USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 573 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 NoAdj-H: A 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 THR OG1 : rot 145:sc= 0.274 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.015) USER MOD Single : A 53 THR OG1 : rot -61:sc= 0.874 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.505 (180deg=0.0448) USER MOD Single : A 62 GLN : amide:sc= 0.335 K(o=0.33,f=-1.8) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.671 K(o=-0.67,f=-2.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -8.52! C(o=-8.5!,f=-13!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.395 K(o=-0.4,f=-4.7!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00138) USER MOD Single : A 101 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-3.8!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -16.253 -11.277 -12.073 1.00 0.00 N ATOM 2 CA GLY A 29 -15.005 -11.582 -11.398 1.00 0.00 C ATOM 3 C GLY A 29 -14.219 -12.673 -12.098 1.00 0.00 C ATOM 4 O GLY A 29 -14.763 -13.727 -12.427 1.00 0.00 O ATOM 0 HA2 GLY A 29 -14.396 -10.680 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.215 -11.890 -10.374 1.00 0.00 H new ATOM 8 N SER A 30 -12.934 -12.420 -12.328 1.00 0.00 N ATOM 9 CA SER A 30 -12.073 -13.386 -12.999 1.00 0.00 C ATOM 10 C SER A 30 -10.601 -13.065 -12.753 1.00 0.00 C ATOM 11 O SER A 30 -10.102 -12.025 -13.183 1.00 0.00 O ATOM 12 CB SER A 30 -12.359 -13.400 -14.501 1.00 0.00 C ATOM 13 OG SER A 30 -11.396 -14.172 -15.197 1.00 0.00 O ATOM 0 H SER A 30 -12.467 -11.554 -12.059 1.00 0.00 H new ATOM 0 HA SER A 30 -12.286 -14.372 -12.587 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.354 -13.806 -14.681 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.357 -12.380 -14.884 1.00 0.00 H new ATOM 0 HG SER A 30 -11.602 -14.166 -16.155 1.00 0.00 H new ATOM 19 N SER A 31 -9.913 -13.965 -12.059 1.00 0.00 N ATOM 20 CA SER A 31 -8.500 -13.777 -11.752 1.00 0.00 C ATOM 21 C SER A 31 -7.749 -13.230 -12.962 1.00 0.00 C ATOM 22 O SER A 31 -7.992 -13.644 -14.096 1.00 0.00 O ATOM 23 CB SER A 31 -7.874 -15.099 -11.303 1.00 0.00 C ATOM 24 OG SER A 31 -8.054 -15.302 -9.913 1.00 0.00 O ATOM 0 H SER A 31 -10.311 -14.832 -11.698 1.00 0.00 H new ATOM 0 HA SER A 31 -8.423 -13.053 -10.941 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.324 -15.924 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.810 -15.100 -11.539 1.00 0.00 H new ATOM 0 HG SER A 31 -7.647 -16.154 -9.651 1.00 0.00 H new ATOM 30 N GLY A 32 -6.836 -12.297 -12.713 1.00 0.00 N ATOM 31 CA GLY A 32 -6.063 -11.708 -13.790 1.00 0.00 C ATOM 32 C GLY A 32 -5.572 -10.313 -13.457 1.00 0.00 C ATOM 33 O GLY A 32 -5.902 -9.350 -14.148 1.00 0.00 O ATOM 0 H GLY A 32 -6.618 -11.938 -11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.208 -12.347 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.674 -11.669 -14.692 1.00 0.00 H new ATOM 37 N SER A 33 -4.782 -10.205 -12.393 1.00 0.00 N ATOM 38 CA SER A 33 -4.249 -8.917 -11.965 1.00 0.00 C ATOM 39 C SER A 33 -2.966 -9.100 -11.160 1.00 0.00 C ATOM 40 O SER A 33 -2.803 -10.092 -10.450 1.00 0.00 O ATOM 41 CB SER A 33 -5.286 -8.163 -11.130 1.00 0.00 C ATOM 42 OG SER A 33 -4.886 -6.822 -10.909 1.00 0.00 O ATOM 0 H SER A 33 -4.497 -10.994 -11.812 1.00 0.00 H new ATOM 0 HA SER A 33 -4.018 -8.334 -12.856 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.249 -8.179 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.423 -8.667 -10.173 1.00 0.00 H new ATOM 0 HG SER A 33 -5.566 -6.362 -10.375 1.00 0.00 H new ATOM 48 N SER A 34 -2.060 -8.135 -11.275 1.00 0.00 N ATOM 49 CA SER A 34 -0.789 -8.191 -10.561 1.00 0.00 C ATOM 50 C SER A 34 -0.761 -7.175 -9.423 1.00 0.00 C ATOM 51 O SER A 34 -1.338 -6.094 -9.527 1.00 0.00 O ATOM 52 CB SER A 34 0.372 -7.929 -11.523 1.00 0.00 C ATOM 53 OG SER A 34 0.695 -9.094 -12.261 1.00 0.00 O ATOM 0 H SER A 34 -2.182 -7.305 -11.855 1.00 0.00 H new ATOM 0 HA SER A 34 -0.682 -9.189 -10.137 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.107 -7.123 -12.207 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.245 -7.596 -10.962 1.00 0.00 H new ATOM 0 HG SER A 34 1.438 -8.900 -12.869 1.00 0.00 H new ATOM 59 N GLY A 35 -0.084 -7.533 -8.336 1.00 0.00 N ATOM 60 CA GLY A 35 0.008 -6.643 -7.193 1.00 0.00 C ATOM 61 C GLY A 35 -0.777 -7.149 -6.000 1.00 0.00 C ATOM 62 O GLY A 35 -1.431 -8.191 -6.074 1.00 0.00 O ATOM 0 H GLY A 35 0.402 -8.423 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.054 -6.525 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.360 -5.656 -7.474 1.00 0.00 H new ATOM 66 N HIS A 36 -0.712 -6.413 -4.895 1.00 0.00 N ATOM 67 CA HIS A 36 -1.422 -6.794 -3.679 1.00 0.00 C ATOM 68 C HIS A 36 -2.913 -6.969 -3.952 1.00 0.00 C ATOM 69 O HIS A 36 -3.388 -6.703 -5.057 1.00 0.00 O ATOM 70 CB HIS A 36 -1.211 -5.743 -2.589 1.00 0.00 C ATOM 71 CG HIS A 36 0.206 -5.651 -2.112 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.573 -5.856 -0.799 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.349 -5.375 -2.782 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.880 -5.709 -0.681 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.375 -5.417 -1.871 1.00 0.00 N ATOM 0 H HIS A 36 -0.175 -5.549 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.019 -7.747 -3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.522 -4.770 -2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.857 -5.975 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.437 -5.161 -3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.448 -5.810 0.232 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.360 -5.250 -2.079 1.00 0.00 H new ATOM 83 N LYS A 37 -3.647 -7.417 -2.939 1.00 0.00 N ATOM 84 CA LYS A 37 -5.084 -7.627 -3.069 1.00 0.00 C ATOM 85 C LYS A 37 -5.851 -6.348 -2.749 1.00 0.00 C ATOM 86 O LYS A 37 -6.437 -6.217 -1.674 1.00 0.00 O ATOM 87 CB LYS A 37 -5.541 -8.755 -2.141 1.00 0.00 C ATOM 88 CG LYS A 37 -5.222 -10.143 -2.668 1.00 0.00 C ATOM 89 CD LYS A 37 -3.756 -10.491 -2.472 1.00 0.00 C ATOM 90 CE LYS A 37 -3.417 -11.843 -3.081 1.00 0.00 C ATOM 91 NZ LYS A 37 -3.255 -11.761 -4.559 1.00 0.00 N ATOM 0 H LYS A 37 -3.270 -7.642 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.294 -7.907 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.068 -8.627 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.617 -8.673 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.843 -10.879 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.471 -10.197 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.134 -9.720 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.523 -10.502 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.497 -12.222 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.205 -12.557 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.025 -12.703 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.141 -11.424 -4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.486 -11.099 -4.788 1.00 0.00 H new ATOM 105 N PHE A 38 -5.845 -5.409 -3.689 1.00 0.00 N ATOM 106 CA PHE A 38 -6.542 -4.141 -3.506 1.00 0.00 C ATOM 107 C PHE A 38 -8.024 -4.282 -3.837 1.00 0.00 C ATOM 108 O PHE A 38 -8.391 -4.804 -4.891 1.00 0.00 O ATOM 109 CB PHE A 38 -5.912 -3.058 -4.386 1.00 0.00 C ATOM 110 CG PHE A 38 -4.596 -2.555 -3.867 1.00 0.00 C ATOM 111 CD1 PHE A 38 -4.485 -2.071 -2.573 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.469 -2.564 -4.673 1.00 0.00 C ATOM 113 CE1 PHE A 38 -3.275 -1.608 -2.092 1.00 0.00 C ATOM 114 CE2 PHE A 38 -2.256 -2.103 -4.197 1.00 0.00 C ATOM 115 CZ PHE A 38 -2.159 -1.622 -2.906 1.00 0.00 C ATOM 0 H PHE A 38 -5.366 -5.502 -4.585 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.448 -3.851 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.769 -3.455 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.605 -2.221 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.355 -2.056 -1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.539 -2.935 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.202 -1.236 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.384 -2.119 -4.834 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.213 -1.258 -2.534 1.00 0.00 H new ATOM 125 N THR A 39 -8.875 -3.813 -2.929 1.00 0.00 N ATOM 126 CA THR A 39 -10.317 -3.888 -3.122 1.00 0.00 C ATOM 127 C THR A 39 -10.981 -2.546 -2.834 1.00 0.00 C ATOM 128 O THR A 39 -11.066 -2.120 -1.683 1.00 0.00 O ATOM 129 CB THR A 39 -10.950 -4.965 -2.221 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.358 -5.044 -2.466 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.702 -4.655 -0.752 1.00 0.00 C ATOM 0 H THR A 39 -8.589 -3.377 -2.052 1.00 0.00 H new ATOM 0 HA THR A 39 -10.482 -4.156 -4.166 1.00 0.00 H new ATOM 0 HB THR A 39 -10.487 -5.923 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.752 -5.732 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.158 -5.429 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.629 -4.625 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.141 -3.688 -0.505 1.00 0.00 H new ATOM 139 N ALA A 40 -11.451 -1.885 -3.887 1.00 0.00 N ATOM 140 CA ALA A 40 -12.110 -0.593 -3.746 1.00 0.00 C ATOM 141 C ALA A 40 -13.070 -0.592 -2.561 1.00 0.00 C ATOM 142 O ALA A 40 -13.981 -1.417 -2.488 1.00 0.00 O ATOM 143 CB ALA A 40 -12.849 -0.234 -5.026 1.00 0.00 C ATOM 0 H ALA A 40 -11.387 -2.223 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.343 0.159 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.336 0.734 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.141 -0.183 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.600 -0.995 -5.238 1.00 0.00 H new ATOM 149 N ARG A 41 -12.858 0.337 -1.634 1.00 0.00 N ATOM 150 CA ARG A 41 -13.704 0.442 -0.451 1.00 0.00 C ATOM 151 C ARG A 41 -13.689 1.864 0.102 1.00 0.00 C ATOM 152 O ARG A 41 -12.631 2.480 0.232 1.00 0.00 O ATOM 153 CB ARG A 41 -13.238 -0.540 0.624 1.00 0.00 C ATOM 154 CG ARG A 41 -11.936 -0.136 1.296 1.00 0.00 C ATOM 155 CD ARG A 41 -11.623 -1.029 2.486 1.00 0.00 C ATOM 156 NE ARG A 41 -12.230 -0.532 3.718 1.00 0.00 N ATOM 157 CZ ARG A 41 -12.411 -1.279 4.802 1.00 0.00 C ATOM 158 NH1 ARG A 41 -12.033 -2.550 4.805 1.00 0.00 N ATOM 159 NH2 ARG A 41 -12.970 -0.755 5.885 1.00 0.00 N ATOM 0 H ARG A 41 -12.108 1.027 -1.679 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.725 0.194 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.015 -0.631 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.114 -1.525 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.121 -0.190 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.002 0.901 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.983 -2.038 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.543 -1.095 2.615 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.532 0.442 3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.602 -2.956 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.173 -3.122 5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.262 0.222 5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.108 -1.330 6.716 1.00 0.00 H new ATOM 173 N PHE A 42 -14.870 2.380 0.427 1.00 0.00 N ATOM 174 CA PHE A 42 -14.993 3.729 0.966 1.00 0.00 C ATOM 175 C PHE A 42 -14.329 3.831 2.336 1.00 0.00 C ATOM 176 O PHE A 42 -14.379 2.894 3.133 1.00 0.00 O ATOM 177 CB PHE A 42 -16.467 4.127 1.070 1.00 0.00 C ATOM 178 CG PHE A 42 -17.181 3.485 2.225 1.00 0.00 C ATOM 179 CD1 PHE A 42 -17.584 2.161 2.157 1.00 0.00 C ATOM 180 CD2 PHE A 42 -17.448 4.205 3.378 1.00 0.00 C ATOM 181 CE1 PHE A 42 -18.242 1.568 3.218 1.00 0.00 C ATOM 182 CE2 PHE A 42 -18.105 3.617 4.442 1.00 0.00 C ATOM 183 CZ PHE A 42 -18.502 2.297 4.362 1.00 0.00 C ATOM 0 H PHE A 42 -15.756 1.884 0.326 1.00 0.00 H new ATOM 0 HA PHE A 42 -14.486 4.413 0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.537 5.210 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.974 3.857 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.382 1.586 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.139 5.238 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.553 0.536 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -18.308 4.189 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.015 1.835 5.193 1.00 0.00 H new ATOM 193 N PHE A 43 -13.707 4.975 2.602 1.00 0.00 N ATOM 194 CA PHE A 43 -13.031 5.199 3.874 1.00 0.00 C ATOM 195 C PHE A 43 -13.673 6.356 4.634 1.00 0.00 C ATOM 196 O PHE A 43 -13.773 7.471 4.121 1.00 0.00 O ATOM 197 CB PHE A 43 -11.546 5.487 3.643 1.00 0.00 C ATOM 198 CG PHE A 43 -10.725 4.251 3.408 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.757 3.201 4.311 1.00 0.00 C ATOM 200 CD2 PHE A 43 -9.921 4.141 2.285 1.00 0.00 C ATOM 201 CE1 PHE A 43 -10.003 2.062 4.098 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.166 3.004 2.066 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.206 1.964 2.974 1.00 0.00 C ATOM 0 H PHE A 43 -13.657 5.761 1.954 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.129 4.294 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.442 6.151 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.148 6.019 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.378 3.273 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.884 4.952 1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.037 1.250 4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.545 2.929 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.615 1.076 2.806 1.00 0.00 H new ATOM 213 N LYS A 44 -14.106 6.083 5.860 1.00 0.00 N ATOM 214 CA LYS A 44 -14.738 7.100 6.693 1.00 0.00 C ATOM 215 C LYS A 44 -13.690 7.984 7.361 1.00 0.00 C ATOM 216 O LYS A 44 -13.863 9.198 7.461 1.00 0.00 O ATOM 217 CB LYS A 44 -15.618 6.441 7.757 1.00 0.00 C ATOM 218 CG LYS A 44 -14.852 5.535 8.705 1.00 0.00 C ATOM 219 CD LYS A 44 -15.733 5.043 9.841 1.00 0.00 C ATOM 220 CE LYS A 44 -14.904 4.478 10.985 1.00 0.00 C ATOM 221 NZ LYS A 44 -15.651 3.444 11.753 1.00 0.00 N ATOM 0 H LYS A 44 -14.031 5.166 6.299 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.360 7.725 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.118 7.218 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.397 5.860 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.457 4.681 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.997 6.074 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.349 5.865 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.413 4.276 9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.986 4.044 10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.611 5.286 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.052 3.084 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.514 3.865 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.909 2.660 11.120 1.00 0.00 H new ATOM 235 N GLN A 45 -12.603 7.367 7.814 1.00 0.00 N ATOM 236 CA GLN A 45 -11.528 8.100 8.472 1.00 0.00 C ATOM 237 C GLN A 45 -10.439 8.480 7.474 1.00 0.00 C ATOM 238 O GLN A 45 -10.289 7.865 6.418 1.00 0.00 O ATOM 239 CB GLN A 45 -10.929 7.263 9.604 1.00 0.00 C ATOM 240 CG GLN A 45 -11.819 7.179 10.834 1.00 0.00 C ATOM 241 CD GLN A 45 -11.040 6.870 12.097 1.00 0.00 C ATOM 242 OE1 GLN A 45 -10.084 7.567 12.437 1.00 0.00 O ATOM 243 NE2 GLN A 45 -11.446 5.820 12.801 1.00 0.00 N ATOM 0 H GLN A 45 -12.444 6.362 7.737 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.949 9.015 8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.735 6.255 9.236 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.967 7.689 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.348 8.123 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.574 6.408 10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.244 5.270 12.482 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.960 5.564 13.661 1.00 0.00 H new ATOM 252 N PRO A 46 -9.659 9.517 7.814 1.00 0.00 N ATOM 253 CA PRO A 46 -8.570 10.002 6.961 1.00 0.00 C ATOM 254 C PRO A 46 -7.404 9.021 6.896 1.00 0.00 C ATOM 255 O PRO A 46 -6.438 9.138 7.651 1.00 0.00 O ATOM 256 CB PRO A 46 -8.138 11.302 7.644 1.00 0.00 C ATOM 257 CG PRO A 46 -8.530 11.130 9.070 1.00 0.00 C ATOM 258 CD PRO A 46 -9.781 10.296 9.058 1.00 0.00 C ATOM 0 HA PRO A 46 -8.889 10.133 5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.064 11.463 7.545 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.632 12.166 7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.739 10.638 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.709 12.095 9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.841 9.649 9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.677 10.916 9.058 1.00 0.00 H new ATOM 266 N THR A 47 -7.500 8.054 5.989 1.00 0.00 N ATOM 267 CA THR A 47 -6.454 7.053 5.826 1.00 0.00 C ATOM 268 C THR A 47 -5.193 7.668 5.231 1.00 0.00 C ATOM 269 O THR A 47 -5.263 8.583 4.411 1.00 0.00 O ATOM 270 CB THR A 47 -6.921 5.894 4.924 1.00 0.00 C ATOM 271 OG1 THR A 47 -8.207 5.430 5.350 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.925 4.746 4.959 1.00 0.00 C ATOM 0 H THR A 47 -8.292 7.943 5.356 1.00 0.00 H new ATOM 0 HA THR A 47 -6.231 6.664 6.819 1.00 0.00 H new ATOM 0 HB THR A 47 -6.989 6.264 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.731 5.155 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.276 3.940 4.315 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.955 5.095 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.829 4.378 5.981 1.00 0.00 H new ATOM 280 N PHE A 48 -4.038 7.158 5.648 1.00 0.00 N ATOM 281 CA PHE A 48 -2.760 7.658 5.156 1.00 0.00 C ATOM 282 C PHE A 48 -2.147 6.687 4.151 1.00 0.00 C ATOM 283 O PHE A 48 -2.330 5.474 4.251 1.00 0.00 O ATOM 284 CB PHE A 48 -1.793 7.881 6.321 1.00 0.00 C ATOM 285 CG PHE A 48 -0.643 8.784 5.981 1.00 0.00 C ATOM 286 CD1 PHE A 48 -0.861 10.114 5.658 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.657 8.304 5.984 1.00 0.00 C ATOM 288 CE1 PHE A 48 0.196 10.947 5.343 1.00 0.00 C ATOM 289 CE2 PHE A 48 1.718 9.133 5.671 1.00 0.00 C ATOM 290 CZ PHE A 48 1.487 10.456 5.351 1.00 0.00 C ATOM 0 H PHE A 48 -3.962 6.399 6.325 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.939 8.609 4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.342 8.306 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.403 6.917 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.868 10.504 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.843 7.270 6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.013 11.981 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.726 8.746 5.677 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.314 11.106 5.107 1.00 0.00 H new ATOM 300 N CYS A 49 -1.419 7.231 3.182 1.00 0.00 N ATOM 301 CA CYS A 49 -0.779 6.415 2.156 1.00 0.00 C ATOM 302 C CYS A 49 0.618 5.985 2.596 1.00 0.00 C ATOM 303 O CYS A 49 1.530 6.806 2.690 1.00 0.00 O ATOM 304 CB CYS A 49 -0.695 7.189 0.839 1.00 0.00 C ATOM 305 SG CYS A 49 -0.196 6.173 -0.589 1.00 0.00 S ATOM 0 H CYS A 49 -1.257 8.233 3.085 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.385 5.521 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.666 7.637 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.016 8.007 0.955 1.00 0.00 H new ATOM 310 N SER A 50 0.776 4.693 2.864 1.00 0.00 N ATOM 311 CA SER A 50 2.060 4.154 3.298 1.00 0.00 C ATOM 312 C SER A 50 2.993 3.950 2.108 1.00 0.00 C ATOM 313 O SER A 50 3.741 2.973 2.051 1.00 0.00 O ATOM 314 CB SER A 50 1.858 2.829 4.035 1.00 0.00 C ATOM 315 OG SER A 50 1.470 3.048 5.380 1.00 0.00 O ATOM 0 H SER A 50 0.031 4.000 2.788 1.00 0.00 H new ATOM 0 HA SER A 50 2.517 4.873 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.097 2.238 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.781 2.250 4.009 1.00 0.00 H new ATOM 0 HG SER A 50 1.345 2.186 5.829 1.00 0.00 H new ATOM 321 N HIS A 51 2.943 4.880 1.159 1.00 0.00 N ATOM 322 CA HIS A 51 3.784 4.803 -0.031 1.00 0.00 C ATOM 323 C HIS A 51 4.450 6.147 -0.312 1.00 0.00 C ATOM 324 O HIS A 51 5.668 6.225 -0.478 1.00 0.00 O ATOM 325 CB HIS A 51 2.955 4.368 -1.240 1.00 0.00 C ATOM 326 CG HIS A 51 3.718 4.394 -2.529 1.00 0.00 C ATOM 327 ND1 HIS A 51 4.272 3.266 -3.098 1.00 0.00 N ATOM 328 CD2 HIS A 51 4.015 5.418 -3.361 1.00 0.00 C ATOM 329 CE1 HIS A 51 4.879 3.597 -4.223 1.00 0.00 C ATOM 330 NE2 HIS A 51 4.737 4.897 -4.407 1.00 0.00 N ATOM 0 H HIS A 51 2.330 5.695 1.191 1.00 0.00 H new ATOM 0 HA HIS A 51 4.563 4.062 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.580 3.359 -1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.086 5.020 -1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.736 6.453 -3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.403 2.919 -4.881 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.104 5.428 -5.197 1.00 0.00 H new ATOM 338 N CYS A 52 3.644 7.202 -0.366 1.00 0.00 N ATOM 339 CA CYS A 52 4.154 8.542 -0.628 1.00 0.00 C ATOM 340 C CYS A 52 3.997 9.434 0.600 1.00 0.00 C ATOM 341 O CYS A 52 3.948 10.660 0.489 1.00 0.00 O ATOM 342 CB CYS A 52 3.424 9.163 -1.821 1.00 0.00 C ATOM 343 SG CYS A 52 1.613 9.216 -1.639 1.00 0.00 S ATOM 0 H CYS A 52 2.634 7.154 -0.232 1.00 0.00 H new ATOM 0 HA CYS A 52 5.216 8.461 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.793 10.178 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.672 8.598 -2.719 1.00 0.00 H new ATOM 348 N THR A 53 3.919 8.811 1.771 1.00 0.00 N ATOM 349 CA THR A 53 3.766 9.547 3.020 1.00 0.00 C ATOM 350 C THR A 53 2.840 10.745 2.842 1.00 0.00 C ATOM 351 O THR A 53 3.170 11.861 3.243 1.00 0.00 O ATOM 352 CB THR A 53 5.126 10.037 3.552 1.00 0.00 C ATOM 353 OG1 THR A 53 4.944 10.740 4.787 1.00 0.00 O ATOM 354 CG2 THR A 53 5.806 10.947 2.541 1.00 0.00 C ATOM 0 H THR A 53 3.959 7.798 1.881 1.00 0.00 H new ATOM 0 HA THR A 53 3.328 8.858 3.742 1.00 0.00 H new ATOM 0 HB THR A 53 5.761 9.167 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.366 11.517 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.765 11.281 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.969 10.401 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.173 11.813 2.347 1.00 0.00 H new ATOM 362 N ASP A 54 1.680 10.506 2.240 1.00 0.00 N ATOM 363 CA ASP A 54 0.705 11.566 2.012 1.00 0.00 C ATOM 364 C ASP A 54 -0.682 11.139 2.482 1.00 0.00 C ATOM 365 O ASP A 54 -0.944 9.952 2.679 1.00 0.00 O ATOM 366 CB ASP A 54 0.663 11.937 0.528 1.00 0.00 C ATOM 367 CG ASP A 54 1.716 12.963 0.158 1.00 0.00 C ATOM 368 OD1 ASP A 54 2.173 13.696 1.060 1.00 0.00 O ATOM 369 OD2 ASP A 54 2.084 13.032 -1.034 1.00 0.00 O ATOM 0 H ASP A 54 1.392 9.588 1.901 1.00 0.00 H new ATOM 0 HA ASP A 54 1.011 12.439 2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.808 11.039 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.324 12.329 0.282 1.00 0.00 H new ATOM 374 N PHE A 55 -1.567 12.114 2.660 1.00 0.00 N ATOM 375 CA PHE A 55 -2.927 11.840 3.109 1.00 0.00 C ATOM 376 C PHE A 55 -3.823 11.464 1.933 1.00 0.00 C ATOM 377 O PHE A 55 -3.564 11.853 0.793 1.00 0.00 O ATOM 378 CB PHE A 55 -3.502 13.058 3.835 1.00 0.00 C ATOM 379 CG PHE A 55 -3.490 14.310 3.007 1.00 0.00 C ATOM 380 CD1 PHE A 55 -2.340 15.077 2.903 1.00 0.00 C ATOM 381 CD2 PHE A 55 -4.627 14.721 2.331 1.00 0.00 C ATOM 382 CE1 PHE A 55 -2.326 16.230 2.142 1.00 0.00 C ATOM 383 CE2 PHE A 55 -4.620 15.874 1.568 1.00 0.00 C ATOM 384 CZ PHE A 55 -3.467 16.629 1.473 1.00 0.00 C ATOM 0 H PHE A 55 -1.367 13.101 2.500 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.892 10.997 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.527 12.841 4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.931 13.230 4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.445 14.770 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.530 14.133 2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.424 16.819 2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.514 16.184 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.458 17.530 0.877 1.00 0.00 H new ATOM 394 N ILE A 56 -4.877 10.707 2.217 1.00 0.00 N ATOM 395 CA ILE A 56 -5.811 10.280 1.184 1.00 0.00 C ATOM 396 C ILE A 56 -7.107 11.081 1.249 1.00 0.00 C ATOM 397 O ILE A 56 -7.630 11.520 0.225 1.00 0.00 O ATOM 398 CB ILE A 56 -6.141 8.780 1.308 1.00 0.00 C ATOM 399 CG1 ILE A 56 -4.876 7.941 1.117 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.203 8.386 0.293 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.911 6.620 1.853 1.00 0.00 C ATOM 0 H ILE A 56 -5.105 10.377 3.155 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.324 10.459 0.225 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.533 8.590 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.733 7.751 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.014 8.515 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.425 7.324 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.109 8.965 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.836 8.587 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.983 6.078 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.023 6.802 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.753 6.027 1.496 1.00 0.00 H new ATOM 413 N TRP A 57 -7.620 11.268 2.460 1.00 0.00 N ATOM 414 CA TRP A 57 -8.854 12.018 2.659 1.00 0.00 C ATOM 415 C TRP A 57 -8.729 13.432 2.102 1.00 0.00 C ATOM 416 O TRP A 57 -7.722 14.106 2.315 1.00 0.00 O ATOM 417 CB TRP A 57 -9.207 12.073 4.147 1.00 0.00 C ATOM 418 CG TRP A 57 -10.041 13.263 4.516 1.00 0.00 C ATOM 419 CD1 TRP A 57 -9.676 14.576 4.436 1.00 0.00 C ATOM 420 CD2 TRP A 57 -11.379 13.246 5.025 1.00 0.00 C ATOM 421 NE1 TRP A 57 -10.707 15.377 4.864 1.00 0.00 N ATOM 422 CE2 TRP A 57 -11.763 14.586 5.230 1.00 0.00 C ATOM 423 CE3 TRP A 57 -12.291 12.231 5.325 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -13.019 14.933 5.723 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -13.536 12.577 5.814 1.00 0.00 C ATOM 426 CH2 TRP A 57 -13.891 13.918 6.008 1.00 0.00 C ATOM 0 H TRP A 57 -7.200 10.911 3.318 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.651 11.505 2.121 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.743 11.164 4.420 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.287 12.088 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.718 14.933 4.088 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -10.689 16.396 4.903 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.027 11.194 5.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.294 15.966 5.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.248 11.800 6.051 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -14.873 14.156 6.390 1.00 0.00 H new ATOM 437 N GLY A 58 -9.758 13.875 1.386 1.00 0.00 N ATOM 438 CA GLY A 58 -9.741 15.206 0.809 1.00 0.00 C ATOM 439 C GLY A 58 -10.408 15.257 -0.551 1.00 0.00 C ATOM 440 O GLY A 58 -11.619 15.064 -0.664 1.00 0.00 O ATOM 0 H GLY A 58 -10.603 13.336 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.245 15.898 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.709 15.546 0.717 1.00 0.00 H new ATOM 444 N ILE A 59 -9.617 15.519 -1.586 1.00 0.00 N ATOM 445 CA ILE A 59 -10.139 15.596 -2.945 1.00 0.00 C ATOM 446 C ILE A 59 -10.660 14.240 -3.411 1.00 0.00 C ATOM 447 O ILE A 59 -9.991 13.530 -4.159 1.00 0.00 O ATOM 448 CB ILE A 59 -9.065 16.087 -3.934 1.00 0.00 C ATOM 449 CG1 ILE A 59 -9.578 15.983 -5.372 1.00 0.00 C ATOM 450 CG2 ILE A 59 -7.783 15.287 -3.764 1.00 0.00 C ATOM 451 CD1 ILE A 59 -8.843 16.880 -6.342 1.00 0.00 C ATOM 0 H ILE A 59 -8.613 15.681 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 59 -10.960 16.313 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.848 17.134 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.489 14.950 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -10.639 16.234 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.034 15.646 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.411 15.408 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.984 14.233 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.260 16.754 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.953 17.919 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.786 16.615 -6.353 1.00 0.00 H new ATOM 463 N GLY A 60 -11.862 13.889 -2.963 1.00 0.00 N ATOM 464 CA GLY A 60 -12.454 12.620 -3.346 1.00 0.00 C ATOM 465 C GLY A 60 -11.821 11.445 -2.628 1.00 0.00 C ATOM 466 O GLY A 60 -10.800 10.916 -3.067 1.00 0.00 O ATOM 0 H GLY A 60 -12.436 14.460 -2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.522 12.641 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.349 12.484 -4.422 1.00 0.00 H new ATOM 470 N LYS A 61 -12.427 11.035 -1.518 1.00 0.00 N ATOM 471 CA LYS A 61 -11.917 9.916 -0.736 1.00 0.00 C ATOM 472 C LYS A 61 -11.818 8.656 -1.590 1.00 0.00 C ATOM 473 O LYS A 61 -12.832 8.096 -2.004 1.00 0.00 O ATOM 474 CB LYS A 61 -12.821 9.657 0.471 1.00 0.00 C ATOM 475 CG LYS A 61 -12.786 10.767 1.507 1.00 0.00 C ATOM 476 CD LYS A 61 -13.554 10.385 2.761 1.00 0.00 C ATOM 477 CE LYS A 61 -15.055 10.519 2.557 1.00 0.00 C ATOM 478 NZ LYS A 61 -15.821 9.620 3.464 1.00 0.00 N ATOM 0 H LYS A 61 -13.273 11.462 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.918 10.175 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.846 9.527 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.523 8.721 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.751 10.990 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.211 11.676 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.313 9.359 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.240 11.020 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.354 11.552 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.303 10.287 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.662 9.262 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.220 8.820 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.116 10.149 4.309 1.00 0.00 H new ATOM 492 N GLN A 62 -10.590 8.216 -1.847 1.00 0.00 N ATOM 493 CA GLN A 62 -10.361 7.021 -2.651 1.00 0.00 C ATOM 494 C GLN A 62 -9.090 6.302 -2.208 1.00 0.00 C ATOM 495 O GLN A 62 -7.984 6.809 -2.387 1.00 0.00 O ATOM 496 CB GLN A 62 -10.262 7.389 -4.133 1.00 0.00 C ATOM 497 CG GLN A 62 -11.531 8.015 -4.690 1.00 0.00 C ATOM 498 CD GLN A 62 -12.567 6.981 -5.083 1.00 0.00 C ATOM 499 OE1 GLN A 62 -12.723 6.657 -6.261 1.00 0.00 O ATOM 500 NE2 GLN A 62 -13.284 6.456 -4.096 1.00 0.00 N ATOM 0 H GLN A 62 -9.740 8.668 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.207 6.349 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.433 8.083 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.027 6.492 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.958 8.686 -3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.281 8.622 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.122 6.753 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.997 5.756 -4.300 1.00 0.00 H new ATOM 509 N GLY A 63 -9.258 5.118 -1.627 1.00 0.00 N ATOM 510 CA GLY A 63 -8.116 4.349 -1.167 1.00 0.00 C ATOM 511 C GLY A 63 -8.346 2.854 -1.266 1.00 0.00 C ATOM 512 O GLY A 63 -9.472 2.380 -1.109 1.00 0.00 O ATOM 0 H GLY A 63 -10.164 4.678 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.239 4.618 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.898 4.612 -0.132 1.00 0.00 H new ATOM 516 N LEU A 64 -7.278 2.110 -1.530 1.00 0.00 N ATOM 517 CA LEU A 64 -7.368 0.659 -1.652 1.00 0.00 C ATOM 518 C LEU A 64 -6.506 -0.031 -0.600 1.00 0.00 C ATOM 519 O LEU A 64 -5.278 0.051 -0.639 1.00 0.00 O ATOM 520 CB LEU A 64 -6.935 0.218 -3.052 1.00 0.00 C ATOM 521 CG LEU A 64 -7.616 0.931 -4.221 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.880 0.646 -5.521 1.00 0.00 C ATOM 523 CD2 LEU A 64 -9.074 0.508 -4.327 1.00 0.00 C ATOM 0 H LEU A 64 -6.340 2.487 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.406 0.369 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.859 0.365 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.120 -0.852 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.583 2.005 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.379 1.161 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.852 0.999 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.881 -0.427 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.543 1.025 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.130 -0.569 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.595 0.764 -3.405 1.00 0.00 H new ATOM 535 N GLN A 65 -7.157 -0.711 0.338 1.00 0.00 N ATOM 536 CA GLN A 65 -6.449 -1.416 1.400 1.00 0.00 C ATOM 537 C GLN A 65 -6.268 -2.889 1.048 1.00 0.00 C ATOM 538 O GLN A 65 -7.183 -3.533 0.533 1.00 0.00 O ATOM 539 CB GLN A 65 -7.207 -1.284 2.722 1.00 0.00 C ATOM 540 CG GLN A 65 -6.663 -2.176 3.827 1.00 0.00 C ATOM 541 CD GLN A 65 -7.021 -1.674 5.211 1.00 0.00 C ATOM 542 OE1 GLN A 65 -8.161 -1.812 5.658 1.00 0.00 O ATOM 543 NE2 GLN A 65 -6.048 -1.088 5.899 1.00 0.00 N ATOM 0 H GLN A 65 -8.173 -0.789 0.384 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.463 -0.963 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.167 -0.246 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.257 -1.526 2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.053 -3.186 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.579 -2.239 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.118 -0.995 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.230 -0.731 6.837 1.00 0.00 H new ATOM 552 N CYS A 66 -5.082 -3.418 1.329 1.00 0.00 N ATOM 553 CA CYS A 66 -4.780 -4.815 1.043 1.00 0.00 C ATOM 554 C CYS A 66 -5.336 -5.727 2.132 1.00 0.00 C ATOM 555 O CYS A 66 -5.193 -5.447 3.322 1.00 0.00 O ATOM 556 CB CYS A 66 -3.268 -5.016 0.917 1.00 0.00 C ATOM 557 SG CYS A 66 -2.773 -6.736 0.577 1.00 0.00 S ATOM 0 H CYS A 66 -4.314 -2.900 1.755 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.255 -5.077 0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.892 -4.376 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.790 -4.687 1.840 1.00 0.00 H new ATOM 562 N GLN A 67 -5.971 -6.818 1.716 1.00 0.00 N ATOM 563 CA GLN A 67 -6.549 -7.770 2.657 1.00 0.00 C ATOM 564 C GLN A 67 -5.492 -8.746 3.162 1.00 0.00 C ATOM 565 O GLN A 67 -5.810 -9.860 3.580 1.00 0.00 O ATOM 566 CB GLN A 67 -7.696 -8.538 1.997 1.00 0.00 C ATOM 567 CG GLN A 67 -8.794 -7.641 1.449 1.00 0.00 C ATOM 568 CD GLN A 67 -9.488 -6.839 2.532 1.00 0.00 C ATOM 569 OE1 GLN A 67 -8.872 -5.999 3.189 1.00 0.00 O ATOM 570 NE2 GLN A 67 -10.776 -7.095 2.725 1.00 0.00 N ATOM 0 H GLN A 67 -6.098 -7.064 0.734 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.937 -7.211 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.296 -9.145 1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.129 -9.224 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.367 -6.959 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.530 -8.252 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.247 -7.800 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.295 -6.587 3.441 1.00 0.00 H new ATOM 579 N VAL A 68 -4.233 -8.321 3.122 1.00 0.00 N ATOM 580 CA VAL A 68 -3.129 -9.157 3.576 1.00 0.00 C ATOM 581 C VAL A 68 -2.229 -8.400 4.546 1.00 0.00 C ATOM 582 O VAL A 68 -2.047 -8.812 5.692 1.00 0.00 O ATOM 583 CB VAL A 68 -2.281 -9.660 2.392 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.214 -10.630 2.874 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.168 -10.309 1.340 1.00 0.00 C ATOM 0 H VAL A 68 -3.953 -7.402 2.780 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.570 -10.013 4.087 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.781 -8.805 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.625 -10.975 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.561 -10.128 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.690 -11.484 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.553 -10.659 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.697 -11.154 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.891 -9.580 0.973 1.00 0.00 H new ATOM 595 N CYS A 69 -1.668 -7.289 4.079 1.00 0.00 N ATOM 596 CA CYS A 69 -0.787 -6.473 4.905 1.00 0.00 C ATOM 597 C CYS A 69 -1.422 -5.118 5.204 1.00 0.00 C ATOM 598 O CYS A 69 -0.725 -4.121 5.391 1.00 0.00 O ATOM 599 CB CYS A 69 0.560 -6.273 4.206 1.00 0.00 C ATOM 600 SG CYS A 69 0.429 -5.613 2.513 1.00 0.00 S ATOM 0 H CYS A 69 -1.808 -6.934 3.133 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.627 -6.996 5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.170 -5.594 4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.085 -7.228 4.173 1.00 0.00 H new ATOM 605 N SER A 70 -2.750 -5.091 5.248 1.00 0.00 N ATOM 606 CA SER A 70 -3.481 -3.859 5.521 1.00 0.00 C ATOM 607 C SER A 70 -2.753 -2.654 4.933 1.00 0.00 C ATOM 608 O SER A 70 -2.733 -1.575 5.527 1.00 0.00 O ATOM 609 CB SER A 70 -3.664 -3.673 7.029 1.00 0.00 C ATOM 610 OG SER A 70 -4.235 -4.827 7.619 1.00 0.00 O ATOM 0 H SER A 70 -3.342 -5.908 5.098 1.00 0.00 H new ATOM 0 HA SER A 70 -4.461 -3.935 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.700 -3.463 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.303 -2.810 7.217 1.00 0.00 H new ATOM 0 HG SER A 70 -4.340 -4.684 8.583 1.00 0.00 H new ATOM 616 N PHE A 71 -2.156 -2.845 3.762 1.00 0.00 N ATOM 617 CA PHE A 71 -1.425 -1.775 3.092 1.00 0.00 C ATOM 618 C PHE A 71 -2.354 -0.957 2.201 1.00 0.00 C ATOM 619 O PHE A 71 -2.734 -1.394 1.114 1.00 0.00 O ATOM 620 CB PHE A 71 -0.280 -2.355 2.258 1.00 0.00 C ATOM 621 CG PHE A 71 0.690 -1.318 1.770 1.00 0.00 C ATOM 622 CD1 PHE A 71 1.589 -0.725 2.642 1.00 0.00 C ATOM 623 CD2 PHE A 71 0.704 -0.936 0.438 1.00 0.00 C ATOM 624 CE1 PHE A 71 2.482 0.230 2.195 1.00 0.00 C ATOM 625 CE2 PHE A 71 1.595 0.018 -0.015 1.00 0.00 C ATOM 626 CZ PHE A 71 2.486 0.601 0.865 1.00 0.00 C ATOM 0 H PHE A 71 -2.164 -3.731 3.257 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.012 -1.117 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.258 -3.091 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.697 -2.883 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.592 -1.013 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.010 -1.389 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.176 0.686 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.595 0.307 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.185 1.346 0.513 1.00 0.00 H new ATOM 636 N VAL A 72 -2.718 0.233 2.669 1.00 0.00 N ATOM 637 CA VAL A 72 -3.602 1.114 1.915 1.00 0.00 C ATOM 638 C VAL A 72 -2.824 2.259 1.277 1.00 0.00 C ATOM 639 O VAL A 72 -2.019 2.919 1.935 1.00 0.00 O ATOM 640 CB VAL A 72 -4.710 1.697 2.812 1.00 0.00 C ATOM 641 CG1 VAL A 72 -4.106 2.503 3.951 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.665 2.551 1.991 1.00 0.00 C ATOM 0 H VAL A 72 -2.414 0.609 3.567 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.059 0.509 1.132 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.276 0.872 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.904 2.907 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.466 1.858 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.514 3.322 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.442 2.955 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.115 3.371 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.124 1.939 1.214 1.00 0.00 H new ATOM 652 N VAL A 73 -3.070 2.490 -0.008 1.00 0.00 N ATOM 653 CA VAL A 73 -2.393 3.557 -0.736 1.00 0.00 C ATOM 654 C VAL A 73 -3.256 4.073 -1.882 1.00 0.00 C ATOM 655 O VAL A 73 -4.072 3.338 -2.439 1.00 0.00 O ATOM 656 CB VAL A 73 -1.040 3.083 -1.299 1.00 0.00 C ATOM 657 CG1 VAL A 73 -0.114 2.653 -0.172 1.00 0.00 C ATOM 658 CG2 VAL A 73 -1.246 1.949 -2.293 1.00 0.00 C ATOM 0 H VAL A 73 -3.733 1.953 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.218 4.364 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.572 3.916 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.837 2.321 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.058 3.495 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.572 1.834 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.280 1.626 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.735 1.112 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.871 2.296 -3.116 1.00 0.00 H new ATOM 668 N HIS A 74 -3.069 5.342 -2.231 1.00 0.00 N ATOM 669 CA HIS A 74 -3.830 5.957 -3.313 1.00 0.00 C ATOM 670 C HIS A 74 -3.974 4.997 -4.490 1.00 0.00 C ATOM 671 O HIS A 74 -3.257 4.000 -4.582 1.00 0.00 O ATOM 672 CB HIS A 74 -3.151 7.248 -3.773 1.00 0.00 C ATOM 673 CG HIS A 74 -2.844 8.194 -2.653 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.567 8.622 -2.358 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.658 8.798 -1.756 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.608 9.446 -1.327 1.00 0.00 C ATOM 677 NE2 HIS A 74 -2.866 9.570 -0.943 1.00 0.00 N ATOM 0 H HIS A 74 -2.398 5.964 -1.781 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.825 6.193 -2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.225 6.998 -4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.794 7.750 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.731 8.692 -1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.758 9.935 -0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.195 10.146 -0.168 1.00 0.00 H new ATOM 685 N ARG A 75 -4.904 5.304 -5.388 1.00 0.00 N ATOM 686 CA ARG A 75 -5.143 4.468 -6.558 1.00 0.00 C ATOM 687 C ARG A 75 -3.911 4.425 -7.456 1.00 0.00 C ATOM 688 O ARG A 75 -3.454 3.352 -7.850 1.00 0.00 O ATOM 689 CB ARG A 75 -6.345 4.989 -7.347 1.00 0.00 C ATOM 690 CG ARG A 75 -7.670 4.388 -6.907 1.00 0.00 C ATOM 691 CD ARG A 75 -8.324 5.221 -5.815 1.00 0.00 C ATOM 692 NE ARG A 75 -9.170 4.411 -4.942 1.00 0.00 N ATOM 693 CZ ARG A 75 -10.436 4.117 -5.213 1.00 0.00 C ATOM 694 NH1 ARG A 75 -11.000 4.563 -6.327 1.00 0.00 N ATOM 695 NH2 ARG A 75 -11.141 3.374 -4.369 1.00 0.00 N ATOM 0 H ARG A 75 -5.505 6.126 -5.328 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.355 3.456 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.395 6.073 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.193 4.777 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.341 4.317 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.508 3.373 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.552 5.710 -5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.923 6.010 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.766 4.052 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.461 5.134 -6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.973 4.335 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.710 3.028 -3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.114 3.149 -4.578 1.00 0.00 H new ATOM 709 N ARG A 76 -3.378 5.599 -7.777 1.00 0.00 N ATOM 710 CA ARG A 76 -2.199 5.696 -8.630 1.00 0.00 C ATOM 711 C ARG A 76 -1.001 5.008 -7.983 1.00 0.00 C ATOM 712 O ARG A 76 -0.143 4.455 -8.672 1.00 0.00 O ATOM 713 CB ARG A 76 -1.867 7.163 -8.913 1.00 0.00 C ATOM 714 CG ARG A 76 -1.476 7.948 -7.671 1.00 0.00 C ATOM 715 CD ARG A 76 -0.992 9.345 -8.026 1.00 0.00 C ATOM 716 NE ARG A 76 -2.100 10.255 -8.303 1.00 0.00 N ATOM 717 CZ ARG A 76 -2.067 11.556 -8.036 1.00 0.00 C ATOM 718 NH1 ARG A 76 -0.988 12.097 -7.488 1.00 0.00 N ATOM 719 NH2 ARG A 76 -3.116 12.319 -8.317 1.00 0.00 N ATOM 0 H ARG A 76 -3.744 6.497 -7.459 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.420 5.192 -9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.051 7.210 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.730 7.639 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.331 8.018 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.691 7.415 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.395 9.741 -7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.340 9.292 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.946 9.871 -8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.180 11.514 -7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.966 13.096 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.948 11.907 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.090 13.318 -8.112 1.00 0.00 H new ATOM 733 N CYS A 77 -0.950 5.045 -6.656 1.00 0.00 N ATOM 734 CA CYS A 77 0.143 4.426 -5.915 1.00 0.00 C ATOM 735 C CYS A 77 0.079 2.905 -6.022 1.00 0.00 C ATOM 736 O CYS A 77 1.099 2.242 -6.213 1.00 0.00 O ATOM 737 CB CYS A 77 0.093 4.847 -4.445 1.00 0.00 C ATOM 738 SG CYS A 77 0.796 6.496 -4.120 1.00 0.00 S ATOM 0 H CYS A 77 -1.653 5.497 -6.071 1.00 0.00 H new ATOM 0 HA CYS A 77 1.083 4.765 -6.351 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.944 4.833 -4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.631 4.110 -3.849 1.00 0.00 H new ATOM 743 N HIS A 78 -1.126 2.358 -5.898 1.00 0.00 N ATOM 744 CA HIS A 78 -1.323 0.915 -5.982 1.00 0.00 C ATOM 745 C HIS A 78 -0.392 0.299 -7.021 1.00 0.00 C ATOM 746 O HIS A 78 0.514 -0.462 -6.681 1.00 0.00 O ATOM 747 CB HIS A 78 -2.778 0.598 -6.331 1.00 0.00 C ATOM 748 CG HIS A 78 -2.944 -0.674 -7.104 1.00 0.00 C ATOM 749 ND1 HIS A 78 -2.075 -1.740 -6.995 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.886 -1.049 -8.001 1.00 0.00 C ATOM 751 CE1 HIS A 78 -2.476 -2.714 -7.793 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.572 -2.320 -8.414 1.00 0.00 N ATOM 0 H HIS A 78 -1.981 2.892 -5.739 1.00 0.00 H new ATOM 0 HA HIS A 78 -1.088 0.483 -5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.358 0.533 -5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.192 1.423 -6.911 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.728 -0.458 -8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.989 -3.670 -7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.100 -2.871 -9.091 1.00 0.00 H new ATOM 760 N GLU A 79 -0.622 0.633 -8.287 1.00 0.00 N ATOM 761 CA GLU A 79 0.197 0.110 -9.374 1.00 0.00 C ATOM 762 C GLU A 79 1.674 0.413 -9.138 1.00 0.00 C ATOM 763 O GLU A 79 2.525 -0.471 -9.242 1.00 0.00 O ATOM 764 CB GLU A 79 -0.250 0.706 -10.711 1.00 0.00 C ATOM 765 CG GLU A 79 -0.211 2.225 -10.743 1.00 0.00 C ATOM 766 CD GLU A 79 -0.731 2.794 -12.049 1.00 0.00 C ATOM 767 OE1 GLU A 79 -0.088 2.567 -13.094 1.00 0.00 O ATOM 768 OE2 GLU A 79 -1.783 3.468 -12.024 1.00 0.00 O ATOM 0 H GLU A 79 -1.367 1.262 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 79 0.067 -0.972 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.389 0.318 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.265 0.372 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.805 2.618 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.814 2.562 -10.587 1.00 0.00 H new ATOM 775 N PHE A 80 1.971 1.669 -8.821 1.00 0.00 N ATOM 776 CA PHE A 80 3.344 2.090 -8.571 1.00 0.00 C ATOM 777 C PHE A 80 4.016 1.177 -7.549 1.00 0.00 C ATOM 778 O PHE A 80 5.208 0.888 -7.648 1.00 0.00 O ATOM 779 CB PHE A 80 3.374 3.538 -8.077 1.00 0.00 C ATOM 780 CG PHE A 80 3.122 4.547 -9.161 1.00 0.00 C ATOM 781 CD1 PHE A 80 3.805 4.475 -10.364 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.203 5.567 -8.976 1.00 0.00 C ATOM 783 CE1 PHE A 80 3.576 5.402 -11.363 1.00 0.00 C ATOM 784 CE2 PHE A 80 1.969 6.496 -9.971 1.00 0.00 C ATOM 785 CZ PHE A 80 2.657 6.414 -11.166 1.00 0.00 C ATOM 0 H PHE A 80 1.279 2.413 -8.731 1.00 0.00 H new ATOM 0 HA PHE A 80 3.895 2.022 -9.509 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.625 3.662 -7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.345 3.739 -7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.525 3.685 -10.523 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.663 5.637 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.115 5.335 -12.297 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.249 7.286 -9.815 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.477 7.140 -11.945 1.00 0.00 H new ATOM 795 N VAL A 81 3.241 0.728 -6.567 1.00 0.00 N ATOM 796 CA VAL A 81 3.760 -0.152 -5.526 1.00 0.00 C ATOM 797 C VAL A 81 4.617 -1.262 -6.122 1.00 0.00 C ATOM 798 O VAL A 81 4.248 -1.879 -7.122 1.00 0.00 O ATOM 799 CB VAL A 81 2.619 -0.783 -4.706 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.179 -1.709 -3.636 1.00 0.00 C ATOM 801 CG2 VAL A 81 1.749 0.298 -4.084 1.00 0.00 C ATOM 0 H VAL A 81 2.252 0.959 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 81 4.374 0.463 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 81 1.998 -1.376 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.358 -2.146 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.756 -2.504 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.824 -1.142 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.948 -0.166 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.356 0.919 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.318 0.916 -4.872 1.00 0.00 H new ATOM 811 N THR A 82 5.766 -1.513 -5.501 1.00 0.00 N ATOM 812 CA THR A 82 6.677 -2.549 -5.970 1.00 0.00 C ATOM 813 C THR A 82 6.861 -3.637 -4.919 1.00 0.00 C ATOM 814 O THR A 82 6.855 -4.827 -5.235 1.00 0.00 O ATOM 815 CB THR A 82 8.055 -1.963 -6.332 1.00 0.00 C ATOM 816 OG1 THR A 82 8.650 -1.360 -5.178 1.00 0.00 O ATOM 817 CG2 THR A 82 7.929 -0.930 -7.442 1.00 0.00 C ATOM 0 H THR A 82 6.087 -1.013 -4.672 1.00 0.00 H new ATOM 0 HA THR A 82 6.228 -2.983 -6.863 1.00 0.00 H new ATOM 0 HB THR A 82 8.690 -2.776 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.526 -0.992 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.915 -0.530 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.503 -1.399 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.279 -0.120 -7.113 1.00 0.00 H new ATOM 825 N PHE A 83 7.024 -3.222 -3.667 1.00 0.00 N ATOM 826 CA PHE A 83 7.210 -4.162 -2.568 1.00 0.00 C ATOM 827 C PHE A 83 6.355 -5.410 -2.769 1.00 0.00 C ATOM 828 O PHE A 83 5.257 -5.340 -3.320 1.00 0.00 O ATOM 829 CB PHE A 83 6.856 -3.498 -1.235 1.00 0.00 C ATOM 830 CG PHE A 83 6.597 -4.479 -0.127 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.548 -5.427 0.214 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.402 -4.452 0.573 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.313 -6.330 1.233 1.00 0.00 C ATOM 834 CE2 PHE A 83 5.161 -5.352 1.594 1.00 0.00 C ATOM 835 CZ PHE A 83 6.117 -6.293 1.923 1.00 0.00 C ATOM 0 H PHE A 83 7.031 -2.241 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 83 8.259 -4.459 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.670 -2.836 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.972 -2.875 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.484 -5.461 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.650 -3.720 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.063 -7.063 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.226 -5.319 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.930 -6.999 2.719 1.00 0.00 H new ATOM 845 N GLU A 84 6.868 -6.551 -2.319 1.00 0.00 N ATOM 846 CA GLU A 84 6.153 -7.815 -2.451 1.00 0.00 C ATOM 847 C GLU A 84 5.401 -8.151 -1.167 1.00 0.00 C ATOM 848 O GLU A 84 6.006 -8.340 -0.111 1.00 0.00 O ATOM 849 CB GLU A 84 7.127 -8.944 -2.796 1.00 0.00 C ATOM 850 CG GLU A 84 8.310 -9.037 -1.848 1.00 0.00 C ATOM 851 CD GLU A 84 9.163 -10.266 -2.098 1.00 0.00 C ATOM 852 OE1 GLU A 84 10.076 -10.193 -2.947 1.00 0.00 O ATOM 853 OE2 GLU A 84 8.916 -11.302 -1.445 1.00 0.00 O ATOM 0 H GLU A 84 7.776 -6.626 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 84 5.429 -7.711 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.589 -9.892 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.496 -8.797 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.926 -8.144 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.947 -9.054 -0.820 1.00 0.00 H new ATOM 860 N CYS A 85 4.078 -8.224 -1.265 1.00 0.00 N ATOM 861 CA CYS A 85 3.241 -8.537 -0.113 1.00 0.00 C ATOM 862 C CYS A 85 3.871 -9.638 0.734 1.00 0.00 C ATOM 863 O CYS A 85 4.346 -10.653 0.224 1.00 0.00 O ATOM 864 CB CYS A 85 1.846 -8.965 -0.571 1.00 0.00 C ATOM 865 SG CYS A 85 0.571 -8.853 0.726 1.00 0.00 S ATOM 0 H CYS A 85 3.562 -8.070 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 85 3.155 -7.638 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.546 -8.344 -1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.893 -9.992 -0.932 1.00 0.00 H new ATOM 870 N PRO A 86 3.876 -9.435 2.060 1.00 0.00 N ATOM 871 CA PRO A 86 4.444 -10.400 3.007 1.00 0.00 C ATOM 872 C PRO A 86 3.611 -11.673 3.106 1.00 0.00 C ATOM 873 O PRO A 86 4.142 -12.781 3.038 1.00 0.00 O ATOM 874 CB PRO A 86 4.426 -9.644 4.337 1.00 0.00 C ATOM 875 CG PRO A 86 3.334 -8.641 4.189 1.00 0.00 C ATOM 876 CD PRO A 86 3.328 -8.248 2.737 1.00 0.00 C ATOM 0 HA PRO A 86 5.437 -10.733 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.234 -10.317 5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.384 -9.161 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.373 -9.064 4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.510 -7.775 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.322 -8.015 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.940 -7.364 2.557 1.00 0.00 H new ATOM 884 N GLY A 87 2.302 -11.508 3.267 1.00 0.00 N ATOM 885 CA GLY A 87 1.416 -12.653 3.373 1.00 0.00 C ATOM 886 C GLY A 87 1.208 -13.349 2.043 1.00 0.00 C ATOM 887 O GLY A 87 1.291 -14.574 1.957 1.00 0.00 O ATOM 0 H GLY A 87 1.839 -10.601 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.828 -13.363 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.452 -12.328 3.764 1.00 0.00 H new ATOM 891 N ALA A 88 0.935 -12.567 1.004 1.00 0.00 N ATOM 892 CA ALA A 88 0.714 -13.117 -0.328 1.00 0.00 C ATOM 893 C ALA A 88 2.014 -13.638 -0.929 1.00 0.00 C ATOM 894 O ALA A 88 2.100 -14.796 -1.338 1.00 0.00 O ATOM 895 CB ALA A 88 0.095 -12.065 -1.236 1.00 0.00 C ATOM 0 H ALA A 88 0.862 -11.551 1.059 1.00 0.00 H new ATOM 0 HA ALA A 88 0.024 -13.956 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.065 -12.489 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.860 -11.742 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.766 -11.209 -1.311 1.00 0.00 H new ATOM 901 N GLY A 89 3.025 -12.776 -0.981 1.00 0.00 N ATOM 902 CA GLY A 89 4.308 -13.168 -1.535 1.00 0.00 C ATOM 903 C GLY A 89 4.292 -13.224 -3.050 1.00 0.00 C ATOM 904 O GLY A 89 3.234 -13.127 -3.672 1.00 0.00 O ATOM 0 H GLY A 89 2.978 -11.813 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.072 -12.463 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.587 -14.145 -1.141 1.00 0.00 H new ATOM 908 N LYS A 90 5.469 -13.379 -3.646 1.00 0.00 N ATOM 909 CA LYS A 90 5.589 -13.447 -5.098 1.00 0.00 C ATOM 910 C LYS A 90 6.141 -14.799 -5.536 1.00 0.00 C ATOM 911 O LYS A 90 7.354 -14.986 -5.626 1.00 0.00 O ATOM 912 CB LYS A 90 6.495 -12.324 -5.608 1.00 0.00 C ATOM 913 CG LYS A 90 6.454 -12.148 -7.117 1.00 0.00 C ATOM 914 CD LYS A 90 7.332 -10.993 -7.567 1.00 0.00 C ATOM 915 CE LYS A 90 8.799 -11.394 -7.619 1.00 0.00 C ATOM 916 NZ LYS A 90 9.701 -10.215 -7.507 1.00 0.00 N ATOM 0 H LYS A 90 6.354 -13.460 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 90 4.594 -13.326 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.202 -11.388 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.521 -12.529 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.784 -13.067 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.427 -11.971 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.012 -10.653 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.208 -10.153 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.013 -12.093 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.999 -11.917 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.691 -10.530 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.515 -9.560 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.528 -9.730 -6.603 1.00 0.00 H new ATOM 930 N GLY A 91 5.242 -15.741 -5.808 1.00 0.00 N ATOM 931 CA GLY A 91 5.660 -17.064 -6.235 1.00 0.00 C ATOM 932 C GLY A 91 6.582 -17.731 -5.235 1.00 0.00 C ATOM 933 O GLY A 91 6.299 -17.787 -4.038 1.00 0.00 O ATOM 0 H GLY A 91 4.233 -15.611 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.780 -17.689 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.166 -16.989 -7.197 1.00 0.00 H new ATOM 937 N PRO A 92 7.715 -18.255 -5.726 1.00 0.00 N ATOM 938 CA PRO A 92 8.704 -18.933 -4.883 1.00 0.00 C ATOM 939 C PRO A 92 9.437 -17.967 -3.958 1.00 0.00 C ATOM 940 O PRO A 92 9.581 -16.785 -4.269 1.00 0.00 O ATOM 941 CB PRO A 92 9.676 -19.543 -5.897 1.00 0.00 C ATOM 942 CG PRO A 92 9.549 -18.683 -7.107 1.00 0.00 C ATOM 943 CD PRO A 92 8.117 -18.225 -7.142 1.00 0.00 C ATOM 0 HA PRO A 92 8.242 -19.665 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.697 -19.543 -5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.419 -20.579 -6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.229 -17.833 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.803 -19.239 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.025 -17.224 -7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.498 -18.886 -7.749 1.00 0.00 H new ATOM 951 N GLN A 93 9.897 -18.479 -2.821 1.00 0.00 N ATOM 952 CA GLN A 93 10.615 -17.660 -1.851 1.00 0.00 C ATOM 953 C GLN A 93 12.118 -17.708 -2.104 1.00 0.00 C ATOM 954 O GLN A 93 12.660 -18.740 -2.501 1.00 0.00 O ATOM 955 CB GLN A 93 10.310 -18.133 -0.428 1.00 0.00 C ATOM 956 CG GLN A 93 8.940 -17.707 0.074 1.00 0.00 C ATOM 957 CD GLN A 93 7.839 -18.656 -0.359 1.00 0.00 C ATOM 958 OE1 GLN A 93 8.087 -19.627 -1.075 1.00 0.00 O ATOM 959 NE2 GLN A 93 6.615 -18.380 0.075 1.00 0.00 N ATOM 0 H GLN A 93 9.786 -19.456 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 93 10.279 -16.629 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.379 -19.220 -0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.072 -17.743 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.958 -17.649 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.717 -16.706 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.455 -17.565 0.667 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.834 -18.983 -0.183 1.00 0.00 H new ATOM 968 N THR A 94 12.788 -16.583 -1.873 1.00 0.00 N ATOM 969 CA THR A 94 14.228 -16.496 -2.077 1.00 0.00 C ATOM 970 C THR A 94 14.989 -17.051 -0.878 1.00 0.00 C ATOM 971 O THR A 94 14.483 -17.048 0.245 1.00 0.00 O ATOM 972 CB THR A 94 14.674 -15.042 -2.325 1.00 0.00 C ATOM 973 OG1 THR A 94 13.874 -14.454 -3.358 1.00 0.00 O ATOM 974 CG2 THR A 94 16.142 -14.985 -2.719 1.00 0.00 C ATOM 0 H THR A 94 12.356 -15.720 -1.544 1.00 0.00 H new ATOM 0 HA THR A 94 14.458 -17.095 -2.958 1.00 0.00 H new ATOM 0 HB THR A 94 14.541 -14.482 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.162 -13.530 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.433 -13.948 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.750 -15.406 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.296 -15.559 -3.632 1.00 0.00 H new ATOM 982 N ASP A 95 16.205 -17.525 -1.123 1.00 0.00 N ATOM 983 CA ASP A 95 17.037 -18.081 -0.062 1.00 0.00 C ATOM 984 C ASP A 95 17.743 -16.973 0.713 1.00 0.00 C ATOM 985 O ASP A 95 18.427 -16.133 0.129 1.00 0.00 O ATOM 986 CB ASP A 95 18.067 -19.049 -0.647 1.00 0.00 C ATOM 987 CG ASP A 95 19.232 -18.329 -1.297 1.00 0.00 C ATOM 988 OD1 ASP A 95 20.157 -17.917 -0.566 1.00 0.00 O ATOM 989 OD2 ASP A 95 19.219 -18.177 -2.537 1.00 0.00 O ATOM 0 H ASP A 95 16.637 -17.536 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 95 16.390 -18.624 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.441 -19.699 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.582 -19.689 -1.384 1.00 0.00 H new ATOM 994 N ASP A 96 17.571 -16.978 2.030 1.00 0.00 N ATOM 995 CA ASP A 96 18.192 -15.974 2.886 1.00 0.00 C ATOM 996 C ASP A 96 19.656 -15.768 2.509 1.00 0.00 C ATOM 997 O ASP A 96 20.468 -16.692 2.547 1.00 0.00 O ATOM 998 CB ASP A 96 18.085 -16.387 4.355 1.00 0.00 C ATOM 999 CG ASP A 96 18.370 -17.861 4.564 1.00 0.00 C ATOM 1000 OD1 ASP A 96 17.479 -18.686 4.272 1.00 0.00 O ATOM 1001 OD2 ASP A 96 19.486 -18.190 5.019 1.00 0.00 O ATOM 0 H ASP A 96 17.007 -17.666 2.528 1.00 0.00 H new ATOM 0 HA ASP A 96 17.662 -15.033 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.785 -15.797 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.085 -16.158 4.722 1.00 0.00 H new ATOM 1006 N PRO A 97 20.002 -14.528 2.133 1.00 0.00 N ATOM 1007 CA PRO A 97 21.369 -14.172 1.741 1.00 0.00 C ATOM 1008 C PRO A 97 22.334 -14.190 2.921 1.00 0.00 C ATOM 1009 O PRO A 97 23.440 -13.655 2.839 1.00 0.00 O ATOM 1010 CB PRO A 97 21.222 -12.750 1.192 1.00 0.00 C ATOM 1011 CG PRO A 97 20.010 -12.207 1.868 1.00 0.00 C ATOM 1012 CD PRO A 97 19.086 -13.377 2.064 1.00 0.00 C ATOM 0 HA PRO A 97 21.784 -14.880 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.103 -12.147 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.103 -12.754 0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 97 20.268 -11.749 2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 97 19.538 -11.434 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.498 -13.276 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.380 -13.474 1.239 1.00 0.00 H new ATOM 1020 N ARG A 98 21.909 -14.808 4.018 1.00 0.00 N ATOM 1021 CA ARG A 98 22.736 -14.895 5.216 1.00 0.00 C ATOM 1022 C ARG A 98 24.218 -14.913 4.852 1.00 0.00 C ATOM 1023 O ARG A 98 24.615 -15.511 3.853 1.00 0.00 O ATOM 1024 CB ARG A 98 22.381 -16.149 6.017 1.00 0.00 C ATOM 1025 CG ARG A 98 22.759 -17.445 5.318 1.00 0.00 C ATOM 1026 CD ARG A 98 23.050 -18.553 6.319 1.00 0.00 C ATOM 1027 NE ARG A 98 21.841 -19.003 7.004 1.00 0.00 N ATOM 1028 CZ ARG A 98 21.053 -19.969 6.545 1.00 0.00 C ATOM 1029 NH1 ARG A 98 21.346 -20.584 5.408 1.00 0.00 N ATOM 1030 NH2 ARG A 98 19.970 -20.323 7.226 1.00 0.00 N ATOM 0 H ARG A 98 20.997 -15.256 4.102 1.00 0.00 H new ATOM 0 HA ARG A 98 22.540 -14.015 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 98 22.884 -16.107 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.309 -16.152 6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.949 -17.753 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 98 23.635 -17.280 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.509 -19.396 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 98 23.772 -18.197 7.054 1.00 0.00 H new ATOM 0 HE ARG A 98 21.588 -18.551 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.178 -20.316 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.739 -21.325 5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.742 -19.853 8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.365 -21.065 6.873 1.00 0.00 H new ATOM 1044 N ASN A 99 25.031 -14.252 5.671 1.00 0.00 N ATOM 1045 CA ASN A 99 26.469 -14.191 5.436 1.00 0.00 C ATOM 1046 C ASN A 99 27.224 -15.033 6.460 1.00 0.00 C ATOM 1047 O ASN A 99 26.619 -15.681 7.315 1.00 0.00 O ATOM 1048 CB ASN A 99 26.955 -12.742 5.493 1.00 0.00 C ATOM 1049 CG ASN A 99 26.020 -11.790 4.772 1.00 0.00 C ATOM 1050 OD1 ASN A 99 25.955 -11.777 3.543 1.00 0.00 O ATOM 1051 ND2 ASN A 99 25.289 -10.986 5.536 1.00 0.00 N ATOM 0 H ASN A 99 24.718 -13.751 6.503 1.00 0.00 H new ATOM 0 HA ASN A 99 26.667 -14.595 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 99 27.050 -12.434 6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 99 27.948 -12.677 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 99 24.642 -10.324 5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 99 25.375 -11.030 6.551 1.00 0.00 H new ATOM 1058 N LYS A 100 28.549 -15.019 6.368 1.00 0.00 N ATOM 1059 CA LYS A 100 29.389 -15.779 7.286 1.00 0.00 C ATOM 1060 C LYS A 100 29.149 -15.344 8.728 1.00 0.00 C ATOM 1061 O LYS A 100 28.352 -14.443 8.991 1.00 0.00 O ATOM 1062 CB LYS A 100 30.866 -15.599 6.927 1.00 0.00 C ATOM 1063 CG LYS A 100 31.410 -14.222 7.264 1.00 0.00 C ATOM 1064 CD LYS A 100 32.536 -13.823 6.325 1.00 0.00 C ATOM 1065 CE LYS A 100 32.920 -12.362 6.504 1.00 0.00 C ATOM 1066 NZ LYS A 100 31.951 -11.448 5.836 1.00 0.00 N ATOM 0 H LYS A 100 29.065 -14.489 5.666 1.00 0.00 H new ATOM 0 HA LYS A 100 29.125 -16.832 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 100 31.453 -16.351 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 100 30.997 -15.781 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 100 30.607 -13.488 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 100 31.772 -14.214 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 100 33.406 -14.454 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 100 32.229 -13.996 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 100 32.968 -12.127 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 100 33.917 -12.196 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 32.257 -10.463 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 31.911 -11.667 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 31.008 -11.576 6.255 1.00 0.00 H new ATOM 1080 N HIS A 101 29.845 -15.989 9.659 1.00 0.00 N ATOM 1081 CA HIS A 101 29.709 -15.667 11.076 1.00 0.00 C ATOM 1082 C HIS A 101 29.742 -14.158 11.295 1.00 0.00 C ATOM 1083 O HIS A 101 30.045 -13.393 10.379 1.00 0.00 O ATOM 1084 CB HIS A 101 30.822 -16.336 11.882 1.00 0.00 C ATOM 1085 CG HIS A 101 32.189 -16.118 11.310 1.00 0.00 C ATOM 1086 ND1 HIS A 101 32.534 -14.993 10.591 1.00 0.00 N ATOM 1087 CD2 HIS A 101 33.301 -16.889 11.355 1.00 0.00 C ATOM 1088 CE1 HIS A 101 33.798 -15.081 10.218 1.00 0.00 C ATOM 1089 NE2 HIS A 101 34.287 -16.222 10.670 1.00 0.00 N ATOM 0 H HIS A 101 30.508 -16.737 9.458 1.00 0.00 H new ATOM 0 HA HIS A 101 28.746 -16.045 11.419 1.00 0.00 H new ATOM 0 HB2 HIS A 101 30.799 -15.955 12.903 1.00 0.00 H new ATOM 0 HB3 HIS A 101 30.626 -17.407 11.937 1.00 0.00 H new ATOM 0 HD2 HIS A 101 33.395 -17.850 11.839 1.00 0.00 H new ATOM 0 HE1 HIS A 101 34.340 -14.345 9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 101 35.242 -16.554 10.533 1.00 0.00 H new ATOM 1097 N LYS A 102 29.427 -13.735 12.515 1.00 0.00 N ATOM 1098 CA LYS A 102 29.421 -12.318 12.856 1.00 0.00 C ATOM 1099 C LYS A 102 30.843 -11.795 13.034 1.00 0.00 C ATOM 1100 O LYS A 102 31.788 -12.571 13.178 1.00 0.00 O ATOM 1101 CB LYS A 102 28.617 -12.084 14.137 1.00 0.00 C ATOM 1102 CG LYS A 102 27.875 -10.759 14.156 1.00 0.00 C ATOM 1103 CD LYS A 102 27.430 -10.389 15.561 1.00 0.00 C ATOM 1104 CE LYS A 102 28.605 -9.945 16.419 1.00 0.00 C ATOM 1105 NZ LYS A 102 28.396 -10.272 17.857 1.00 0.00 N ATOM 0 H LYS A 102 29.172 -14.354 13.284 1.00 0.00 H new ATOM 0 HA LYS A 102 28.953 -11.775 12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.899 -12.895 14.258 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.292 -12.125 14.992 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.519 -9.974 13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 102 27.005 -10.819 13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.692 -9.589 15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.941 -11.245 16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 102 29.516 -10.428 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 102 28.750 -8.870 16.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 29.218 -9.954 18.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.541 -9.791 18.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 28.283 -11.300 17.966 1.00 0.00 H new ATOM 1119 N PHE A 103 30.988 -10.474 13.024 1.00 0.00 N ATOM 1120 CA PHE A 103 32.295 -9.847 13.185 1.00 0.00 C ATOM 1121 C PHE A 103 32.616 -9.628 14.661 1.00 0.00 C ATOM 1122 O PHE A 103 31.787 -9.890 15.532 1.00 0.00 O ATOM 1123 CB PHE A 103 32.340 -8.513 12.438 1.00 0.00 C ATOM 1124 CG PHE A 103 33.732 -7.986 12.234 1.00 0.00 C ATOM 1125 CD1 PHE A 103 34.524 -8.467 11.203 1.00 0.00 C ATOM 1126 CD2 PHE A 103 34.248 -7.011 13.071 1.00 0.00 C ATOM 1127 CE1 PHE A 103 35.805 -7.985 11.014 1.00 0.00 C ATOM 1128 CE2 PHE A 103 35.528 -6.524 12.886 1.00 0.00 C ATOM 1129 CZ PHE A 103 36.308 -7.011 11.855 1.00 0.00 C ATOM 0 H PHE A 103 30.217 -9.817 12.906 1.00 0.00 H new ATOM 0 HA PHE A 103 33.045 -10.516 12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 103 31.860 -8.633 11.467 1.00 0.00 H new ATOM 0 HB3 PHE A 103 31.759 -7.776 12.992 1.00 0.00 H new ATOM 0 HD1 PHE A 103 34.136 -9.226 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 103 33.643 -6.626 13.878 1.00 0.00 H new ATOM 0 HE1 PHE A 103 36.413 -8.370 10.209 1.00 0.00 H new ATOM 0 HE2 PHE A 103 35.918 -5.764 13.547 1.00 0.00 H new ATOM 0 HZ PHE A 103 37.308 -6.631 11.707 1.00 0.00 H new ATOM 1139 N ARG A 104 33.824 -9.145 14.932 1.00 0.00 N ATOM 1140 CA ARG A 104 34.255 -8.892 16.302 1.00 0.00 C ATOM 1141 C ARG A 104 33.255 -8.000 17.031 1.00 0.00 C ATOM 1142 O ARG A 104 32.341 -7.444 16.419 1.00 0.00 O ATOM 1143 CB ARG A 104 35.638 -8.238 16.311 1.00 0.00 C ATOM 1144 CG ARG A 104 36.515 -8.685 17.469 1.00 0.00 C ATOM 1145 CD ARG A 104 37.471 -7.583 17.901 1.00 0.00 C ATOM 1146 NE ARG A 104 38.651 -8.116 18.576 1.00 0.00 N ATOM 1147 CZ ARG A 104 39.828 -7.501 18.594 1.00 0.00 C ATOM 1148 NH1 ARG A 104 39.981 -6.337 17.977 1.00 0.00 N ATOM 1149 NH2 ARG A 104 40.855 -8.049 19.230 1.00 0.00 N ATOM 0 H ARG A 104 34.521 -8.921 14.222 1.00 0.00 H new ATOM 0 HA ARG A 104 34.309 -9.849 16.822 1.00 0.00 H new ATOM 0 HB2 ARG A 104 36.145 -8.466 15.373 1.00 0.00 H new ATOM 0 HB3 ARG A 104 35.518 -7.155 16.353 1.00 0.00 H new ATOM 0 HG2 ARG A 104 35.887 -8.975 18.312 1.00 0.00 H new ATOM 0 HG3 ARG A 104 37.084 -9.568 17.177 1.00 0.00 H new ATOM 0 HD2 ARG A 104 37.781 -7.009 17.028 1.00 0.00 H new ATOM 0 HD3 ARG A 104 36.952 -6.894 18.567 1.00 0.00 H new ATOM 0 HE ARG A 104 38.567 -9.010 19.060 1.00 0.00 H new ATOM 0 HH11 ARG A 104 39.194 -5.912 17.487 1.00 0.00 H new ATOM 0 HH12 ARG A 104 40.886 -5.867 17.992 1.00 0.00 H new ATOM 0 HH21 ARG A 104 40.741 -8.944 19.706 1.00 0.00 H new ATOM 0 HH22 ARG A 104 41.758 -7.576 19.243 1.00 0.00 H new ATOM 1163 N LEU A 105 33.432 -7.869 18.341 1.00 0.00 N ATOM 1164 CA LEU A 105 32.545 -7.045 19.154 1.00 0.00 C ATOM 1165 C LEU A 105 33.322 -5.934 19.854 1.00 0.00 C ATOM 1166 O LEU A 105 34.519 -5.763 19.626 1.00 0.00 O ATOM 1167 CB LEU A 105 31.823 -7.908 20.190 1.00 0.00 C ATOM 1168 CG LEU A 105 30.611 -7.268 20.869 1.00 0.00 C ATOM 1169 CD1 LEU A 105 31.008 -5.973 21.560 1.00 0.00 C ATOM 1170 CD2 LEU A 105 29.503 -7.017 19.856 1.00 0.00 C ATOM 0 H LEU A 105 34.182 -8.323 18.863 1.00 0.00 H new ATOM 0 HA LEU A 105 31.808 -6.587 18.494 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.498 -8.828 19.704 1.00 0.00 H new ATOM 0 HB3 LEU A 105 32.540 -8.190 20.961 1.00 0.00 H new ATOM 0 HG LEU A 105 30.235 -7.958 21.625 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.133 -5.532 22.037 1.00 0.00 H new ATOM 0 HD12 LEU A 105 31.767 -6.181 22.314 1.00 0.00 H new ATOM 0 HD13 LEU A 105 31.409 -5.276 20.824 1.00 0.00 H new ATOM 0 HD21 LEU A 105 28.649 -6.561 20.357 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.867 -6.347 19.077 1.00 0.00 H new ATOM 0 HD23 LEU A 105 29.199 -7.963 19.408 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.292 7.621 -2.305 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.398 -6.741 0.845 1.00 0.00 ZN