10.911 6.321 -9.337 1.00 0.00 C ATOM 757 CG ARG A 56 -12.099 6.392 -10.282 1.00 0.00 C ATOM 758 CD ARG A 56 -11.783 5.747 -11.622 1.00 0.00 C ATOM 759 NE ARG A 56 -12.259 4.367 -11.691 1.00 0.00 N ATOM 760 CZ ARG A 56 -11.875 3.496 -12.621 1.00 0.00 C ATOM 761 NH1 ARG A 56 -11.013 3.858 -13.564 1.00 0.00 N ATOM 762 NH2 ARG A 56 -12.356 2.260 -12.611 1.00 0.00 N ATOM 0 H ARG A 56 -12.048 4.257 -7.184 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.263 4.206 -9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.025 7.082 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.003 6.561 -9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.956 5.893 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.382 7.433 -10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.241 6.329 -12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.706 5.768 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.925 4.053 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.642 4.808 -13.578 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.722 3.186 -14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.020 1.977 -11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.062 1.592 -13.324 1.00 0.00 H new ATOM 776 N GLY A 57 -8.843 4.010 -7.474 1.00 0.00 N ATOM 777 CA GLY A 57 -7.456 3.615 -7.310 1.00 0.00 C ATOM 778 C GLY A 57 -7.288 2.417 -6.391 1.00 0.00 C ATOM 779 O GLY A 57 -6.184 2.143 -5.919 1.00 0.00 O ATOM 0 H GLY A 57 -9.441 3.815 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.032 3.380 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.889 4.456 -6.910 1.00 0.00 H new ATOM 783 N ARG A 58 -8.382 1.700 -6.133 1.00 0.00 N ATOM 784 CA ARG A 58 -8.346 0.528 -5.267 1.00 0.00 C ATOM 785 C ARG A 58 -7.257 -0.450 -5.703 1.00 0.00 C ATOM 786 O ARG A 58 -6.772 -1.251 -4.902 1.00 0.00 O ATOM 787 CB ARG A 58 -9.705 -0.172 -5.270 1.00 0.00 C ATOM 788 CG ARG A 58 -9.996 -0.943 -3.993 1.00 0.00 C ATOM 789 CD ARG A 58 -11.208 -1.846 -4.150 1.00 0.00 C ATOM 790 NE ARG A 58 -11.459 -2.641 -2.950 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.605 -3.271 -2.704 1.00 0.00 C ATOM 792 NH1 ARG A 58 -13.607 -3.203 -3.572 1.00 0.00 N ATOM 793 NH2 ARG A 58 -12.749 -3.973 -1.588 1.00 0.00 N ATOM 0 H ARG A 58 -9.304 1.913 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.116 0.865 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.487 0.572 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.749 -0.858 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.127 -1.543 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.166 -0.243 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.086 -1.239 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.057 -2.511 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.712 -2.718 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.501 -2.666 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.483 -3.688 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.981 -4.030 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.627 -4.456 -1.399 1.00 0.00 H new ATOM 807 N LEU A 59 -6.881 -0.385 -6.978 1.00 0.00 N ATOM 808 CA LEU A 59 -5.859 -1.262 -7.525 1.00 0.00 C ATOM 809 C LEU A 59 -4.465 -0.918 -6.996 1.00 0.00 C ATOM 810 O LEU A 59 -3.488 -1.584 -7.336 1.00 0.00 O ATOM 811 CB LEU A 59 -5.864 -1.192 -9.053 1.00 0.00 C ATOM 812 CG LEU A 59 -6.029 0.214 -9.638 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.934 0.505 -10.651 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.403 0.373 -10.274 1.00 0.00 C ATOM 0 H LEU A 59 -7.274 0.272 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.096 -2.276 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.931 -1.616 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.671 -1.822 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.943 0.934 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.069 1.508 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.961 0.438 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.985 -0.222 -11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.500 1.378 -10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.520 -0.358 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.174 0.212 -9.520 1.00 0.00 H new ATOM 826 N PHE A 60 -4.369 0.124 -6.172 1.00 0.00 N ATOM 827 CA PHE A 60 -3.085 0.537 -5.615 1.00 0.00 C ATOM 828 C PHE A 60 -3.125 0.538 -4.090 1.00 0.00 C ATOM 829 O PHE A 60 -3.451 1.548 -3.467 1.00 0.00 O ATOM 830 CB PHE A 60 -2.705 1.926 -6.134 1.00 0.00 C ATOM 831 CG PHE A 60 -1.369 1.969 -6.820 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.973 0.941 -7.662 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.510 3.038 -6.623 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.256 0.980 -8.294 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.719 3.082 -7.252 1.00 0.00 C ATOM 836 CZ PHE A 60 1.102 2.052 -8.089 1.00 0.00 C ATOM 0 H PHE A 60 -5.162 0.694 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.330 -0.181 -5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.472 2.267 -6.830 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.698 2.627 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.632 0.101 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.805 3.846 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.554 0.173 -8.947 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.380 3.921 -7.090 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.062 2.085 -8.583 1.00 0.00 H new ATOM 846 N TRP A 61 -2.787 -0.602 -3.498 1.00 0.00 N ATOM 847 CA TRP A 61 -2.778 -0.739 -2.046 1.00 0.00 C ATOM 848 C TRP A 61 -1.394 -0.436 -1.482 1.00 0.00 C ATOM 849 O TRP A 61 -0.379 -0.798 -2.075 1.00 0.00 O ATOM 850 CB TRP A 61 -3.203 -2.154 -1.645 1.00 0.00 C ATOM 851 CG TRP A 61 -4.688 -2.322 -1.533 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.648 -1.595 -2.175 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.384 -3.281 -0.729 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.894 -2.040 -1.820 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.761 -3.076 -0.933 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.976 -4.294 0.144 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.732 -3.845 -0.297 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.940 -5.056 0.776 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.304 -4.830 0.552 1.00 0.00 C ATOM 0 H TRP A 61 -2.515 -1.446 -4.002 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.487 -0.021 -1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.819 -2.862 -2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.744 -2.406 -0.689 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.454 -0.786 -2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.778 -1.661 -2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.927 -4.478 0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.784 -3.671 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.636 -5.839 1.455 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.033 -5.445 1.059 1.00 0.00 H new ATOM 870 N GLY A 62 -1.359 0.227 -0.330 1.00 0.00 N ATOM 871 CA GLY A 62 -0.092 0.563 0.294 1.00 0.00 C ATOM 872 C GLY A 62 0.413 -0.544 1.198 1.00 0.00 C ATOM 873 O GLY A 62 -0.349 -1.109 1.981 1.00 0.00 O ATOM 0 H GLY A 62 -2.185 0.537 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.649 0.765 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.206 1.479 0.873 1.00 0.00 H new ATOM 877 N GLY A 63 1.701 -0.856 1.090 1.00 0.00 N ATOM 878 CA GLY A 63 2.276 -1.904 1.912 1.00 0.00 C ATOM 879 C GLY A 63 3.791 -1.905 1.887 1.00 0.00 C ATOM 880 O GLY A 63 4.415 -0.904 1.536 1.00 0.00 O ATOM 0 H GLY A 63 2.354 -0.403 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.934 -1.782 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.911 -2.871 1.567 1.00 0.00 H new ATOM 884 N SER A 64 4.382 -3.035 2.259 1.00 0.00 N ATOM 885 CA SER A 64 5.833 -3.173 2.280 1.00 0.00 C ATOM 886 C SER A 64 6.220 -4.640 2.191 1.00 0.00 C ATOM 887 O SER A 64 5.720 -5.467 2.952 1.00 0.00 O ATOM 888 CB SER A 64 6.413 -2.551 3.553 1.00 0.00 C ATOM 889 OG SER A 64 5.403 -2.340 4.525 1.00 0.00 O ATOM 0 H SER A 64 3.876 -3.871 2.551 1.00 0.00 H new ATOM 0 HA SER A 64 6.244 -2.646 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.184 -3.204 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.893 -1.603 3.312 1.00 0.00 H new ATOM 0 HG SER A 64 5.800 -1.944 5.329 1.00 0.00 H new ATOM 895 N VAL A 65 7.109 -4.968 1.262 1.00 0.00 N ATOM 896 CA VAL A 65 7.539 -6.329 1.088 1.00 0.00 C ATOM 897 C VAL A 65 8.482 -6.735 2.197 1.00 0.00 C ATOM 898 O VAL A 65 9.218 -5.919 2.753 1.00 0.00 O ATOM 899 CB VAL A 65 8.237 -6.574 -0.270 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.399 -7.489 -1.150 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.552 -5.273 -0.999 1.00 0.00 C ATOM 0 H VAL A 65 7.541 -4.301 0.622 1.00 0.00 H new ATOM 0 HA VAL A 65 6.633 -6.935 1.115 1.00 0.00 H new ATOM 0 HB VAL A 65 9.187 -7.064 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.909 -7.647 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.259 -8.447 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.428 -7.029 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.041 -5.496 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.627 -4.728 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.213 -4.662 -0.384 1.00 0.00 H new ATOM 911 N GLN A 66 8.439 -8.007 2.501 1.00 0.00 N ATOM 912 CA GLN A 66 9.276 -8.584 3.548 1.00 0.00 C ATOM 913 C GLN A 66 10.755 -8.352 3.255 1.00 0.00 C ATOM 914 O GLN A 66 11.140 -8.096 2.114 1.00 0.00 O ATOM 915 CB GLN A 66 9.001 -10.082 3.681 1.00 0.00 C ATOM 916 CG GLN A 66 9.373 -10.880 2.443 1.00 0.00 C ATOM 917 CD GLN A 66 10.067 -12.186 2.778 1.00 0.00 C ATOM 918 OE1 GLN A 66 10.586 -12.362 3.880 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.081 -13.109 1.824 1.00 0.00 N ATOM 0 H GLN A 66 7.828 -8.679 2.037 1.00 0.00 H new ATOM 0 HA GLN A 66 9.029 -8.090 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.557 -10.471 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.943 -10.231 3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.472 -11.089 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.025 -10.278 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.638 -12.920 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.535 -14.007 1.990 1.00 0.00 H new ATOM 928 N GLY A 67 11.579 -8.442 4.294 1.00 0.00 N ATOM 929 CA GLY A 67 13.007 -8.239 4.129 1.00 0.00 C ATOM 930 C GLY A 67 13.705 -9.459 3.562 1.00 0.00 C ATOM 931 O GLY A 67 13.096 -10.254 2.845 1.00 0.00 O ATOM 0 H GLY A 67 11.284 -8.652 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.176 -7.388 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.449 -7.987 5.093 1.00 0.00 H new ATOM 1047 N ARG A 76 10.892 -0.035 2.783 1.00 0.00 N ATOM 1048 CA ARG A 76 10.292 1.136 2.153 1.00 0.00 C ATOM 1049 C ARG A 76 8.848 0.854 1.747 1.00 0.00 C ATOM 1050 O ARG A 76 8.594 0.143 0.774 1.00 0.00 O ATOM 1051 CB ARG A 76 11.106 1.552 0.926 1.00 0.00 C ATOM 1052 CG ARG A 76 10.994 3.032 0.593 1.00 0.00 C ATOM 1053 CD ARG A 76 11.412 3.314 -0.840 1.00 0.00 C ATOM 1054 NE ARG A 76 10.559 4.317 -1.472 1.00 0.00 N ATOM 1055 CZ ARG A 76 10.471 4.494 -2.788 1.00 0.00 C ATOM 1056 NH1 ARG A 76 11.181 3.736 -3.615 1.00 0.00 N ATOM 1057 NH2 ARG A 76 9.671 5.430 -3.279 1.00 0.00 N ATOM 0 HA ARG A 76 10.295 1.951 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.154 1.305 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.775 0.969 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.967 3.363 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.619 3.608 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.447 3.657 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.374 2.390 -1.417 1.00 0.00 H new ATOM 0 HE ARG A 76 9.997 4.918 -0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.798 3.014 -3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.110 3.876 -4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.123 6.015 -2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.604 5.566 -4.288 1.00 0.00 H new ATOM 1071 N LEU A 77 7.907 1.417 2.498 1.00 0.00 N ATOM 1072 CA LEU A 77 6.489 1.226 2.215 1.00 0.00 C ATOM 1073 C LEU A 77 6.141 1.734 0.820 1.00 0.00 C ATOM 1074 O LEU A 77 6.310 2.916 0.519 1.00 0.00 O ATOM 1075 CB LEU A 77 5.635 1.948 3.261 1.00 0.00 C ATOM 1076 CG LEU A 77 4.396 1.180 3.729 1.00 0.00 C ATOM 1077 CD1 LEU A 77 4.098 1.486 5.188 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.198 1.520 2.856 1.00 0.00 C ATOM 0 H LEU A 77 8.100 2.008 3.306 1.00 0.00 H new ATOM 0 HA LEU A 77 6.276 0.158 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.258 2.166 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.316 2.905 2.849 1.00 0.00 H new ATOM 0 HG LEU A 77 4.597 0.113 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.214 0.931 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.949 1.192 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.917 2.554 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.326 0.965 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.995 2.589 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.413 1.249 1.822 1.00 0.00 H new ATOM 1090 N GLY A 78 5.656 0.835 -0.029 1.00 0.00 N ATOM 1091 CA GLY A 78 5.292 1.212 -1.381 1.00 0.00 C ATOM 1092 C GLY A 78 3.796 1.165 -1.614 1.00 0.00 C ATOM 1093 O GLY A 78 3.013 1.167 -0.664 1.00 0.00 O ATOM 0 H GLY A 78 5.508 -0.149 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.657 2.219 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.787 0.545 -2.087 1.00 0.00 H new ATOM 1097 N TYR A 79 3.397 1.123 -2.880 1.00 0.00 N ATOM 1098 CA TYR A 79 1.984 1.076 -3.235 1.00 0.00 C ATOM 1099 C TYR A 79 1.771 0.260 -4.506 1.00 0.00 C ATOM 1100 O TYR A 79 2.248 0.629 -5.580 1.00 0.00 O ATOM 1101 CB TYR A 79 1.437 2.491 -3.423 1.00 0.00 C ATOM 1102 CG TYR A 79 1.756 3.421 -2.275 1.00 0.00 C ATOM 1103 CD1 TYR A 79 0.966 3.443 -1.132 1.00 0.00 C ATOM 1104 CD2 TYR A 79 2.849 4.277 -2.333 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.256 4.291 -0.080 1.00 0.00 C ATOM 1106 CE2 TYR A 79 3.145 5.127 -1.285 1.00 0.00 C ATOM 1107 CZ TYR A 79 2.347 5.131 -0.161 1.00 0.00 C ATOM 1108 OH TYR A 79 2.639 5.977 0.884 1.00 0.00 O ATOM 0 H TYR A 79 4.032 1.121 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 79 1.445 0.593 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.845 2.910 -4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.355 2.440 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.111 2.786 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.477 4.278 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.631 4.296 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.998 5.786 -1.346 1.00 0.00 H new ATOM 0 HH TYR A 79 3.439 6.500 0.668 1.00 0.00 H new ATOM 1118 N PHE A 80 1.054 -0.850 -4.376 1.00 0.00 N ATOM 1119 CA PHE A 80 0.778 -1.720 -5.512 1.00 0.00 C ATOM 1120 C PHE A 80 -0.485 -2.542 -5.269 1.00 0.00 C ATOM 1121 O PHE A 80 -0.938 -2.682 -4.133 1.00 0.00 O ATOM 1122 CB PHE A 80 1.965 -2.651 -5.770 1.00 0.00 C ATOM 1123 CG PHE A 80 2.572 -3.219 -4.518 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.834 -4.051 -3.691 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.879 -2.920 -4.168 1.00 0.00 C ATOM 1126 CE1 PHE A 80 2.388 -4.574 -2.539 1.00 0.00 C ATOM 1127 CE2 PHE A 80 4.439 -3.441 -3.017 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.693 -4.269 -2.202 1.00 0.00 C ATOM 0 H PHE A 80 0.653 -1.169 -3.494 1.00 0.00 H new ATOM 0 HA PHE A 80 0.621 -1.093 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.639 -3.471 -6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.732 -2.104 -6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.814 -4.293 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.467 -2.272 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.802 -5.220 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.459 -3.201 -2.755 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.129 -4.678 -1.302 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.073 -3.098 -6.341 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.291 -3.910 -6.245 1.00 0.00 C ATOM 1140 C PRO A 81 -2.184 -4.992 -5.177 1.00 0.00 C ATOM 1141 O PRO A 81 -1.086 -5.407 -4.805 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.407 -4.539 -7.633 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.707 -3.588 -8.541 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.596 -2.978 -7.731 1.00 0.00 C ATOM 0 HA PRO A 81 -3.157 -3.313 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.944 -5.525 -7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.450 -4.668 -7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.313 -4.104 -9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.391 -2.821 -8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.345 -3.508 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.423 -1.938 -8.007 1.00 0.00 H new ATOM 1152 N SER A 82 -3.333 -5.444 -4.689 1.00 0.00 N ATOM 1153 CA SER A 82 -3.374 -6.480 -3.663 1.00 0.00 C ATOM 1154 C SER A 82 -3.596 -7.854 -4.285 1.00 0.00 C ATOM 1155 O SER A 82 -3.022 -8.847 -3.841 1.00 0.00 O ATOM 1156 CB SER A 82 -4.482 -6.181 -2.651 1.00 0.00 C ATOM 1157 OG SER A 82 -4.224 -6.813 -1.409 1.00 0.00 O ATOM 0 H SER A 82 -4.249 -5.110 -4.987 1.00 0.00 H new ATOM 0 HA SER A 82 -2.413 -6.485 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.564 -5.104 -2.504 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.440 -6.523 -3.044 1.00 0.00 H new ATOM 0 HG SER A 82 -4.501 -6.223 -0.678 1.00 0.00 H new ATOM 1163 N SER A 83 -4.436 -7.904 -5.317 1.00 0.00 N ATOM 1164 CA SER A 83 -4.739 -9.155 -6.003 1.00 0.00 C ATOM 1165 C SER A 83 -3.465 -9.918 -6.356 1.00 0.00 C ATOM 1166 O SER A 83 -3.461 -11.148 -6.410 1.00 0.00 O ATOM 1167 CB SER A 83 -5.548 -8.879 -7.271 1.00 0.00 C ATOM 1168 OG SER A 83 -5.179 -7.641 -7.852 1.00 0.00 O ATOM 0 H SER A 83 -4.919 -7.090 -5.696 1.00 0.00 H new ATOM 0 HA SER A 83 -5.328 -9.773 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.389 -9.683 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.612 -8.870 -7.033 1.00 0.00 H new ATOM 0 HG SER A 83 -5.709 -7.489 -8.662 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.385 -9.180 -6.593 1.00 0.00 N ATOM 1175 CA ILE A 84 -1.107 -9.788 -6.940 1.00 0.00 C ATOM 1176 C ILE A 84 -0.552 -10.603 -5.774 1.00 0.00 C ATOM 1177 O ILE A 84 0.145 -11.596 -5.974 1.00 0.00 O ATOM 1178 CB ILE A 84 -0.073 -8.722 -7.355 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.229 -9.386 -7.810 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.190 -7.758 -6.207 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.116 -10.078 -9.151 1.00 0.00 C ATOM 0 H ILE A 84 -2.370 -8.161 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.288 -10.452 -7.786 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.480 -8.155 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.013 -8.631 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.538 -10.113 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.922 -7.013 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.739 -7.260 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.576 -8.310 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.075 -10.526 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.355 -10.856 -9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.837 -9.351 -9.913 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.870 -10.175 -4.556 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.407 -10.863 -3.357 1.00 0.00 C ATOM 1195 C VAL A 85 -1.576 -11.490 -2.599 1.00 0.00 C ATOM 1196 O VAL A 85 -2.671 -10.931 -2.558 1.00 0.00 O ATOM 1197 CB VAL A 85 0.344 -9.901 -2.414 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.567 -9.315 -3.106 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.583 -8.796 -1.925 1.00 0.00 C ATOM 0 H VAL A 85 -1.447 -9.354 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 85 0.275 -11.648 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 85 0.684 -10.467 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.082 -8.639 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.241 -10.120 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.254 -8.765 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.034 -8.128 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.958 -8.232 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.421 -9.237 -1.385 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.334 -12.649 -1.997 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.367 -13.345 -1.236 1.00 0.00 C ATOM 1211 C ARG A 86 -2.217 -13.067 0.256 1.00 0.00 C ATOM 1212 O ARG A 86 -1.162 -13.311 0.841 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.297 -14.850 -1.498 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.539 -15.604 -1.049 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.668 -16.941 -1.761 1.00 0.00 C ATOM 1216 NE ARG A 86 -2.732 -17.932 -1.236 1.00 0.00 N ATOM 1217 CZ ARG A 86 -2.865 -19.245 -1.412 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -3.892 -19.727 -2.100 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -1.968 -20.076 -0.901 1.00 0.00 N ATOM 0 H ARG A 86 -0.433 -13.127 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.339 -12.974 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.146 -15.018 -2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.428 -15.260 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.497 -15.767 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.424 -14.999 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.687 -17.312 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.490 -16.803 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.929 -17.598 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.584 -19.091 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.990 -20.734 -2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.176 -19.710 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.070 -21.082 -1.036 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.280 -12.550 0.867 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.263 -12.235 2.291 1.00 0.00 C ATOM 1235 C GLU A 87 -3.627 -13.457 3.126 1.00 0.00 C ATOM 1236 O GLU A 87 -4.702 -14.034 2.965 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.232 -11.089 2.593 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.625 -11.304 2.025 1.00 0.00 C ATOM 1239 CD GLU A 87 -6.705 -10.652 2.868 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.861 -11.048 4.042 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -7.395 -9.746 2.354 1.00 0.00 O ATOM 0 H GLU A 87 -4.162 -12.341 0.399 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.252 -11.927 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.305 -10.961 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.823 -10.163 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.667 -10.902 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.822 -12.373 1.952 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.723 -13.841 4.022 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.948 -14.991 4.888 1.00 0.00 C ATOM 1250 C ASP A 88 -3.207 -14.547 6.318 1.00 0.00 C ATOM 1251 O ASP A 88 -4.162 -14.987 6.958 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.745 -15.937 4.839 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.156 -17.387 4.681 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.626 -17.754 3.584 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.008 -18.155 5.654 1.00 0.00 O ATOM 0 H ASP A 88 -1.829 -13.372 4.167 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.829 -15.522 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.097 -15.654 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.161 -15.825 5.753 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.345 -13.674 6.807 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.453 -13.156 8.154 1.00 0.00 C ATOM 1262 C GLN A 89 -3.033 -11.748 8.138 1.00 0.00 C ATOM 1263 O GLN A 89 -2.830 -10.998 7.184 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.070 -13.144 8.780 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.077 -13.015 10.295 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.428 -11.731 10.777 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -0.910 -10.634 10.495 1.00 0.00 O ATOM 1268 NE2 GLN A 89 0.672 -11.864 11.509 1.00 0.00 N ATOM 0 H GLN A 89 -1.553 -13.306 6.281 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.120 -13.790 8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.551 -14.063 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.499 -12.317 8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.105 -13.054 10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.555 -13.867 10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.036 -12.794 11.718 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.153 -11.037 11.862 1.00 0.00 H new ATOM 1277 N THR A 90 -3.757 -11.390 9.191 1.00 0.00 N ATOM 1278 CA THR A 90 -4.356 -10.066 9.273 1.00 0.00 C ATOM 1279 C THR A 90 -4.217 -9.473 10.667 1.00 0.00 C ATOM 1280 O THR A 90 -4.191 -10.191 11.667 1.00 0.00 O ATOM 1281 CB THR A 90 -5.827 -10.109 8.875 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.484 -11.209 9.479 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.040 -10.205 7.381 1.00 0.00 C ATOM 0 H THR A 90 -3.942 -11.992 9.993 1.00 0.00 H new ATOM 0 HA THR A 90 -3.817 -9.426 8.574 1.00 0.00 H new ATOM 0 HB THR A 90 -6.246 -9.165 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.426 -11.215 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.108 -10.232 7.167 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.594 -9.338 6.893 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.572 -11.114 7.004 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.130 -8.151 10.715 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.995 -7.430 11.973 1.00 0.00 C ATOM 1293 C LEU A 91 -4.527 -6.006 11.834 1.00 0.00 C ATOM 1294 O LEU A 91 -4.089 -5.099 12.540 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.528 -7.403 12.407 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.296 -7.534 13.913 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.821 -7.750 14.211 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.812 -6.300 14.639 1.00 0.00 C ATOM 0 H LEU A 91 -4.151 -7.552 9.890 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.581 -7.946 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.001 -8.212 11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.081 -6.469 12.066 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.848 -8.403 14.272 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.677 -7.841 15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.481 -8.662 13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.247 -6.902 13.838 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.639 -6.409 15.710 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.286 -5.417 14.275 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.880 -6.189 14.453 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.468 -5.819 10.912 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.057 -4.506 10.668 1.00 0.00 C ATOM 1312 C LYS A 92 -6.804 -3.995 11.900 1.00 0.00 C ATOM 1313 O LYS A 92 -7.885 -4.485 12.225 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.014 -4.572 9.476 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.667 -3.238 9.142 1.00 0.00 C ATOM 1316 CD LYS A 92 -9.129 -3.410 8.757 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.357 -3.107 7.284 1.00 0.00 C ATOM 1318 NZ LYS A 92 -10.777 -3.315 6.888 1.00 0.00 N ATOM 0 H LYS A 92 -5.839 -6.562 10.320 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.246 -3.812 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.468 -4.928 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.793 -5.305 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.593 -2.571 10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.128 -2.764 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.446 -4.430 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.747 -2.749 9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.069 -2.076 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.714 -3.745 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.891 -3.098 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.044 -4.305 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.389 -2.688 7.448 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.243 -2.992 12.604 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.867 -2.414 13.792 1.00 0.00 C ATOM 1334 C PRO A 93 -7.966 -1.423 13.424 1.00 0.00 C ATOM 1335 O PRO A 93 -9.101 -1.535 13.889 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.712 -1.692 14.507 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.492 -1.906 13.662 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.970 -2.332 12.303 1.00 0.00 C ATOM 0 HA PRO A 93 -7.346 -3.173 14.410 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.927 -0.629 14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.565 -2.093 15.510 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.904 -0.991 13.595 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.847 -2.668 14.101 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.103 -1.481 11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.266 -3.010 11.820 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.618 -0.456 12.581 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.579 0.544 12.152 1.00 0.00 C ATOM 1348 C GLY A 94 -8.804 0.516 10.652 1.00 0.00 C ATOM 1349 O GLY A 94 -8.051 -0.125 9.918 1.00 0.00 O ATOM 0 H GLY A 94 -6.684 -0.347 12.186 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.527 0.377 12.663 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.228 1.533 12.447 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.832 1.222 10.195 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.144 1.287 8.786 1.00 0.00 C ATOM 1355 C LYS A 95 -10.834 2.604 8.460 1.00 0.00 C ATOM 1356 O LYS A 95 -11.902 2.625 7.848 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.022 0.106 8.368 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.245 -0.088 9.252 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.479 -0.419 8.430 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.719 -0.528 9.303 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.071 -1.944 9.595 1.00 0.00 N ATOM 0 H LYS A 95 -10.463 1.758 10.791 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.211 1.232 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.348 0.253 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.423 -0.805 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.056 -0.890 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.424 0.818 9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.632 0.352 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.323 -1.358 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.552 0.005 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.557 -0.041 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.922 -1.974 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.256 -2.447 8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.282 -2.402 10.093 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.215 3.702 8.870 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.769 5.023 8.621 1.00 0.00 C ATOM 1377 C VAL A 96 -10.163 5.607 7.362 1.00 0.00 C ATOM 1378 O VAL A 96 -8.943 5.636 7.206 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.522 5.995 9.792 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.625 7.040 9.859 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.414 5.243 11.112 1.00 0.00 C ATOM 0 H VAL A 96 -9.329 3.703 9.376 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.846 4.900 8.507 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.574 6.504 9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.434 7.717 10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.647 7.606 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.586 6.546 10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.240 5.952 11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.341 4.700 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.584 4.538 11.062 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.018 6.053 6.461 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.559 6.614 5.204 1.00 0.00 C ATOM 1393 C ASP A 97 -9.836 7.934 5.415 1.00 0.00 C ATOM 1394 O ASP A 97 -10.408 8.898 5.924 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.730 6.799 4.237 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.276 7.217 2.852 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.537 6.440 2.211 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.659 8.320 2.409 1.00 0.00 O ATOM 0 H ASP A 97 -12.031 6.038 6.575 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.851 5.909 4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.290 5.867 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.411 7.551 4.635 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.573 7.964 5.012 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.755 9.166 5.148 1.00 0.00 C ATOM 1405 C VAL A 98 -7.583 9.865 3.808 1.00 0.00 C ATOM 1406 O VAL A 98 -6.861 9.387 2.932 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.363 8.851 5.728 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.787 10.075 6.424 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.434 7.673 6.682 1.00 0.00 C ATOM 0 H VAL A 98 -8.091 7.171 4.588 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.283 9.823 5.839 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.700 8.581 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.804 9.835 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.696 10.892 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.449 10.377 7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.441 7.467 7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.112 7.909 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.801 6.795 6.150 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.249 11.002 3.655 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.173 11.775 2.420 1.00 0.00 C ATOM 1421 C LYS A 99 -6.781 12.370 2.235 1.00 0.00 C ATOM 1422 O LYS A 99 -6.197 12.915 3.173 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.221 12.891 2.426 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.114 13.820 3.624 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.485 14.227 4.138 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.425 15.534 4.913 1.00 0.00 C ATOM 1427 NZ LYS A 99 -9.863 16.642 4.093 1.00 0.00 N ATOM 0 H LYS A 99 -8.849 11.411 4.371 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.374 11.102 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.121 13.477 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.215 12.444 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.558 13.326 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.550 14.710 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.173 14.332 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.882 13.440 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.427 15.803 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.815 15.398 5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.263 17.547 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.829 16.663 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.104 16.490 3.093 1.00 0.00 H new ATOM 1441 N THR A 100 -6.253 12.258 1.021 1.00 0.00 N ATOM 1442 CA THR A 100 -4.928 12.781 0.711 1.00 0.00 C ATOM 1443 C THR A 100 -5.025 13.992 -0.213 1.00 0.00 C ATOM 1444 O THR A 100 -6.050 14.216 -0.856 1.00 0.00 O ATOM 1445 CB THR A 100 -4.073 11.691 0.061 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.905 10.595 0.943 1.00 0.00 O ATOM 1447 CG2 THR A 100 -2.696 12.167 -0.346 1.00 0.00 C ATOM 0 H THR A 100 -6.723 11.809 0.235 1.00 0.00 H new ATOM 0 HA THR A 100 -4.457 13.097 1.642 1.00 0.00 H new ATOM 0 HB THR A 100 -4.616 11.398 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.951 10.464 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.145 11.343 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.790 12.980 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.159 12.521 0.534 1.00 0.00 H new