USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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 31 SER OG : rot -55:sc= -0.86! USER MOD Set 1.2: A 32 THR OG1 : rot -80:sc= -0.481! USER MOD Set 2.1: A 24 CYS SG : rot 18:sc= 0.0975 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -160:sc= -2.59 (180deg=-3.83!) USER MOD Single : A 25 GLN : amide:sc= -0.592 K(o=-0.59,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.08) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.345 USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.0344 USER MOD Single : A 45 THR OG1 : rot -22:sc= -1.14 USER MOD Single : A 48 HIS : no HE2:sc= -3.14! C(o=-3.1!,f=-11!) USER MOD Single : A 49 MET CE :methyl -126:sc= -7.08! (180deg=-14!) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= -3.08! (180deg=-3.13!) USER MOD Single : A 54 HIS : no HD1:sc= -0.551 K(o=-0.55,f=0) USER MOD Single : A 63 SER OG : rot -23:sc= 0.171 USER MOD Single : A 64 GLN : amide:sc= -8.35! C(o=-8.3!,f=-20!) USER MOD Single : A 69 SER OG : rot -30:sc= 1.14 USER MOD Single : A 74 THR OG1 : rot -81:sc= 1.03 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -131:sc= -2.18 (180deg=-4.74!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.86 X(o=-1.9,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -12.232 -3.868 1.756 1.00 0.00 N ATOM 45 CA CYS A 24 -10.982 -4.334 1.168 1.00 0.00 C ATOM 46 C CYS A 24 -9.833 -4.229 2.173 1.00 0.00 C ATOM 47 O CYS A 24 -9.828 -3.352 3.035 1.00 0.00 O ATOM 48 CB CYS A 24 -10.666 -3.525 -0.095 1.00 0.00 C ATOM 49 SG CYS A 24 -12.089 -3.278 -1.185 1.00 0.00 S ATOM 0 HA CYS A 24 -11.096 -5.384 0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.272 -2.552 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.878 -4.033 -0.652 1.00 0.00 H new ATOM 0 HG CYS A 24 -13.186 -3.501 -0.524 1.00 0.00 H new ATOM 55 N GLN A 25 -8.870 -5.139 2.061 1.00 0.00 N ATOM 56 CA GLN A 25 -7.711 -5.163 2.949 1.00 0.00 C ATOM 57 C GLN A 25 -6.498 -5.710 2.206 1.00 0.00 C ATOM 58 O GLN A 25 -6.490 -6.866 1.783 1.00 0.00 O ATOM 59 CB GLN A 25 -8.002 -6.019 4.184 1.00 0.00 C ATOM 60 CG GLN A 25 -9.180 -5.519 5.008 1.00 0.00 C ATOM 61 CD GLN A 25 -9.550 -6.456 6.146 1.00 0.00 C ATOM 62 OE1 GLN A 25 -10.720 -6.569 6.511 1.00 0.00 O ATOM 63 NE2 GLN A 25 -8.556 -7.125 6.723 1.00 0.00 N ATOM 0 H GLN A 25 -8.870 -5.877 1.357 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.499 -4.145 3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.199 -7.043 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.113 -6.046 4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.940 -4.537 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.044 -5.390 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.599 -7.004 6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.750 -7.760 7.498 1.00 0.00 H new ATOM 72 N LEU A 26 -5.469 -4.883 2.060 1.00 0.00 N ATOM 73 CA LEU A 26 -4.262 -5.287 1.337 1.00 0.00 C ATOM 74 C LEU A 26 -3.062 -5.407 2.269 1.00 0.00 C ATOM 75 O LEU A 26 -2.892 -4.599 3.184 1.00 0.00 O ATOM 76 CB LEU A 26 -3.964 -4.274 0.231 1.00 0.00 C ATOM 77 CG LEU A 26 -3.320 -4.846 -1.035 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.273 -3.789 -2.125 1.00 0.00 C ATOM 79 CD2 LEU A 26 -1.923 -5.370 -0.745 1.00 0.00 C ATOM 0 H LEU A 26 -5.443 -3.933 2.429 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.442 -6.269 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.896 -3.783 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.307 -3.504 0.635 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.930 -5.681 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.813 -4.209 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.286 -3.461 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.686 -2.937 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.487 -5.771 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.300 -4.557 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.979 -6.158 0.006 1.00 0.00 H new ATOM 91 N ARG A 27 -2.227 -6.419 2.028 1.00 0.00 N ATOM 92 CA ARG A 27 -1.041 -6.635 2.842 1.00 0.00 C ATOM 93 C ARG A 27 0.112 -5.769 2.342 1.00 0.00 C ATOM 94 O ARG A 27 0.314 -5.625 1.137 1.00 0.00 O ATOM 95 CB ARG A 27 -0.647 -8.113 2.817 1.00 0.00 C ATOM 96 CG ARG A 27 -1.706 -9.032 3.402 1.00 0.00 C ATOM 97 CD ARG A 27 -1.336 -10.496 3.227 1.00 0.00 C ATOM 98 NE ARG A 27 -0.099 -10.837 3.925 1.00 0.00 N ATOM 99 CZ ARG A 27 0.337 -12.084 4.093 1.00 0.00 C ATOM 100 NH1 ARG A 27 -0.359 -13.108 3.613 1.00 0.00 N ATOM 101 NH2 ARG A 27 1.472 -12.309 4.741 1.00 0.00 N ATOM 0 H ARG A 27 -2.354 -7.097 1.277 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.266 -6.350 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.448 -8.410 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.282 -8.243 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.833 -8.813 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.664 -8.838 2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.147 -11.122 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.226 -10.717 2.165 1.00 0.00 H new ATOM 0 HE ARG A 27 0.463 -10.076 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.232 -12.941 3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.020 -14.061 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.012 -11.527 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.805 -13.264 4.869 1.00 0.00 H new ATOM 115 N LEU A 28 0.865 -5.188 3.270 1.00 0.00 N ATOM 116 CA LEU A 28 1.988 -4.327 2.908 1.00 0.00 C ATOM 117 C LEU A 28 3.323 -4.893 3.382 1.00 0.00 C ATOM 118 O LEU A 28 3.577 -4.957 4.581 1.00 0.00 O ATOM 119 CB LEU A 28 1.812 -2.956 3.546 1.00 0.00 C ATOM 120 CG LEU A 28 0.660 -2.106 3.000 1.00 0.00 C ATOM 121 CD1 LEU A 28 0.712 -2.050 1.482 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.687 -2.635 3.474 1.00 0.00 C ATOM 0 H LEU A 28 0.720 -5.296 4.274 1.00 0.00 H new ATOM 0 HA LEU A 28 1.998 -4.260 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.662 -3.092 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.740 -2.398 3.423 1.00 0.00 H new ATOM 0 HG LEU A 28 0.775 -1.094 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.114 -1.442 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.657 -1.609 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.630 -3.059 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.485 -2.012 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.817 -3.660 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.724 -2.612 4.563 1.00 0.00 H new ATOM 134 N ARG A 29 4.178 -5.287 2.447 1.00 0.00 N ATOM 135 CA ARG A 29 5.500 -5.800 2.794 1.00 0.00 C ATOM 136 C ARG A 29 6.503 -4.649 2.750 1.00 0.00 C ATOM 137 O ARG A 29 6.990 -4.285 1.682 1.00 0.00 O ATOM 138 CB ARG A 29 5.914 -6.912 1.828 1.00 0.00 C ATOM 139 CG ARG A 29 7.282 -7.501 2.127 1.00 0.00 C ATOM 140 CD ARG A 29 7.668 -8.562 1.107 1.00 0.00 C ATOM 141 NE ARG A 29 6.729 -9.682 1.099 1.00 0.00 N ATOM 142 CZ ARG A 29 6.880 -10.770 0.347 1.00 0.00 C ATOM 143 NH1 ARG A 29 7.928 -10.887 -0.460 1.00 0.00 N ATOM 144 NH2 ARG A 29 5.981 -11.742 0.401 1.00 0.00 N ATOM 0 H ARG A 29 3.982 -5.262 1.446 1.00 0.00 H new ATOM 0 HA ARG A 29 5.476 -6.223 3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.170 -7.708 1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.912 -6.518 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.029 -6.707 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.281 -7.938 3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.706 -8.114 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.670 -8.930 1.329 1.00 0.00 H new ATOM 0 HE ARG A 29 5.910 -9.627 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.622 -10.141 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.039 -11.723 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.174 -11.656 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.096 -12.576 -0.175 1.00 0.00 H new ATOM 158 N LEU A 30 6.818 -4.081 3.913 1.00 0.00 N ATOM 159 CA LEU A 30 7.718 -2.928 3.972 1.00 0.00 C ATOM 160 C LEU A 30 9.139 -3.274 4.367 1.00 0.00 C ATOM 161 O LEU A 30 9.408 -4.357 4.881 1.00 0.00 O ATOM 162 CB LEU A 30 7.205 -1.879 4.954 1.00 0.00 C ATOM 163 CG LEU A 30 5.787 -2.081 5.498 1.00 0.00 C ATOM 164 CD1 LEU A 30 5.626 -1.348 6.815 1.00 0.00 C ATOM 165 CD2 LEU A 30 4.744 -1.606 4.503 1.00 0.00 C ATOM 0 H LEU A 30 6.469 -4.395 4.818 1.00 0.00 H new ATOM 0 HA LEU A 30 7.733 -2.541 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.892 -1.840 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.246 -0.906 4.465 1.00 0.00 H new ATOM 0 HG LEU A 30 5.635 -3.148 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.615 -1.498 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.345 -1.735 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.802 -0.283 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.748 -1.762 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.891 -0.545 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.843 -2.169 3.575 1.00 0.00 H new ATOM 177 N SER A 31 10.030 -2.293 4.144 1.00 0.00 N ATOM 178 CA SER A 31 11.456 -2.413 4.451 1.00 0.00 C ATOM 179 C SER A 31 12.066 -3.600 3.729 1.00 0.00 C ATOM 180 O SER A 31 13.038 -3.468 2.987 1.00 0.00 O ATOM 181 CB SER A 31 11.672 -2.548 5.962 1.00 0.00 C ATOM 182 OG SER A 31 11.148 -3.770 6.450 1.00 0.00 O ATOM 0 H SER A 31 9.774 -1.391 3.743 1.00 0.00 H new ATOM 0 HA SER A 31 11.952 -1.506 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.737 -2.492 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.194 -1.714 6.476 1.00 0.00 H new ATOM 0 HG SER A 31 10.205 -3.847 6.195 1.00 0.00 H new ATOM 188 N THR A 32 11.473 -4.752 3.964 1.00 0.00 N ATOM 189 CA THR A 32 11.907 -6.002 3.360 1.00 0.00 C ATOM 190 C THR A 32 11.176 -7.179 3.996 1.00 0.00 C ATOM 191 O THR A 32 11.704 -8.289 4.053 1.00 0.00 O ATOM 192 CB THR A 32 13.431 -6.217 3.501 1.00 0.00 C ATOM 193 OG1 THR A 32 13.967 -5.335 4.495 1.00 0.00 O ATOM 194 CG2 THR A 32 14.139 -5.989 2.173 1.00 0.00 C ATOM 0 H THR A 32 10.669 -4.852 4.584 1.00 0.00 H new ATOM 0 HA THR A 32 11.668 -5.942 2.298 1.00 0.00 H new ATOM 0 HB THR A 32 13.599 -7.249 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.096 -4.444 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.210 -6.147 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.755 -6.689 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.960 -4.968 1.836 1.00 0.00 H new ATOM 202 N GLY A 33 9.953 -6.936 4.473 1.00 0.00 N ATOM 203 CA GLY A 33 9.198 -8.002 5.098 1.00 0.00 C ATOM 204 C GLY A 33 8.313 -7.529 6.234 1.00 0.00 C ATOM 205 O GLY A 33 7.928 -8.324 7.091 1.00 0.00 O ATOM 0 H GLY A 33 9.482 -6.032 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.579 -8.489 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.891 -8.754 5.476 1.00 0.00 H new ATOM 209 N LYS A 34 7.983 -6.239 6.255 1.00 0.00 N ATOM 210 CA LYS A 34 7.126 -5.706 7.300 1.00 0.00 C ATOM 211 C LYS A 34 5.675 -5.816 6.848 1.00 0.00 C ATOM 212 O LYS A 34 5.064 -4.839 6.430 1.00 0.00 O ATOM 213 CB LYS A 34 7.495 -4.251 7.605 1.00 0.00 C ATOM 214 CG LYS A 34 7.424 -3.883 9.083 1.00 0.00 C ATOM 215 CD LYS A 34 6.208 -4.469 9.766 1.00 0.00 C ATOM 216 CE LYS A 34 4.932 -3.876 9.222 1.00 0.00 C ATOM 217 NZ LYS A 34 4.607 -2.571 9.860 1.00 0.00 N ATOM 0 H LYS A 34 8.294 -5.554 5.566 1.00 0.00 H new ATOM 0 HA LYS A 34 7.262 -6.279 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.506 -4.061 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.828 -3.594 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.325 -4.235 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.406 -2.798 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.197 -5.550 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.268 -4.286 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.026 -3.739 8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.110 -4.573 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.751 -2.174 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.441 -2.713 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.401 -1.912 9.727 1.00 0.00 H new ATOM 231 N ASP A 35 5.139 -7.025 6.928 1.00 0.00 N ATOM 232 CA ASP A 35 3.786 -7.300 6.499 1.00 0.00 C ATOM 233 C ASP A 35 2.763 -6.818 7.504 1.00 0.00 C ATOM 234 O ASP A 35 2.679 -7.297 8.635 1.00 0.00 O ATOM 235 CB ASP A 35 3.609 -8.795 6.245 1.00 0.00 C ATOM 236 CG ASP A 35 2.240 -9.130 5.687 1.00 0.00 C ATOM 237 OD1 ASP A 35 1.318 -9.387 6.490 1.00 0.00 O ATOM 238 OD2 ASP A 35 2.088 -9.137 4.448 1.00 0.00 O ATOM 0 H ASP A 35 5.634 -7.839 7.293 1.00 0.00 H new ATOM 0 HA ASP A 35 3.618 -6.751 5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.375 -9.135 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.761 -9.339 7.177 1.00 0.00 H new ATOM 243 N LEU A 36 1.997 -5.860 7.048 1.00 0.00 N ATOM 244 CA LEU A 36 0.925 -5.261 7.814 1.00 0.00 C ATOM 245 C LEU A 36 -0.176 -4.900 6.842 1.00 0.00 C ATOM 246 O LEU A 36 0.009 -4.050 5.972 1.00 0.00 O ATOM 247 CB LEU A 36 1.409 -4.023 8.574 1.00 0.00 C ATOM 248 CG LEU A 36 0.358 -3.359 9.467 1.00 0.00 C ATOM 249 CD1 LEU A 36 1.021 -2.676 10.653 1.00 0.00 C ATOM 250 CD2 LEU A 36 -0.466 -2.358 8.670 1.00 0.00 C ATOM 0 H LEU A 36 2.100 -5.464 6.114 1.00 0.00 H new ATOM 0 HA LEU A 36 0.560 -5.964 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.262 -4.305 9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.766 -3.289 7.852 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.311 -4.133 9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.259 -2.209 11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.568 -3.415 11.239 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.713 -1.914 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.208 -1.896 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.190 -1.588 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.971 -2.872 7.852 1.00 0.00 H new ATOM 262 N LYS A 37 -1.306 -5.571 6.960 1.00 0.00 N ATOM 263 CA LYS A 37 -2.407 -5.328 6.050 1.00 0.00 C ATOM 264 C LYS A 37 -3.282 -4.172 6.518 1.00 0.00 C ATOM 265 O LYS A 37 -3.887 -4.222 7.588 1.00 0.00 O ATOM 266 CB LYS A 37 -3.227 -6.607 5.866 1.00 0.00 C ATOM 267 CG LYS A 37 -4.258 -6.856 6.958 1.00 0.00 C ATOM 268 CD LYS A 37 -5.021 -8.149 6.718 1.00 0.00 C ATOM 269 CE LYS A 37 -4.092 -9.352 6.695 1.00 0.00 C ATOM 270 NZ LYS A 37 -4.836 -10.625 6.489 1.00 0.00 N ATOM 0 H LYS A 37 -1.484 -6.282 7.670 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.992 -5.038 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.738 -6.561 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.547 -7.458 5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.760 -6.900 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.958 -6.021 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.769 -8.281 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.558 -8.085 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.357 -9.228 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.540 -9.402 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.166 -11.421 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.519 -10.757 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.343 -10.588 5.581 1.00 0.00 H new ATOM 284 N LEU A 38 -3.332 -3.129 5.699 1.00 0.00 N ATOM 285 CA LEU A 38 -4.135 -1.955 6.001 1.00 0.00 C ATOM 286 C LEU A 38 -5.501 -2.074 5.326 1.00 0.00 C ATOM 287 O LEU A 38 -5.599 -2.480 4.162 1.00 0.00 O ATOM 288 CB LEU A 38 -3.412 -0.678 5.542 1.00 0.00 C ATOM 289 CG LEU A 38 -4.308 0.542 5.319 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.906 1.017 6.635 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.520 1.659 4.658 1.00 0.00 C ATOM 0 H LEU A 38 -2.823 -3.074 4.817 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.281 -1.893 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.657 -0.422 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.884 -0.894 4.613 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.126 0.254 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.540 1.885 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.503 0.217 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.104 1.289 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.169 2.521 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.685 1.943 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.140 1.316 3.696 1.00 0.00 H new ATOM 303 N VAL A 39 -6.549 -1.738 6.069 1.00 0.00 N ATOM 304 CA VAL A 39 -7.908 -1.806 5.549 1.00 0.00 C ATOM 305 C VAL A 39 -8.182 -0.667 4.572 1.00 0.00 C ATOM 306 O VAL A 39 -8.014 0.506 4.904 1.00 0.00 O ATOM 307 CB VAL A 39 -8.951 -1.763 6.686 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.867 -0.450 7.452 1.00 0.00 C ATOM 309 CG2 VAL A 39 -10.352 -1.978 6.133 1.00 0.00 C ATOM 0 H VAL A 39 -6.483 -1.415 7.034 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.998 -2.757 5.024 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.729 -2.572 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.612 -0.445 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.872 -0.345 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.056 0.381 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.074 -1.945 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.583 -1.194 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.404 -2.950 5.642 1.00 0.00 H new ATOM 319 N VAL A 40 -8.600 -1.028 3.366 1.00 0.00 N ATOM 320 CA VAL A 40 -8.906 -0.050 2.333 1.00 0.00 C ATOM 321 C VAL A 40 -10.274 -0.325 1.724 1.00 0.00 C ATOM 322 O VAL A 40 -10.856 -1.388 1.935 1.00 0.00 O ATOM 323 CB VAL A 40 -7.845 -0.053 1.217 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.553 0.576 1.708 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.596 -1.466 0.716 1.00 0.00 C ATOM 0 H VAL A 40 -8.735 -1.997 3.079 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.907 0.931 2.809 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.222 0.542 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.815 0.565 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.742 1.605 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.173 0.010 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.843 -1.445 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.243 -2.087 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.523 -1.881 0.321 1.00 0.00 H new ATOM 335 N ARG A 41 -10.781 0.638 0.969 1.00 0.00 N ATOM 336 CA ARG A 41 -12.079 0.498 0.331 1.00 0.00 C ATOM 337 C ARG A 41 -12.154 1.337 -0.940 1.00 0.00 C ATOM 338 O ARG A 41 -12.417 2.533 -0.877 1.00 0.00 O ATOM 339 CB ARG A 41 -13.180 0.907 1.311 1.00 0.00 C ATOM 340 CG ARG A 41 -14.592 0.776 0.757 1.00 0.00 C ATOM 341 CD ARG A 41 -14.973 1.970 -0.106 1.00 0.00 C ATOM 342 NE ARG A 41 -16.421 2.086 -0.268 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.029 3.172 -0.739 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.320 4.238 -1.092 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.350 3.195 -0.857 1.00 0.00 N ATOM 0 H ARG A 41 -10.312 1.525 0.784 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.221 -0.546 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.096 0.295 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.015 1.941 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.668 -0.138 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.299 0.683 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.584 2.883 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.505 1.874 -1.086 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.999 1.288 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.304 4.227 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.791 5.068 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.900 2.380 -0.587 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.815 4.028 -1.218 1.00 0.00 H new ATOM 359 N SER A 42 -11.896 0.686 -2.078 1.00 0.00 N ATOM 360 CA SER A 42 -11.926 1.297 -3.420 1.00 0.00 C ATOM 361 C SER A 42 -11.547 2.786 -3.458 1.00 0.00 C ATOM 362 O SER A 42 -10.729 3.193 -4.283 1.00 0.00 O ATOM 363 CB SER A 42 -13.312 1.114 -4.038 1.00 0.00 C ATOM 364 OG SER A 42 -13.670 -0.257 -4.088 1.00 0.00 O ATOM 0 H SER A 42 -11.654 -0.305 -2.097 1.00 0.00 H new ATOM 0 HA SER A 42 -11.160 0.777 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.050 1.665 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.324 1.533 -5.044 1.00 0.00 H new ATOM 0 HG SER A 42 -14.561 -0.348 -4.486 1.00 0.00 H new ATOM 370 N THR A 43 -12.127 3.594 -2.581 1.00 0.00 N ATOM 371 CA THR A 43 -11.808 5.012 -2.530 1.00 0.00 C ATOM 372 C THR A 43 -10.466 5.238 -1.839 1.00 0.00 C ATOM 373 O THR A 43 -9.947 6.354 -1.819 1.00 0.00 O ATOM 374 CB THR A 43 -12.903 5.807 -1.791 1.00 0.00 C ATOM 375 OG1 THR A 43 -14.179 5.563 -2.396 1.00 0.00 O ATOM 376 CG2 THR A 43 -12.606 7.300 -1.817 1.00 0.00 C ATOM 0 H THR A 43 -12.820 3.291 -1.896 1.00 0.00 H new ATOM 0 HA THR A 43 -11.750 5.369 -3.558 1.00 0.00 H new ATOM 0 HB THR A 43 -12.920 5.474 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.840 6.186 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.394 7.837 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.649 7.489 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.562 7.644 -2.850 1.00 0.00 H new ATOM 384 N ASP A 44 -9.904 4.169 -1.277 1.00 0.00 N ATOM 385 CA ASP A 44 -8.626 4.250 -0.589 1.00 0.00 C ATOM 386 C ASP A 44 -7.474 4.033 -1.566 1.00 0.00 C ATOM 387 O ASP A 44 -6.812 4.985 -1.974 1.00 0.00 O ATOM 388 CB ASP A 44 -8.563 3.217 0.535 1.00 0.00 C ATOM 389 CG ASP A 44 -9.422 3.603 1.723 1.00 0.00 C ATOM 390 OD1 ASP A 44 -8.906 4.289 2.630 1.00 0.00 O ATOM 391 OD2 ASP A 44 -10.610 3.220 1.747 1.00 0.00 O ATOM 0 H ASP A 44 -10.318 3.237 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.531 5.247 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.888 2.249 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.529 3.100 0.860 1.00 0.00 H new ATOM 396 N THR A 45 -7.242 2.776 -1.934 1.00 0.00 N ATOM 397 CA THR A 45 -6.174 2.435 -2.869 1.00 0.00 C ATOM 398 C THR A 45 -4.816 2.877 -2.345 1.00 0.00 C ATOM 399 O THR A 45 -4.733 3.792 -1.536 1.00 0.00 O ATOM 400 CB THR A 45 -6.408 3.079 -4.246 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.071 4.469 -4.205 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.856 2.925 -4.676 1.00 0.00 C ATOM 0 H THR A 45 -7.779 1.976 -1.599 1.00 0.00 H new ATOM 0 HA THR A 45 -6.184 1.350 -2.972 1.00 0.00 H new ATOM 0 HB THR A 45 -5.770 2.570 -4.968 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.107 4.787 -3.279 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.997 3.388 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.107 1.866 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.505 3.410 -3.947 1.00 0.00 H new ATOM 410 N VAL A 46 -3.762 2.222 -2.822 1.00 0.00 N ATOM 411 CA VAL A 46 -2.380 2.514 -2.411 1.00 0.00 C ATOM 412 C VAL A 46 -2.173 3.972 -1.969 1.00 0.00 C ATOM 413 O VAL A 46 -1.363 4.239 -1.089 1.00 0.00 O ATOM 414 CB VAL A 46 -1.381 2.146 -3.533 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.028 2.802 -3.305 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.230 0.630 -3.628 1.00 0.00 C ATOM 0 H VAL A 46 -3.836 1.470 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.187 1.891 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.778 2.522 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.652 2.524 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.147 3.885 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.383 2.468 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.524 0.384 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.860 0.241 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.198 0.181 -3.851 1.00 0.00 H new ATOM 426 N PHE A 47 -2.897 4.907 -2.574 1.00 0.00 N ATOM 427 CA PHE A 47 -2.789 6.318 -2.199 1.00 0.00 C ATOM 428 C PHE A 47 -3.228 6.486 -0.760 1.00 0.00 C ATOM 429 O PHE A 47 -2.429 6.855 0.100 1.00 0.00 O ATOM 430 CB PHE A 47 -3.641 7.186 -3.132 1.00 0.00 C ATOM 431 CG PHE A 47 -3.743 8.623 -2.704 1.00 0.00 C ATOM 432 CD1 PHE A 47 -2.809 9.553 -3.129 1.00 0.00 C ATOM 433 CD2 PHE A 47 -4.772 9.042 -1.877 1.00 0.00 C ATOM 434 CE1 PHE A 47 -2.899 10.875 -2.737 1.00 0.00 C ATOM 435 CE2 PHE A 47 -4.867 10.363 -1.481 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.930 11.280 -1.912 1.00 0.00 C ATOM 0 H PHE A 47 -3.563 4.718 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.752 6.641 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.219 7.145 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.644 6.763 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.001 9.241 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.508 8.329 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.164 11.591 -3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.674 10.677 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.003 12.313 -1.605 1.00 0.00 H new ATOM 446 N HIS A 48 -4.496 6.222 -0.495 1.00 0.00 N ATOM 447 CA HIS A 48 -4.987 6.300 0.862 1.00 0.00 C ATOM 448 C HIS A 48 -4.318 5.201 1.660 1.00 0.00 C ATOM 449 O HIS A 48 -3.950 5.381 2.818 1.00 0.00 O ATOM 450 CB HIS A 48 -6.492 6.145 0.911 1.00 0.00 C ATOM 451 CG HIS A 48 -7.233 7.269 0.254 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.555 7.280 -1.087 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.715 8.429 0.762 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.199 8.398 -1.375 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.310 9.110 -0.270 1.00 0.00 N ATOM 0 H HIS A 48 -5.192 5.956 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.751 7.278 1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.768 5.208 0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.808 6.072 1.952 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.331 6.541 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.644 8.757 1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.571 8.680 -2.349 1.00 0.00 H new ATOM 464 N MET A 49 -4.167 4.043 1.022 1.00 0.00 N ATOM 465 CA MET A 49 -3.483 2.929 1.644 1.00 0.00 C ATOM 466 C MET A 49 -2.139 3.428 2.147 1.00 0.00 C ATOM 467 O MET A 49 -1.658 3.031 3.206 1.00 0.00 O ATOM 468 CB MET A 49 -3.285 1.780 0.658 1.00 0.00 C ATOM 469 CG MET A 49 -3.313 0.410 1.317 1.00 0.00 C ATOM 470 SD MET A 49 -3.556 -0.923 0.130 1.00 0.00 S ATOM 471 CE MET A 49 -2.041 -0.811 -0.816 1.00 0.00 C ATOM 0 H MET A 49 -4.510 3.859 0.079 1.00 0.00 H new ATOM 0 HA MET A 49 -4.084 2.546 2.469 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.064 1.825 -0.103 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.331 1.910 0.146 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.377 0.249 1.852 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.113 0.383 2.057 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.280 -0.718 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.474 0.063 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.445 -1.709 -0.656 1.00 0.00 H new ATOM 481 N LYS A 50 -1.553 4.330 1.359 1.00 0.00 N ATOM 482 CA LYS A 50 -0.290 4.947 1.705 1.00 0.00 C ATOM 483 C LYS A 50 -0.546 5.949 2.809 1.00 0.00 C ATOM 484 O LYS A 50 0.252 6.099 3.734 1.00 0.00 O ATOM 485 CB LYS A 50 0.336 5.665 0.503 1.00 0.00 C ATOM 486 CG LYS A 50 1.305 4.812 -0.300 1.00 0.00 C ATOM 487 CD LYS A 50 2.255 5.671 -1.125 1.00 0.00 C ATOM 488 CE LYS A 50 1.509 6.690 -1.974 1.00 0.00 C ATOM 489 NZ LYS A 50 0.553 6.043 -2.911 1.00 0.00 N ATOM 0 H LYS A 50 -1.944 4.646 0.471 1.00 0.00 H new ATOM 0 HA LYS A 50 0.406 4.173 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.461 6.007 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.859 6.553 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.880 4.179 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.746 4.149 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.946 6.189 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.855 5.030 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.969 7.378 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.226 7.284 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.079 6.772 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.068 5.393 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.158 5.511 -2.369 1.00 0.00 H new ATOM 503 N ARG A 51 -1.682 6.639 2.696 1.00 0.00 N ATOM 504 CA ARG A 51 -2.070 7.620 3.689 1.00 0.00 C ATOM 505 C ARG A 51 -2.039 6.980 5.075 1.00 0.00 C ATOM 506 O ARG A 51 -1.269 7.377 5.960 1.00 0.00 O ATOM 507 CB ARG A 51 -3.464 8.182 3.395 1.00 0.00 C ATOM 508 CG ARG A 51 -3.492 9.153 2.225 1.00 0.00 C ATOM 509 CD ARG A 51 -2.703 10.416 2.530 1.00 0.00 C ATOM 510 NE ARG A 51 -3.231 11.124 3.693 1.00 0.00 N ATOM 511 CZ ARG A 51 -2.650 12.188 4.241 1.00 0.00 C ATOM 512 NH1 ARG A 51 -1.521 12.671 3.737 1.00 0.00 N ATOM 513 NH2 ARG A 51 -3.200 12.773 5.296 1.00 0.00 N ATOM 0 H ARG A 51 -2.342 6.531 1.926 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.363 8.449 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.144 7.356 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.839 8.687 4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.079 8.670 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.524 9.415 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.659 10.157 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.726 11.076 1.663 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.097 10.782 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.094 12.226 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.081 13.487 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.068 12.407 5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.755 13.589 5.717 1.00 0.00 H new ATOM 527 N ARG A 52 -2.873 5.959 5.242 1.00 0.00 N ATOM 528 CA ARG A 52 -2.952 5.229 6.494 1.00 0.00 C ATOM 529 C ARG A 52 -1.643 4.500 6.770 1.00 0.00 C ATOM 530 O ARG A 52 -1.347 4.172 7.916 1.00 0.00 O ATOM 531 CB ARG A 52 -4.118 4.242 6.467 1.00 0.00 C ATOM 532 CG ARG A 52 -5.433 4.841 6.936 1.00 0.00 C ATOM 533 CD ARG A 52 -5.806 6.072 6.125 1.00 0.00 C ATOM 534 NE ARG A 52 -7.049 6.680 6.594 1.00 0.00 N ATOM 535 CZ ARG A 52 -7.437 7.913 6.275 1.00 0.00 C ATOM 536 NH1 ARG A 52 -6.683 8.670 5.487 1.00 0.00 N ATOM 537 NH2 ARG A 52 -8.581 8.389 6.745 1.00 0.00 N ATOM 0 H ARG A 52 -3.506 5.620 4.518 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.125 5.944 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.241 3.866 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.873 3.386 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.224 4.096 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.357 5.108 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.000 6.803 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.910 5.797 5.075 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.655 6.128 7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.802 8.308 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.985 9.614 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.164 7.811 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.879 9.334 6.501 1.00 0.00 H new ATOM 551 N LEU A 53 -0.865 4.227 5.718 1.00 0.00 N ATOM 552 CA LEU A 53 0.424 3.563 5.893 1.00 0.00 C ATOM 553 C LEU A 53 1.326 4.431 6.759 1.00 0.00 C ATOM 554 O LEU A 53 1.767 4.005 7.825 1.00 0.00 O ATOM 555 CB LEU A 53 1.073 3.265 4.544 1.00 0.00 C ATOM 556 CG LEU A 53 1.178 1.776 4.195 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.218 1.088 5.063 1.00 0.00 C ATOM 558 CD2 LEU A 53 -0.174 1.089 4.340 1.00 0.00 C ATOM 0 H LEU A 53 -1.103 4.452 4.752 1.00 0.00 H new ATOM 0 HA LEU A 53 0.268 2.607 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.502 3.767 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.074 3.697 4.535 1.00 0.00 H new ATOM 0 HG LEU A 53 1.494 1.697 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.274 0.033 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.190 1.554 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.937 1.183 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.075 0.033 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.522 1.185 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.894 1.557 3.668 1.00 0.00 H new ATOM 570 N HIS A 54 1.601 5.652 6.303 1.00 0.00 N ATOM 571 CA HIS A 54 2.408 6.579 7.080 1.00 0.00 C ATOM 572 C HIS A 54 1.842 6.677 8.492 1.00 0.00 C ATOM 573 O HIS A 54 2.583 6.776 9.469 1.00 0.00 O ATOM 574 CB HIS A 54 2.412 7.964 6.423 1.00 0.00 C ATOM 575 CG HIS A 54 3.011 9.035 7.283 1.00 0.00 C ATOM 576 ND1 HIS A 54 2.378 10.234 7.540 1.00 0.00 N ATOM 577 CD2 HIS A 54 4.186 9.081 7.955 1.00 0.00 C ATOM 578 CE1 HIS A 54 3.138 10.970 8.332 1.00 0.00 C ATOM 579 NE2 HIS A 54 4.239 10.293 8.599 1.00 0.00 N ATOM 0 H HIS A 54 1.278 6.016 5.407 1.00 0.00 H new ATOM 0 HA HIS A 54 3.434 6.212 7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.966 7.911 5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.388 8.241 6.173 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.941 8.309 7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.899 11.957 8.698 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.006 10.617 9.188 1.00 0.00 H new ATOM 588 N ALA A 55 0.515 6.649 8.583 1.00 0.00 N ATOM 589 CA ALA A 55 -0.163 6.726 9.870 1.00 0.00 C ATOM 590 C ALA A 55 -0.028 5.425 10.664 1.00 0.00 C ATOM 591 O ALA A 55 -0.014 5.446 11.895 1.00 0.00 O ATOM 592 CB ALA A 55 -1.631 7.069 9.669 1.00 0.00 C ATOM 0 H ALA A 55 -0.110 6.574 7.780 1.00 0.00 H new ATOM 0 HA ALA A 55 0.317 7.515 10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.128 7.124 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.714 8.031 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.105 6.298 9.061 1.00 0.00 H new ATOM 598 N ALA A 56 0.072 4.295 9.964 1.00 0.00 N ATOM 599 CA ALA A 56 0.188 3.000 10.625 1.00 0.00 C ATOM 600 C ALA A 56 1.641 2.614 10.897 1.00 0.00 C ATOM 601 O ALA A 56 2.007 2.319 12.035 1.00 0.00 O ATOM 602 CB ALA A 56 -0.492 1.925 9.790 1.00 0.00 C ATOM 0 H ALA A 56 0.075 4.252 8.945 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.310 3.084 11.591 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.400 0.962 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.547 2.172 9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.017 1.870 8.810 1.00 0.00 H new ATOM 608 N GLU A 57 2.467 2.618 9.855 1.00 0.00 N ATOM 609 CA GLU A 57 3.871 2.241 9.997 1.00 0.00 C ATOM 610 C GLU A 57 4.744 3.448 10.323 1.00 0.00 C ATOM 611 O GLU A 57 5.603 3.384 11.203 1.00 0.00 O ATOM 612 CB GLU A 57 4.384 1.569 8.718 1.00 0.00 C ATOM 613 CG GLU A 57 3.304 0.865 7.909 1.00 0.00 C ATOM 614 CD GLU A 57 2.569 -0.196 8.704 1.00 0.00 C ATOM 615 OE1 GLU A 57 1.769 0.170 9.589 1.00 0.00 O ATOM 616 OE2 GLU A 57 2.794 -1.396 8.439 1.00 0.00 O ATOM 0 H GLU A 57 2.191 2.877 8.908 1.00 0.00 H new ATOM 0 HA GLU A 57 3.933 1.535 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.860 2.323 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.153 0.844 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.588 1.603 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.757 0.405 7.031 1.00 0.00 H new ATOM 623 N GLY A 58 4.521 4.550 9.613 1.00 0.00 N ATOM 624 CA GLY A 58 5.311 5.745 9.834 1.00 0.00 C ATOM 625 C GLY A 58 6.039 6.181 8.578 1.00 0.00 C ATOM 626 O GLY A 58 6.817 7.135 8.600 1.00 0.00 O ATOM 0 H GLY A 58 3.807 4.635 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.662 6.551 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.035 5.560 10.628 1.00 0.00 H new ATOM 630 N VAL A 59 5.780 5.477 7.479 1.00 0.00 N ATOM 631 CA VAL A 59 6.404 5.784 6.205 1.00 0.00 C ATOM 632 C VAL A 59 5.565 6.791 5.419 1.00 0.00 C ATOM 633 O VAL A 59 4.484 6.472 4.927 1.00 0.00 O ATOM 634 CB VAL A 59 6.607 4.501 5.370 1.00 0.00 C ATOM 635 CG1 VAL A 59 5.285 3.785 5.132 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.302 4.818 4.056 1.00 0.00 C ATOM 0 H VAL A 59 5.137 4.686 7.451 1.00 0.00 H new ATOM 0 HA VAL A 59 7.379 6.225 6.409 1.00 0.00 H new ATOM 0 HB VAL A 59 7.249 3.828 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.460 2.886 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.842 3.510 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.605 4.446 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.435 3.900 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.694 5.518 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.276 5.264 4.258 1.00 0.00 H new ATOM 682 N SER A 63 8.621 8.473 1.398 1.00 0.00 N ATOM 683 CA SER A 63 9.268 7.252 1.866 1.00 0.00 C ATOM 684 C SER A 63 8.421 6.020 1.549 1.00 0.00 C ATOM 685 O SER A 63 8.828 4.891 1.822 1.00 0.00 O ATOM 686 CB SER A 63 9.509 7.341 3.372 1.00 0.00 C ATOM 687 OG SER A 63 8.332 7.736 4.055 1.00 0.00 O ATOM 0 HA SER A 63 10.221 7.151 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.844 6.374 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.307 8.055 3.574 1.00 0.00 H new ATOM 0 HG SER A 63 7.742 8.218 3.439 1.00 0.00 H new ATOM 693 N GLN A 64 7.248 6.241 0.962 1.00 0.00 N ATOM 694 CA GLN A 64 6.344 5.150 0.625 1.00 0.00 C ATOM 695 C GLN A 64 6.490 4.716 -0.832 1.00 0.00 C ATOM 696 O GLN A 64 5.686 5.097 -1.684 1.00 0.00 O ATOM 697 CB GLN A 64 4.897 5.572 0.897 1.00 0.00 C ATOM 698 CG GLN A 64 4.491 5.455 2.358 1.00 0.00 C ATOM 699 CD GLN A 64 3.011 5.675 2.573 1.00 0.00 C ATOM 700 OE1 GLN A 64 2.234 4.727 2.576 1.00 0.00 O ATOM 701 NE2 GLN A 64 2.613 6.928 2.753 1.00 0.00 N ATOM 0 H GLN A 64 6.903 7.167 0.710 1.00 0.00 H new ATOM 0 HA GLN A 64 6.607 4.298 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.762 6.604 0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.229 4.958 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.765 4.467 2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.051 6.182 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.295 7.686 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.625 7.133 2.902 1.00 0.00 H new ATOM 710 N ARG A 65 7.518 3.918 -1.119 1.00 0.00 N ATOM 711 CA ARG A 65 7.738 3.422 -2.475 1.00 0.00 C ATOM 712 C ARG A 65 7.070 2.060 -2.641 1.00 0.00 C ATOM 713 O ARG A 65 7.569 1.050 -2.147 1.00 0.00 O ATOM 714 CB ARG A 65 9.232 3.321 -2.774 1.00 0.00 C ATOM 715 CG ARG A 65 9.972 4.639 -2.624 1.00 0.00 C ATOM 716 CD ARG A 65 11.452 4.487 -2.939 1.00 0.00 C ATOM 717 NE ARG A 65 11.676 4.033 -4.310 1.00 0.00 N ATOM 718 CZ ARG A 65 12.879 3.938 -4.871 1.00 0.00 C ATOM 719 NH1 ARG A 65 13.967 4.263 -4.185 1.00 0.00 N ATOM 720 NH2 ARG A 65 12.993 3.517 -6.124 1.00 0.00 N ATOM 0 H ARG A 65 8.207 3.604 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 65 7.296 4.124 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.679 2.585 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.367 2.952 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.532 5.382 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.852 5.011 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.955 5.442 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.899 3.776 -2.244 1.00 0.00 H new ATOM 0 HE ARG A 65 10.863 3.774 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.884 4.588 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.886 4.188 -4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.159 3.267 -6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.914 3.444 -6.556 1.00 0.00 H new ATOM 734 N TRP A 66 5.938 2.042 -3.341 1.00 0.00 N ATOM 735 CA TRP A 66 5.172 0.814 -3.544 1.00 0.00 C ATOM 736 C TRP A 66 5.747 -0.063 -4.651 1.00 0.00 C ATOM 737 O TRP A 66 6.122 0.419 -5.718 1.00 0.00 O ATOM 738 CB TRP A 66 3.718 1.157 -3.855 1.00 0.00 C ATOM 739 CG TRP A 66 2.828 1.068 -2.655 1.00 0.00 C ATOM 740 CD1 TRP A 66 1.606 0.471 -2.591 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.095 1.583 -1.346 1.00 0.00 C ATOM 742 NE1 TRP A 66 1.091 0.587 -1.326 1.00 0.00 N ATOM 743 CE2 TRP A 66 1.985 1.264 -0.542 1.00 0.00 C ATOM 744 CE3 TRP A 66 4.162 2.281 -0.772 1.00 0.00 C ATOM 745 CZ2 TRP A 66 1.911 1.618 0.799 1.00 0.00 C ATOM 746 CZ3 TRP A 66 4.086 2.631 0.563 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.969 2.300 1.336 1.00 0.00 C ATOM 0 H TRP A 66 5.529 2.868 -3.779 1.00 0.00 H new ATOM 0 HA TRP A 66 5.232 0.241 -2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.668 2.166 -4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.348 0.482 -4.626 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.114 -0.022 -3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.187 0.227 -1.019 1.00 0.00 H new ATOM 0 HE3 TRP A 66 5.029 2.542 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.048 1.364 1.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.904 3.170 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.941 2.588 2.377 1.00 0.00 H new ATOM 758 N PHE A 67 5.781 -1.368 -4.384 1.00 0.00 N ATOM 759 CA PHE A 67 6.301 -2.341 -5.340 1.00 0.00 C ATOM 760 C PHE A 67 5.642 -3.707 -5.155 1.00 0.00 C ATOM 761 O PHE A 67 5.705 -4.292 -4.077 1.00 0.00 O ATOM 762 CB PHE A 67 7.811 -2.489 -5.173 1.00 0.00 C ATOM 763 CG PHE A 67 8.577 -1.231 -5.467 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.744 -0.797 -6.772 1.00 0.00 C ATOM 765 CD2 PHE A 67 9.128 -0.482 -4.440 1.00 0.00 C ATOM 766 CE1 PHE A 67 9.448 0.359 -7.049 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.833 0.675 -4.711 1.00 0.00 C ATOM 768 CZ PHE A 67 9.994 1.097 -6.017 1.00 0.00 C ATOM 0 H PHE A 67 5.453 -1.776 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 67 6.073 -1.974 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.026 -2.804 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.165 -3.282 -5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.319 -1.370 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.005 -0.806 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.571 0.685 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.258 1.250 -3.902 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.545 2.001 -6.230 1.00 0.00 H new ATOM 778 N PHE A 68 5.017 -4.211 -6.214 1.00 0.00 N ATOM 779 CA PHE A 68 4.362 -5.515 -6.167 1.00 0.00 C ATOM 780 C PHE A 68 4.968 -6.462 -7.197 1.00 0.00 C ATOM 781 O PHE A 68 4.984 -6.167 -8.392 1.00 0.00 O ATOM 782 CB PHE A 68 2.864 -5.373 -6.426 1.00 0.00 C ATOM 783 CG PHE A 68 2.096 -6.644 -6.199 1.00 0.00 C ATOM 784 CD1 PHE A 68 2.115 -7.658 -7.142 1.00 0.00 C ATOM 785 CD2 PHE A 68 1.355 -6.824 -5.041 1.00 0.00 C ATOM 786 CE1 PHE A 68 1.411 -8.829 -6.935 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.650 -7.993 -4.828 1.00 0.00 C ATOM 788 CZ PHE A 68 0.677 -8.997 -5.776 1.00 0.00 C ATOM 0 H PHE A 68 4.950 -3.737 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 68 4.515 -5.930 -5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.463 -4.594 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.710 -5.043 -7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.687 -7.532 -8.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.329 -6.042 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.434 -9.612 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.078 -8.122 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.126 -9.911 -5.612 1.00 0.00 H new ATOM 798 N SER A 69 5.469 -7.600 -6.725 1.00 0.00 N ATOM 799 CA SER A 69 6.077 -8.595 -7.603 1.00 0.00 C ATOM 800 C SER A 69 7.343 -8.057 -8.273 1.00 0.00 C ATOM 801 O SER A 69 7.884 -8.686 -9.183 1.00 0.00 O ATOM 802 CB SER A 69 5.078 -9.046 -8.670 1.00 0.00 C ATOM 803 OG SER A 69 5.645 -10.031 -9.518 1.00 0.00 O ATOM 0 H SER A 69 5.466 -7.856 -5.738 1.00 0.00 H new ATOM 0 HA SER A 69 6.357 -9.449 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.185 -9.446 -8.190 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.764 -8.188 -9.264 1.00 0.00 H new ATOM 0 HG SER A 69 6.612 -9.889 -9.583 1.00 0.00 H new ATOM 809 N GLY A 70 7.813 -6.896 -7.823 1.00 0.00 N ATOM 810 CA GLY A 70 9.014 -6.313 -8.395 1.00 0.00 C ATOM 811 C GLY A 70 8.722 -5.149 -9.324 1.00 0.00 C ATOM 812 O GLY A 70 9.600 -4.705 -10.064 1.00 0.00 O ATOM 0 H GLY A 70 7.385 -6.351 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.666 -5.974 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.559 -7.081 -8.944 1.00 0.00 H new ATOM 816 N ARG A 71 7.490 -4.651 -9.288 1.00 0.00 N ATOM 817 CA ARG A 71 7.094 -3.530 -10.130 1.00 0.00 C ATOM 818 C ARG A 71 6.468 -2.425 -9.283 1.00 0.00 C ATOM 819 O ARG A 71 5.758 -2.704 -8.320 1.00 0.00 O ATOM 820 CB ARG A 71 6.103 -3.993 -11.200 1.00 0.00 C ATOM 821 CG ARG A 71 6.647 -5.092 -12.098 1.00 0.00 C ATOM 822 CD ARG A 71 7.911 -4.650 -12.818 1.00 0.00 C ATOM 823 NE ARG A 71 7.683 -3.476 -13.656 1.00 0.00 N ATOM 824 CZ ARG A 71 8.620 -2.920 -14.423 1.00 0.00 C ATOM 825 NH1 ARG A 71 9.845 -3.428 -14.460 1.00 0.00 N ATOM 826 NH2 ARG A 71 8.329 -1.852 -15.154 1.00 0.00 N ATOM 0 H ARG A 71 6.749 -5.007 -8.684 1.00 0.00 H new ATOM 0 HA ARG A 71 7.984 -3.136 -10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.195 -4.349 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.820 -3.139 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.859 -5.979 -11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.890 -5.373 -12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.686 -4.427 -12.085 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.282 -5.469 -13.435 1.00 0.00 H new ATOM 0 HE ARG A 71 6.753 -3.057 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.074 -4.249 -13.899 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.558 -2.998 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.389 -1.457 -15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.045 -1.425 -15.742 1.00 0.00 H new ATOM 840 N PRO A 72 6.713 -1.151 -9.637 1.00 0.00 N ATOM 841 CA PRO A 72 6.170 -0.011 -8.891 1.00 0.00 C ATOM 842 C PRO A 72 4.661 0.114 -9.054 1.00 0.00 C ATOM 843 O PRO A 72 4.159 0.270 -10.167 1.00 0.00 O ATOM 844 CB PRO A 72 6.879 1.194 -9.514 1.00 0.00 C ATOM 845 CG PRO A 72 7.244 0.751 -10.888 1.00 0.00 C ATOM 846 CD PRO A 72 7.531 -0.722 -10.787 1.00 0.00 C ATOM 0 HA PRO A 72 6.335 -0.108 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.227 2.067 -9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.763 1.473 -8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.431 0.943 -11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.115 1.294 -11.254 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.251 -1.250 -11.699 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.591 -0.914 -10.620 1.00 0.00 H new ATOM 854 N LEU A 73 3.941 0.046 -7.937 1.00 0.00 N ATOM 855 CA LEU A 73 2.484 0.142 -7.967 1.00 0.00 C ATOM 856 C LEU A 73 2.013 1.590 -7.876 1.00 0.00 C ATOM 857 O LEU A 73 2.681 2.438 -7.285 1.00 0.00 O ATOM 858 CB LEU A 73 1.873 -0.681 -6.829 1.00 0.00 C ATOM 859 CG LEU A 73 1.142 -1.947 -7.275 1.00 0.00 C ATOM 860 CD1 LEU A 73 2.048 -2.815 -8.136 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.628 -2.725 -6.074 1.00 0.00 C ATOM 0 H LEU A 73 4.339 -0.074 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 73 2.147 -0.260 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.666 -0.961 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.175 -0.051 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 73 0.283 -1.651 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.509 -3.711 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.355 -2.256 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.930 -3.101 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.111 -3.622 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.467 -3.009 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.063 -2.102 -5.506 1.00 0.00 H new ATOM 872 N THR A 74 0.853 1.860 -8.470 1.00 0.00 N ATOM 873 CA THR A 74 0.277 3.198 -8.461 1.00 0.00 C ATOM 874 C THR A 74 -0.429 3.477 -7.140 1.00 0.00 C ATOM 875 O THR A 74 -0.518 2.604 -6.276 1.00 0.00 O ATOM 876 CB THR A 74 -0.725 3.390 -9.614 1.00 0.00 C ATOM 877 OG1 THR A 74 -1.854 2.527 -9.433 1.00 0.00 O ATOM 878 CG2 THR A 74 -0.068 3.097 -10.955 1.00 0.00 C ATOM 0 H THR A 74 0.293 1.166 -8.965 1.00 0.00 H new ATOM 0 HA THR A 74 1.102 3.899 -8.589 1.00 0.00 H new ATOM 0 HB THR A 74 -1.057 4.428 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.630 1.626 -9.745 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.795 3.239 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.773 3.774 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.289 2.067 -10.968 1.00 0.00 H new ATOM 886 N ASP A 75 -0.930 4.697 -6.992 1.00 0.00 N ATOM 887 CA ASP A 75 -1.620 5.106 -5.783 1.00 0.00 C ATOM 888 C ASP A 75 -3.123 4.832 -5.893 1.00 0.00 C ATOM 889 O ASP A 75 -3.905 5.270 -5.052 1.00 0.00 O ATOM 890 CB ASP A 75 -1.348 6.589 -5.520 1.00 0.00 C ATOM 891 CG ASP A 75 -2.078 7.501 -6.490 1.00 0.00 C ATOM 892 OD1 ASP A 75 -3.256 7.823 -6.230 1.00 0.00 O ATOM 893 OD2 ASP A 75 -1.470 7.891 -7.509 1.00 0.00 O ATOM 0 H ASP A 75 -0.868 5.424 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.244 4.523 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.649 6.834 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.276 6.775 -5.589 1.00 0.00 H new ATOM 898 N LYS A 76 -3.512 4.110 -6.944 1.00 0.00 N ATOM 899 CA LYS A 76 -4.909 3.759 -7.180 1.00 0.00 C ATOM 900 C LYS A 76 -5.005 2.294 -7.595 1.00 0.00 C ATOM 901 O LYS A 76 -5.706 1.944 -8.546 1.00 0.00 O ATOM 902 CB LYS A 76 -5.499 4.654 -8.272 1.00 0.00 C ATOM 903 CG LYS A 76 -5.590 6.118 -7.873 1.00 0.00 C ATOM 904 CD LYS A 76 -6.231 6.955 -8.968 1.00 0.00 C ATOM 905 CE LYS A 76 -5.427 6.898 -10.257 1.00 0.00 C ATOM 906 NZ LYS A 76 -6.044 7.723 -11.332 1.00 0.00 N ATOM 0 H LYS A 76 -2.869 3.754 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.476 3.909 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.888 4.568 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.495 4.293 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.171 6.211 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.592 6.500 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.244 6.598 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.314 7.990 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.412 7.248 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.350 5.864 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.466 7.658 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.003 7.373 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.094 8.715 -11.023 1.00 0.00 H new ATOM 920 N MET A 77 -4.290 1.445 -6.866 1.00 0.00 N ATOM 921 CA MET A 77 -4.232 0.015 -7.164 1.00 0.00 C ATOM 922 C MET A 77 -5.304 -0.831 -6.467 1.00 0.00 C ATOM 923 O MET A 77 -5.694 -1.874 -6.993 1.00 0.00 O ATOM 924 CB MET A 77 -2.861 -0.522 -6.767 1.00 0.00 C ATOM 925 CG MET A 77 -1.715 0.065 -7.575 1.00 0.00 C ATOM 926 SD MET A 77 -1.805 -0.372 -9.322 1.00 0.00 S ATOM 927 CE MET A 77 -1.745 -2.160 -9.228 1.00 0.00 C ATOM 0 H MET A 77 -3.736 1.724 -6.056 1.00 0.00 H new ATOM 0 HA MET A 77 -4.419 -0.072 -8.234 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.692 -0.315 -5.710 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.858 -1.606 -6.884 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.723 1.150 -7.475 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.768 -0.286 -7.164 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.998 -2.536 -9.927 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.480 -2.462 -8.215 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.721 -2.571 -9.485 1.00 0.00 H new ATOM 937 N LYS A 78 -5.832 -0.386 -5.328 1.00 0.00 N ATOM 938 CA LYS A 78 -6.800 -1.213 -4.604 1.00 0.00 C ATOM 939 C LYS A 78 -7.996 -1.561 -5.482 1.00 0.00 C ATOM 940 O LYS A 78 -8.160 -2.711 -5.897 1.00 0.00 O ATOM 941 CB LYS A 78 -7.280 -0.527 -3.326 1.00 0.00 C ATOM 942 CG LYS A 78 -8.345 -1.305 -2.565 1.00 0.00 C ATOM 943 CD LYS A 78 -7.842 -2.673 -2.122 1.00 0.00 C ATOM 944 CE LYS A 78 -8.046 -3.732 -3.196 1.00 0.00 C ATOM 945 NZ LYS A 78 -9.452 -3.772 -3.685 1.00 0.00 N ATOM 0 H LYS A 78 -5.616 0.513 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.286 -2.134 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.425 -0.366 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.676 0.456 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.658 -0.733 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.225 -1.429 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.782 -2.607 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.363 -2.974 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.377 -3.532 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.774 -4.709 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.635 -4.689 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.102 -3.649 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.602 -3.007 -4.373 1.00 0.00 H new ATOM 959 N PHE A 79 -8.823 -0.572 -5.773 1.00 0.00 N ATOM 960 CA PHE A 79 -9.990 -0.787 -6.614 1.00 0.00 C ATOM 961 C PHE A 79 -9.596 -1.207 -8.036 1.00 0.00 C ATOM 962 O PHE A 79 -10.458 -1.583 -8.829 1.00 0.00 O ATOM 963 CB PHE A 79 -10.841 0.481 -6.681 1.00 0.00 C ATOM 964 CG PHE A 79 -12.080 0.333 -7.518 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.143 -0.438 -7.075 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.183 0.966 -8.747 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.285 -0.574 -7.842 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.321 0.833 -9.518 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.375 0.062 -9.064 1.00 0.00 C ATOM 0 H PHE A 79 -8.710 0.386 -5.441 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.567 -1.595 -6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.129 0.769 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.236 1.293 -7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.078 -0.938 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.363 1.571 -9.106 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.107 -1.178 -7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.388 1.331 -10.474 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.267 -0.043 -9.664 1.00 0.00 H new ATOM 979 N GLU A 80 -8.303 -1.136 -8.365 1.00 0.00 N ATOM 980 CA GLU A 80 -7.845 -1.481 -9.710 1.00 0.00 C ATOM 981 C GLU A 80 -7.566 -2.973 -9.864 1.00 0.00 C ATOM 982 O GLU A 80 -7.734 -3.532 -10.949 1.00 0.00 O ATOM 983 CB GLU A 80 -6.587 -0.681 -10.056 1.00 0.00 C ATOM 984 CG GLU A 80 -6.065 -0.944 -11.459 1.00 0.00 C ATOM 985 CD GLU A 80 -7.081 -0.603 -12.532 1.00 0.00 C ATOM 986 OE1 GLU A 80 -7.875 -1.493 -12.903 1.00 0.00 O ATOM 987 OE2 GLU A 80 -7.083 0.555 -13.001 1.00 0.00 O ATOM 0 H GLU A 80 -7.564 -0.846 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.650 -1.226 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.803 0.382 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.805 -0.920 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.160 -0.359 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.786 -1.994 -11.548 1.00 0.00 H new ATOM 994 N GLU A 81 -7.141 -3.616 -8.785 1.00 0.00 N ATOM 995 CA GLU A 81 -6.828 -5.032 -8.824 1.00 0.00 C ATOM 996 C GLU A 81 -8.062 -5.820 -8.437 1.00 0.00 C ATOM 997 O GLU A 81 -8.496 -6.725 -9.148 1.00 0.00 O ATOM 998 CB GLU A 81 -5.661 -5.348 -7.889 1.00 0.00 C ATOM 999 CG GLU A 81 -5.024 -6.704 -8.144 1.00 0.00 C ATOM 1000 CD GLU A 81 -4.652 -6.911 -9.599 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -5.499 -7.422 -10.361 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -3.514 -6.562 -9.977 1.00 0.00 O ATOM 0 H GLU A 81 -7.006 -3.177 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.527 -5.313 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.901 -4.574 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.012 -5.310 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.131 -6.803 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.714 -7.489 -7.834 1.00 0.00 H new ATOM 1009 N LEU A 82 -8.607 -5.455 -7.279 1.00 0.00 N ATOM 1010 CA LEU A 82 -9.819 -6.056 -6.744 1.00 0.00 C ATOM 1011 C LEU A 82 -9.543 -7.404 -6.098 1.00 0.00 C ATOM 1012 O LEU A 82 -10.167 -7.760 -5.099 1.00 0.00 O ATOM 1013 CB LEU A 82 -10.889 -6.184 -7.826 1.00 0.00 C ATOM 1014 CG LEU A 82 -11.383 -4.867 -8.432 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -11.787 -3.893 -7.335 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -10.322 -4.252 -9.328 1.00 0.00 C ATOM 0 H LEU A 82 -8.214 -4.727 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.194 -5.390 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.495 -6.807 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.744 -6.712 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.260 -5.082 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.135 -2.963 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.587 -4.329 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.928 -3.688 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.696 -3.318 -9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.423 -4.054 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.084 -4.943 -10.137 1.00 0.00 H new ATOM 1028 N LYS A 83 -8.624 -8.156 -6.676 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.250 -9.450 -6.133 1.00 0.00 C ATOM 1030 C LYS A 83 -7.027 -9.307 -5.231 1.00 0.00 C ATOM 1031 O LYS A 83 -6.481 -10.291 -4.735 1.00 0.00 O ATOM 1032 CB LYS A 83 -7.954 -10.428 -7.267 1.00 0.00 C ATOM 1033 CG LYS A 83 -6.836 -9.961 -8.182 1.00 0.00 C ATOM 1034 CD LYS A 83 -7.087 -10.382 -9.617 1.00 0.00 C ATOM 1035 CE LYS A 83 -8.205 -9.566 -10.246 1.00 0.00 C ATOM 1036 NZ LYS A 83 -8.553 -10.060 -11.608 1.00 0.00 N ATOM 0 H LYS A 83 -8.122 -7.892 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.080 -9.837 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.687 -11.396 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.859 -10.576 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.749 -8.876 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.887 -10.374 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.173 -10.260 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.345 -11.441 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.088 -9.607 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.903 -8.520 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.319 -9.478 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.717 -9.997 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.866 -11.050 -11.549 1.00 0.00 H new ATOM 1050 N ILE A 84 -6.610 -8.059 -5.027 1.00 0.00 N ATOM 1051 CA ILE A 84 -5.464 -7.743 -4.204 1.00 0.00 C ATOM 1052 C ILE A 84 -5.818 -7.640 -2.709 1.00 0.00 C ATOM 1053 O ILE A 84 -4.944 -7.800 -1.857 1.00 0.00 O ATOM 1054 CB ILE A 84 -4.812 -6.426 -4.685 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -3.354 -6.352 -4.247 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.586 -5.213 -4.186 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -2.612 -5.169 -4.829 1.00 0.00 C ATOM 0 H ILE A 84 -7.065 -7.242 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.757 -8.566 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.843 -6.418 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.311 -6.299 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.847 -7.271 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.103 -4.302 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.608 -5.253 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.602 -5.215 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.581 -5.177 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.624 -5.231 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.096 -4.245 -4.513 1.00 0.00 H new ATOM 1069 N PRO A 85 -7.097 -7.368 -2.359 1.00 0.00 N ATOM 1070 CA PRO A 85 -7.514 -7.246 -0.964 1.00 0.00 C ATOM 1071 C PRO A 85 -7.871 -8.588 -0.331 1.00 0.00 C ATOM 1072 O PRO A 85 -8.926 -8.729 0.288 1.00 0.00 O ATOM 1073 CB PRO A 85 -8.752 -6.363 -1.064 1.00 0.00 C ATOM 1074 CG PRO A 85 -9.363 -6.722 -2.374 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.234 -7.157 -3.277 1.00 0.00 C ATOM 0 HA PRO A 85 -6.721 -6.846 -0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.441 -6.551 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.489 -5.306 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.092 -7.523 -2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.893 -5.870 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.485 -8.070 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.007 -6.397 -4.025 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.990 -9.569 -0.485 1.00 0.00 N ATOM 1084 CA LYS A 86 -7.223 -10.893 0.079 1.00 0.00 C ATOM 1085 C LYS A 86 -5.905 -11.591 0.399 1.00 0.00 C ATOM 1086 O LYS A 86 -5.472 -11.618 1.551 1.00 0.00 O ATOM 1087 CB LYS A 86 -8.054 -11.745 -0.884 1.00 0.00 C ATOM 1088 CG LYS A 86 -9.452 -11.200 -1.124 1.00 0.00 C ATOM 1089 CD LYS A 86 -10.232 -12.074 -2.094 1.00 0.00 C ATOM 1090 CE LYS A 86 -11.630 -11.528 -2.334 1.00 0.00 C ATOM 1091 NZ LYS A 86 -12.404 -12.380 -3.280 1.00 0.00 N ATOM 0 H LYS A 86 -6.111 -9.474 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.778 -10.771 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.531 -11.815 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.130 -12.757 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.987 -11.139 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.386 -10.186 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.697 -12.136 -3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.299 -13.088 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.162 -11.463 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.561 -10.515 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.352 -11.974 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.909 -12.422 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.492 -13.340 -2.890 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.271 -12.156 -0.624 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.005 -12.853 -0.444 1.00 0.00 C ATOM 1107 C ASP A 87 -2.864 -12.128 -1.156 1.00 0.00 C ATOM 1108 O ASP A 87 -1.788 -12.693 -1.348 1.00 0.00 O ATOM 1109 CB ASP A 87 -4.111 -14.288 -0.963 1.00 0.00 C ATOM 1110 CG ASP A 87 -4.459 -14.345 -2.438 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -5.665 -14.378 -2.762 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -3.526 -14.356 -3.267 1.00 0.00 O ATOM 0 H ASP A 87 -5.614 -12.144 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.785 -12.870 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.165 -14.803 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.870 -14.823 -0.392 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.100 -10.878 -1.550 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.079 -10.099 -2.240 1.00 0.00 C ATOM 1119 C TYR A 88 -1.418 -9.092 -1.302 1.00 0.00 C ATOM 1120 O TYR A 88 -2.050 -8.563 -0.379 1.00 0.00 O ATOM 1121 CB TYR A 88 -2.676 -9.393 -3.457 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.063 -10.340 -4.571 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -3.996 -11.348 -4.359 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -2.494 -10.229 -5.833 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.350 -12.217 -5.372 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -2.845 -11.094 -6.853 1.00 0.00 C ATOM 1127 CZ TYR A 88 -3.773 -12.086 -6.618 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.123 -12.949 -7.629 1.00 0.00 O ATOM 0 H TYR A 88 -3.982 -10.388 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.307 -10.788 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.556 -8.831 -3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.955 -8.670 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.452 -11.453 -3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.765 -9.454 -6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.076 -12.996 -5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.394 -10.993 -7.829 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.626 -12.719 -8.442 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.139 -8.827 -1.550 1.00 0.00 N ATOM 1139 CA VAL A 89 0.626 -7.902 -0.725 1.00 0.00 C ATOM 1140 C VAL A 89 1.510 -6.988 -1.569 1.00 0.00 C ATOM 1141 O VAL A 89 2.245 -7.454 -2.441 1.00 0.00 O ATOM 1142 CB VAL A 89 1.519 -8.674 0.270 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.505 -9.562 -0.474 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.252 -7.721 1.205 1.00 0.00 C ATOM 0 H VAL A 89 0.389 -9.242 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.095 -7.290 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 89 0.874 -9.308 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.126 -10.098 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.958 -10.279 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.138 -8.947 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.873 -8.293 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.882 -7.050 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.526 -7.136 1.770 1.00 0.00 H new ATOM 1154 N VAL A 90 1.433 -5.687 -1.308 1.00 0.00 N ATOM 1155 CA VAL A 90 2.255 -4.721 -2.028 1.00 0.00 C ATOM 1156 C VAL A 90 3.526 -4.445 -1.246 1.00 0.00 C ATOM 1157 O VAL A 90 3.479 -3.926 -0.130 1.00 0.00 O ATOM 1158 CB VAL A 90 1.509 -3.393 -2.290 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.346 -2.487 -3.179 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.151 -3.661 -2.917 1.00 0.00 C ATOM 0 H VAL A 90 0.814 -5.279 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 90 2.496 -5.158 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 90 1.349 -2.887 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.810 -1.555 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.295 -2.272 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.534 -2.984 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.361 -2.715 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.284 -4.185 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.446 -4.275 -2.243 1.00 0.00 H new ATOM 1170 N GLN A 91 4.666 -4.793 -1.832 1.00 0.00 N ATOM 1171 CA GLN A 91 5.939 -4.602 -1.164 1.00 0.00 C ATOM 1172 C GLN A 91 6.412 -3.164 -1.285 1.00 0.00 C ATOM 1173 O GLN A 91 6.655 -2.667 -2.384 1.00 0.00 O ATOM 1174 CB GLN A 91 6.992 -5.553 -1.725 1.00 0.00 C ATOM 1175 CG GLN A 91 8.293 -5.515 -0.949 1.00 0.00 C ATOM 1176 CD GLN A 91 9.419 -4.858 -1.724 1.00 0.00 C ATOM 1177 OE1 GLN A 91 9.448 -4.900 -2.953 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.355 -4.249 -1.006 1.00 0.00 N ATOM 0 H GLN A 91 4.731 -5.206 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 91 5.795 -4.825 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.598 -6.569 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.188 -5.297 -2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.138 -4.976 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.584 -6.532 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.291 -4.239 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.138 -3.791 -1.472 1.00 0.00 H new ATOM 1187 N VAL A 92 6.545 -2.504 -0.145 1.00 0.00 N ATOM 1188 CA VAL A 92 6.979 -1.119 -0.112 1.00 0.00 C ATOM 1189 C VAL A 92 8.417 -1.000 0.388 1.00 0.00 C ATOM 1190 O VAL A 92 8.986 -1.963 0.903 1.00 0.00 O ATOM 1191 CB VAL A 92 6.048 -0.290 0.794 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.591 -0.624 0.503 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.359 -0.533 2.257 1.00 0.00 C ATOM 0 H VAL A 92 6.357 -2.909 0.772 1.00 0.00 H new ATOM 0 HA VAL A 92 6.935 -0.733 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 92 6.217 0.765 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.945 -0.031 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.367 -0.397 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.416 -1.684 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.688 0.064 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.222 -1.589 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.391 -0.248 2.462 1.00 0.00 H new ATOM 1203 N ILE A 93 8.988 0.193 0.258 1.00 0.00 N ATOM 1204 CA ILE A 93 10.348 0.437 0.703 1.00 0.00 C ATOM 1205 C ILE A 93 10.561 1.912 1.028 1.00 0.00 C ATOM 1206 O ILE A 93 10.107 2.800 0.300 1.00 0.00 O ATOM 1207 CB ILE A 93 11.387 -0.010 -0.344 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.235 0.790 -1.634 1.00 0.00 C ATOM 1209 CG2 ILE A 93 11.251 -1.500 -0.621 1.00 0.00 C ATOM 1210 CD1 ILE A 93 12.260 0.430 -2.683 1.00 0.00 C ATOM 0 H ILE A 93 8.526 1.004 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 93 10.492 -0.157 1.605 1.00 0.00 H new ATOM 0 HB ILE A 93 12.382 0.180 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.237 0.626 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.316 1.853 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.991 -1.801 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.413 -2.058 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.251 -1.710 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.096 1.035 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.260 0.620 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.164 -0.625 -2.938 1.00 0.00 H new ATOM 1222 N VAL A 94 11.236 2.153 2.142 1.00 0.00 N ATOM 1223 CA VAL A 94 11.537 3.506 2.598 1.00 0.00 C ATOM 1224 C VAL A 94 13.043 3.688 2.775 1.00 0.00 C ATOM 1225 O VAL A 94 13.608 3.323 3.806 1.00 0.00 O ATOM 1226 CB VAL A 94 10.811 3.836 3.928 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.759 2.612 4.831 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.484 4.997 4.651 1.00 0.00 C ATOM 0 H VAL A 94 11.591 1.419 2.756 1.00 0.00 H new ATOM 0 HA VAL A 94 11.177 4.194 1.834 1.00 0.00 H new ATOM 0 HB VAL A 94 9.791 4.133 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.246 2.866 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.221 1.810 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.773 2.283 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.952 5.205 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.518 4.735 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.464 5.882 4.015 1.00 0.00 H new