USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=14 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 -54:sc= 0.336 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+ -144:sc= -0.963 (180deg=-2.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.5 (180deg=-1.79!) USER MOD Single : A 45 GLN : amide:sc= -2.87! C(o=-2.9!,f=-3.6!) USER MOD Single : A 47 THR OG1 : rot 162:sc= 0.101 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.295 K(o=-0.29,f=-2.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0697 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 0.12 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc= -4.76! C(o=-4.8!,f=-4.6!) USER MOD Single : A 67 GLN : amide:sc=-0.00236 X(o=-0.0024,f=-0.0024) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -11.2! C(o=-11!,f=-14!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.28) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.26) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 8.029 -10.841 -8.745 1.00 0.00 N ATOM 2 CA GLY A 29 8.546 -12.172 -9.006 1.00 0.00 C ATOM 3 C GLY A 29 9.097 -12.316 -10.410 1.00 0.00 C ATOM 4 O GLY A 29 9.846 -11.460 -10.881 1.00 0.00 O ATOM 0 HA2 GLY A 29 9.332 -12.401 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.752 -12.903 -8.854 1.00 0.00 H new ATOM 8 N SER A 30 8.727 -13.402 -11.082 1.00 0.00 N ATOM 9 CA SER A 30 9.194 -13.657 -12.439 1.00 0.00 C ATOM 10 C SER A 30 8.018 -13.775 -13.405 1.00 0.00 C ATOM 11 O SER A 30 6.858 -13.723 -12.997 1.00 0.00 O ATOM 12 CB SER A 30 10.033 -14.936 -12.480 1.00 0.00 C ATOM 13 OG SER A 30 9.213 -16.087 -12.382 1.00 0.00 O ATOM 0 H SER A 30 8.105 -14.119 -10.708 1.00 0.00 H new ATOM 0 HA SER A 30 9.813 -12.815 -12.749 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.604 -14.970 -13.408 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.754 -14.928 -11.662 1.00 0.00 H new ATOM 0 HG SER A 30 9.773 -16.891 -12.412 1.00 0.00 H new ATOM 19 N SER A 31 8.328 -13.935 -14.688 1.00 0.00 N ATOM 20 CA SER A 31 7.299 -14.057 -15.713 1.00 0.00 C ATOM 21 C SER A 31 6.169 -13.061 -15.469 1.00 0.00 C ATOM 22 O SER A 31 4.992 -13.397 -15.598 1.00 0.00 O ATOM 23 CB SER A 31 6.742 -15.481 -15.740 1.00 0.00 C ATOM 24 OG SER A 31 5.906 -15.681 -16.867 1.00 0.00 O ATOM 0 H SER A 31 9.283 -13.983 -15.042 1.00 0.00 H new ATOM 0 HA SER A 31 7.754 -13.835 -16.678 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.564 -16.196 -15.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.178 -15.672 -14.827 1.00 0.00 H new ATOM 0 HG SER A 31 5.211 -14.990 -16.886 1.00 0.00 H new ATOM 30 N GLY A 32 6.536 -11.833 -15.115 1.00 0.00 N ATOM 31 CA GLY A 32 5.542 -10.807 -14.859 1.00 0.00 C ATOM 32 C GLY A 32 5.559 -10.331 -13.420 1.00 0.00 C ATOM 33 O GLY A 32 6.355 -10.807 -12.610 1.00 0.00 O ATOM 0 H GLY A 32 7.503 -11.531 -15.001 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.720 -9.960 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.552 -11.196 -15.098 1.00 0.00 H new ATOM 37 N SER A 33 4.680 -9.387 -13.100 1.00 0.00 N ATOM 38 CA SER A 33 4.601 -8.842 -11.750 1.00 0.00 C ATOM 39 C SER A 33 3.148 -8.687 -11.311 1.00 0.00 C ATOM 40 O SER A 33 2.292 -8.273 -12.093 1.00 0.00 O ATOM 41 CB SER A 33 5.313 -7.490 -11.680 1.00 0.00 C ATOM 42 OG SER A 33 5.210 -6.925 -10.385 1.00 0.00 O ATOM 0 H SER A 33 4.012 -8.984 -13.757 1.00 0.00 H new ATOM 0 HA SER A 33 5.095 -9.540 -11.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.363 -7.615 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.880 -6.809 -12.413 1.00 0.00 H new ATOM 0 HG SER A 33 5.675 -6.062 -10.367 1.00 0.00 H new ATOM 48 N SER A 34 2.877 -9.022 -10.054 1.00 0.00 N ATOM 49 CA SER A 34 1.527 -8.924 -9.510 1.00 0.00 C ATOM 50 C SER A 34 1.474 -7.916 -8.366 1.00 0.00 C ATOM 51 O SER A 34 2.500 -7.561 -7.789 1.00 0.00 O ATOM 52 CB SER A 34 1.051 -10.293 -9.021 1.00 0.00 C ATOM 53 OG SER A 34 0.970 -11.218 -10.092 1.00 0.00 O ATOM 0 H SER A 34 3.574 -9.364 -9.393 1.00 0.00 H new ATOM 0 HA SER A 34 0.866 -8.580 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.737 -10.670 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.074 -10.194 -8.547 1.00 0.00 H new ATOM 0 HG SER A 34 0.665 -12.085 -9.753 1.00 0.00 H new ATOM 59 N GLY A 35 0.267 -7.458 -8.045 1.00 0.00 N ATOM 60 CA GLY A 35 0.101 -6.495 -6.972 1.00 0.00 C ATOM 61 C GLY A 35 -0.635 -7.076 -5.781 1.00 0.00 C ATOM 62 O GLY A 35 -0.903 -8.277 -5.732 1.00 0.00 O ATOM 0 H GLY A 35 -0.598 -7.737 -8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.081 -6.140 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.446 -5.629 -7.346 1.00 0.00 H new ATOM 66 N HIS A 36 -0.961 -6.222 -4.816 1.00 0.00 N ATOM 67 CA HIS A 36 -1.670 -6.658 -3.617 1.00 0.00 C ATOM 68 C HIS A 36 -3.147 -6.895 -3.916 1.00 0.00 C ATOM 69 O HIS A 36 -3.616 -6.642 -5.026 1.00 0.00 O ATOM 70 CB HIS A 36 -1.523 -5.618 -2.506 1.00 0.00 C ATOM 71 CG HIS A 36 -0.118 -5.468 -2.008 1.00 0.00 C ATOM 72 ND1 HIS A 36 0.214 -5.507 -0.670 1.00 0.00 N ATOM 73 CD2 HIS A 36 1.043 -5.280 -2.677 1.00 0.00 C ATOM 74 CE1 HIS A 36 1.519 -5.348 -0.538 1.00 0.00 C ATOM 75 NE2 HIS A 36 2.045 -5.208 -1.741 1.00 0.00 N ATOM 0 H HIS A 36 -0.746 -5.225 -4.840 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.229 -7.598 -3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.874 -4.654 -2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.168 -5.896 -1.672 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.160 -5.201 -3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.063 -5.335 0.395 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.035 -5.069 -1.942 1.00 0.00 H new ATOM 83 N LYS A 37 -3.876 -7.383 -2.918 1.00 0.00 N ATOM 84 CA LYS A 37 -5.301 -7.655 -3.072 1.00 0.00 C ATOM 85 C LYS A 37 -6.122 -6.387 -2.865 1.00 0.00 C ATOM 86 O LYS A 37 -7.142 -6.401 -2.176 1.00 0.00 O ATOM 87 CB LYS A 37 -5.746 -8.731 -2.080 1.00 0.00 C ATOM 88 CG LYS A 37 -5.422 -10.145 -2.530 1.00 0.00 C ATOM 89 CD LYS A 37 -5.841 -11.171 -1.491 1.00 0.00 C ATOM 90 CE LYS A 37 -7.307 -11.548 -1.640 1.00 0.00 C ATOM 91 NZ LYS A 37 -8.210 -10.457 -1.180 1.00 0.00 N ATOM 0 H LYS A 37 -3.504 -7.598 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.469 -8.014 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.268 -8.546 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.821 -8.646 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.928 -10.353 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.352 -10.232 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.223 -12.063 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.667 -10.771 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.518 -11.778 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.509 -12.453 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.048 -10.870 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.706 -9.853 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.507 -9.885 -1.996 1.00 0.00 H new ATOM 105 N PHE A 38 -5.672 -5.291 -3.467 1.00 0.00 N ATOM 106 CA PHE A 38 -6.366 -4.014 -3.349 1.00 0.00 C ATOM 107 C PHE A 38 -7.847 -4.166 -3.685 1.00 0.00 C ATOM 108 O PHE A 38 -8.226 -5.001 -4.507 1.00 0.00 O ATOM 109 CB PHE A 38 -5.726 -2.974 -4.272 1.00 0.00 C ATOM 110 CG PHE A 38 -4.345 -2.564 -3.847 1.00 0.00 C ATOM 111 CD1 PHE A 38 -4.158 -1.767 -2.730 1.00 0.00 C ATOM 112 CD2 PHE A 38 -3.234 -2.976 -4.566 1.00 0.00 C ATOM 113 CE1 PHE A 38 -2.888 -1.388 -2.336 1.00 0.00 C ATOM 114 CE2 PHE A 38 -1.962 -2.601 -4.176 1.00 0.00 C ATOM 115 CZ PHE A 38 -1.789 -1.805 -3.061 1.00 0.00 C ATOM 0 H PHE A 38 -4.830 -5.262 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.279 -3.676 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.681 -3.377 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.364 -2.091 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.014 -1.438 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.364 -3.597 -5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.756 -0.767 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.104 -2.930 -4.743 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.796 -1.509 -2.756 1.00 0.00 H new ATOM 125 N THR A 39 -8.680 -3.353 -3.043 1.00 0.00 N ATOM 126 CA THR A 39 -10.119 -3.398 -3.272 1.00 0.00 C ATOM 127 C THR A 39 -10.764 -2.049 -2.976 1.00 0.00 C ATOM 128 O THR A 39 -10.320 -1.318 -2.091 1.00 0.00 O ATOM 129 CB THR A 39 -10.792 -4.478 -2.404 1.00 0.00 C ATOM 130 OG1 THR A 39 -12.179 -4.585 -2.744 1.00 0.00 O ATOM 131 CG2 THR A 39 -10.651 -4.149 -0.925 1.00 0.00 C ATOM 0 H THR A 39 -8.383 -2.656 -2.361 1.00 0.00 H new ATOM 0 HA THR A 39 -10.265 -3.645 -4.324 1.00 0.00 H new ATOM 0 HB THR A 39 -10.296 -5.429 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.600 -5.275 -2.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.134 -4.926 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.594 -4.097 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.124 -3.189 -0.719 1.00 0.00 H new ATOM 139 N ALA A 40 -11.815 -1.725 -3.722 1.00 0.00 N ATOM 140 CA ALA A 40 -12.524 -0.465 -3.537 1.00 0.00 C ATOM 141 C ALA A 40 -13.287 -0.452 -2.217 1.00 0.00 C ATOM 142 O ALA A 40 -14.060 -1.365 -1.927 1.00 0.00 O ATOM 143 CB ALA A 40 -13.473 -0.218 -4.700 1.00 0.00 C ATOM 0 H ALA A 40 -12.194 -2.318 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.786 0.337 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.996 0.726 -4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.906 -0.174 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.199 -1.029 -4.756 1.00 0.00 H new ATOM 149 N ARG A 41 -13.064 0.588 -1.420 1.00 0.00 N ATOM 150 CA ARG A 41 -13.730 0.717 -0.129 1.00 0.00 C ATOM 151 C ARG A 41 -13.908 2.186 0.246 1.00 0.00 C ATOM 152 O ARG A 41 -13.044 3.017 -0.032 1.00 0.00 O ATOM 153 CB ARG A 41 -12.929 -0.004 0.957 1.00 0.00 C ATOM 154 CG ARG A 41 -13.429 0.270 2.365 1.00 0.00 C ATOM 155 CD ARG A 41 -12.626 -0.501 3.401 1.00 0.00 C ATOM 156 NE ARG A 41 -12.932 -1.929 3.380 1.00 0.00 N ATOM 157 CZ ARG A 41 -13.073 -2.666 4.476 1.00 0.00 C ATOM 158 NH1 ARG A 41 -12.937 -2.114 5.673 1.00 0.00 N ATOM 159 NH2 ARG A 41 -13.352 -3.960 4.375 1.00 0.00 N ATOM 0 H ARG A 41 -12.428 1.353 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.715 0.258 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.964 -1.077 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.884 0.298 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.364 1.338 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.481 -0.006 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.562 -0.356 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.835 -0.100 4.393 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.043 -2.385 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.723 -1.120 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.046 -2.683 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.458 -4.389 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.460 -4.526 5.217 1.00 0.00 H new ATOM 173 N PHE A 42 -15.034 2.497 0.878 1.00 0.00 N ATOM 174 CA PHE A 42 -15.327 3.865 1.290 1.00 0.00 C ATOM 175 C PHE A 42 -14.500 4.254 2.512 1.00 0.00 C ATOM 176 O PHE A 42 -14.518 3.564 3.532 1.00 0.00 O ATOM 177 CB PHE A 42 -16.817 4.020 1.598 1.00 0.00 C ATOM 178 CG PHE A 42 -17.677 4.108 0.369 1.00 0.00 C ATOM 179 CD1 PHE A 42 -17.796 5.300 -0.326 1.00 0.00 C ATOM 180 CD2 PHE A 42 -18.367 2.997 -0.090 1.00 0.00 C ATOM 181 CE1 PHE A 42 -18.587 5.383 -1.456 1.00 0.00 C ATOM 182 CE2 PHE A 42 -19.159 3.074 -1.220 1.00 0.00 C ATOM 183 CZ PHE A 42 -19.269 4.268 -1.904 1.00 0.00 C ATOM 0 H PHE A 42 -15.759 1.820 1.116 1.00 0.00 H new ATOM 0 HA PHE A 42 -15.063 4.530 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.145 3.174 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.964 4.917 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.265 6.175 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -18.285 2.060 0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.672 6.319 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.691 2.201 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.887 4.330 -2.788 1.00 0.00 H new ATOM 193 N PHE A 43 -13.776 5.363 2.402 1.00 0.00 N ATOM 194 CA PHE A 43 -12.941 5.843 3.497 1.00 0.00 C ATOM 195 C PHE A 43 -13.403 7.218 3.969 1.00 0.00 C ATOM 196 O PHE A 43 -13.194 8.224 3.290 1.00 0.00 O ATOM 197 CB PHE A 43 -11.476 5.907 3.059 1.00 0.00 C ATOM 198 CG PHE A 43 -10.728 4.623 3.281 1.00 0.00 C ATOM 199 CD1 PHE A 43 -10.757 3.993 4.515 1.00 0.00 C ATOM 200 CD2 PHE A 43 -9.995 4.047 2.256 1.00 0.00 C ATOM 201 CE1 PHE A 43 -10.070 2.812 4.723 1.00 0.00 C ATOM 202 CE2 PHE A 43 -9.306 2.866 2.458 1.00 0.00 C ATOM 203 CZ PHE A 43 -9.343 2.248 3.693 1.00 0.00 C ATOM 0 H PHE A 43 -13.751 5.946 1.566 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.034 5.143 4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.432 6.166 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.977 6.708 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.323 4.430 5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.962 4.526 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.102 2.331 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.739 2.426 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.804 1.326 3.853 1.00 0.00 H new ATOM 213 N LYS A 44 -14.032 7.255 5.139 1.00 0.00 N ATOM 214 CA LYS A 44 -14.524 8.505 5.705 1.00 0.00 C ATOM 215 C LYS A 44 -13.379 9.321 6.297 1.00 0.00 C ATOM 216 O LYS A 44 -13.355 10.546 6.182 1.00 0.00 O ATOM 217 CB LYS A 44 -15.574 8.223 6.782 1.00 0.00 C ATOM 218 CG LYS A 44 -16.832 7.561 6.247 1.00 0.00 C ATOM 219 CD LYS A 44 -17.914 8.583 5.943 1.00 0.00 C ATOM 220 CE LYS A 44 -17.712 9.220 4.577 1.00 0.00 C ATOM 221 NZ LYS A 44 -16.999 10.524 4.672 1.00 0.00 N ATOM 0 H LYS A 44 -14.213 6.432 5.714 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.982 9.083 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.134 7.583 7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.845 9.161 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.593 7.002 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.204 6.842 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.891 8.102 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.911 9.357 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.144 8.541 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.680 9.370 4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.405 10.657 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.693 11.296 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.400 10.531 5.522 1.00 0.00 H new ATOM 235 N GLN A 45 -12.434 8.634 6.929 1.00 0.00 N ATOM 236 CA GLN A 45 -11.286 9.297 7.538 1.00 0.00 C ATOM 237 C GLN A 45 -10.117 9.367 6.562 1.00 0.00 C ATOM 238 O GLN A 45 -9.983 8.545 5.655 1.00 0.00 O ATOM 239 CB GLN A 45 -10.861 8.561 8.810 1.00 0.00 C ATOM 240 CG GLN A 45 -10.283 7.179 8.549 1.00 0.00 C ATOM 241 CD GLN A 45 -11.353 6.145 8.256 1.00 0.00 C ATOM 242 OE1 GLN A 45 -12.465 6.221 8.777 1.00 0.00 O ATOM 243 NE2 GLN A 45 -11.020 5.172 7.416 1.00 0.00 N ATOM 0 H GLN A 45 -12.440 7.619 7.033 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.581 10.314 7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.120 9.162 9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.723 8.466 9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.593 7.231 7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.704 6.862 9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.086 5.149 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.698 4.448 7.179 1.00 0.00 H new ATOM 252 N PRO A 46 -9.248 10.371 6.750 1.00 0.00 N ATOM 253 CA PRO A 46 -8.074 10.572 5.895 1.00 0.00 C ATOM 254 C PRO A 46 -7.018 9.491 6.098 1.00 0.00 C ATOM 255 O PRO A 46 -6.082 9.661 6.880 1.00 0.00 O ATOM 256 CB PRO A 46 -7.538 11.934 6.344 1.00 0.00 C ATOM 257 CG PRO A 46 -8.014 12.085 7.747 1.00 0.00 C ATOM 258 CD PRO A 46 -9.345 11.388 7.810 1.00 0.00 C ATOM 0 HA PRO A 46 -8.328 10.526 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.450 11.969 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.915 12.736 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.308 11.641 8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.111 13.137 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.516 10.935 8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.169 12.078 7.630 1.00 0.00 H new ATOM 266 N THR A 47 -7.173 8.379 5.387 1.00 0.00 N ATOM 267 CA THR A 47 -6.233 7.269 5.489 1.00 0.00 C ATOM 268 C THR A 47 -4.806 7.731 5.214 1.00 0.00 C ATOM 269 O THR A 47 -4.582 8.857 4.771 1.00 0.00 O ATOM 270 CB THR A 47 -6.592 6.137 4.509 1.00 0.00 C ATOM 271 OG1 THR A 47 -7.995 5.861 4.571 1.00 0.00 O ATOM 272 CG2 THR A 47 -5.807 4.874 4.830 1.00 0.00 C ATOM 0 H THR A 47 -7.941 8.223 4.734 1.00 0.00 H new ATOM 0 HA THR A 47 -6.300 6.891 6.509 1.00 0.00 H new ATOM 0 HB THR A 47 -6.331 6.462 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.267 5.367 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.077 4.088 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.739 5.080 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.041 4.548 5.843 1.00 0.00 H new ATOM 280 N PHE A 48 -3.844 6.853 5.480 1.00 0.00 N ATOM 281 CA PHE A 48 -2.438 7.171 5.261 1.00 0.00 C ATOM 282 C PHE A 48 -1.840 6.277 4.179 1.00 0.00 C ATOM 283 O PHE A 48 -1.759 5.059 4.339 1.00 0.00 O ATOM 284 CB PHE A 48 -1.649 7.013 6.563 1.00 0.00 C ATOM 285 CG PHE A 48 -0.186 7.319 6.418 1.00 0.00 C ATOM 286 CD1 PHE A 48 0.243 8.613 6.168 1.00 0.00 C ATOM 287 CD2 PHE A 48 0.761 6.314 6.533 1.00 0.00 C ATOM 288 CE1 PHE A 48 1.589 8.897 6.034 1.00 0.00 C ATOM 289 CE2 PHE A 48 2.108 6.593 6.400 1.00 0.00 C ATOM 290 CZ PHE A 48 2.523 7.886 6.151 1.00 0.00 C ATOM 0 H PHE A 48 -4.013 5.916 5.847 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.373 8.207 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.076 7.671 7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.764 5.992 6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.482 9.408 6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.443 5.301 6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.910 9.909 5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.836 5.800 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.575 8.106 6.048 1.00 0.00 H new ATOM 300 N CYS A 49 -1.423 6.891 3.077 1.00 0.00 N ATOM 301 CA CYS A 49 -0.833 6.152 1.966 1.00 0.00 C ATOM 302 C CYS A 49 0.588 5.708 2.302 1.00 0.00 C ATOM 303 O CYS A 49 1.491 6.533 2.440 1.00 0.00 O ATOM 304 CB CYS A 49 -0.825 7.013 0.702 1.00 0.00 C ATOM 305 SG CYS A 49 -0.245 6.140 -0.788 1.00 0.00 S ATOM 0 H CYS A 49 -1.482 7.898 2.929 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.440 5.264 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.834 7.385 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.190 7.882 0.871 1.00 0.00 H new ATOM 310 N SER A 50 0.778 4.399 2.432 1.00 0.00 N ATOM 311 CA SER A 50 2.087 3.845 2.755 1.00 0.00 C ATOM 312 C SER A 50 2.987 3.823 1.523 1.00 0.00 C ATOM 313 O SER A 50 3.746 2.877 1.311 1.00 0.00 O ATOM 314 CB SER A 50 1.941 2.430 3.318 1.00 0.00 C ATOM 315 OG SER A 50 1.589 2.462 4.691 1.00 0.00 O ATOM 0 H SER A 50 0.042 3.702 2.319 1.00 0.00 H new ATOM 0 HA SER A 50 2.548 4.483 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.180 1.888 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.877 1.886 3.192 1.00 0.00 H new ATOM 0 HG SER A 50 1.500 1.546 5.027 1.00 0.00 H new ATOM 321 N HIS A 51 2.894 4.872 0.712 1.00 0.00 N ATOM 322 CA HIS A 51 3.700 4.975 -0.500 1.00 0.00 C ATOM 323 C HIS A 51 4.303 6.370 -0.635 1.00 0.00 C ATOM 324 O HIS A 51 5.497 6.519 -0.894 1.00 0.00 O ATOM 325 CB HIS A 51 2.852 4.652 -1.730 1.00 0.00 C ATOM 326 CG HIS A 51 3.655 4.475 -2.982 1.00 0.00 C ATOM 327 ND1 HIS A 51 3.857 3.249 -3.580 1.00 0.00 N ATOM 328 CD2 HIS A 51 4.307 5.379 -3.750 1.00 0.00 C ATOM 329 CE1 HIS A 51 4.600 3.406 -4.661 1.00 0.00 C ATOM 330 NE2 HIS A 51 4.886 4.690 -4.787 1.00 0.00 N ATOM 0 H HIS A 51 2.269 5.662 0.872 1.00 0.00 H new ATOM 0 HA HIS A 51 4.513 4.253 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.284 3.741 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.128 5.453 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.362 6.444 -3.579 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.919 2.619 -5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.446 5.102 -5.533 1.00 0.00 H new ATOM 338 N CYS A 52 3.469 7.389 -0.458 1.00 0.00 N ATOM 339 CA CYS A 52 3.918 8.772 -0.561 1.00 0.00 C ATOM 340 C CYS A 52 3.684 9.519 0.749 1.00 0.00 C ATOM 341 O CYS A 52 3.535 10.742 0.763 1.00 0.00 O ATOM 342 CB CYS A 52 3.189 9.483 -1.703 1.00 0.00 C ATOM 343 SG CYS A 52 1.373 9.417 -1.582 1.00 0.00 S ATOM 0 H CYS A 52 2.478 7.283 -0.242 1.00 0.00 H new ATOM 0 HA CYS A 52 4.988 8.766 -0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.503 10.527 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.496 9.037 -2.649 1.00 0.00 H new ATOM 348 N THR A 53 3.654 8.775 1.851 1.00 0.00 N ATOM 349 CA THR A 53 3.438 9.365 3.166 1.00 0.00 C ATOM 350 C THR A 53 2.452 10.526 3.092 1.00 0.00 C ATOM 351 O THR A 53 2.727 11.619 3.588 1.00 0.00 O ATOM 352 CB THR A 53 4.758 9.867 3.780 1.00 0.00 C ATOM 353 OG1 THR A 53 5.391 10.794 2.892 1.00 0.00 O ATOM 354 CG2 THR A 53 5.699 8.705 4.063 1.00 0.00 C ATOM 0 H THR A 53 3.777 7.762 1.858 1.00 0.00 H new ATOM 0 HA THR A 53 3.026 8.581 3.801 1.00 0.00 H new ATOM 0 HB THR A 53 4.528 10.366 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.229 11.109 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.625 9.084 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.226 8.016 4.763 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.921 8.182 3.133 1.00 0.00 H new ATOM 362 N ASP A 54 1.303 10.281 2.472 1.00 0.00 N ATOM 363 CA ASP A 54 0.274 11.306 2.336 1.00 0.00 C ATOM 364 C ASP A 54 -1.063 10.808 2.875 1.00 0.00 C ATOM 365 O ASP A 54 -1.213 9.631 3.203 1.00 0.00 O ATOM 366 CB ASP A 54 0.126 11.718 0.870 1.00 0.00 C ATOM 367 CG ASP A 54 -0.755 12.940 0.699 1.00 0.00 C ATOM 368 OD1 ASP A 54 -0.302 14.051 1.043 1.00 0.00 O ATOM 369 OD2 ASP A 54 -1.897 12.784 0.219 1.00 0.00 O ATOM 0 H ASP A 54 1.060 9.382 2.056 1.00 0.00 H new ATOM 0 HA ASP A 54 0.580 12.174 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.112 11.923 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.295 10.888 0.303 1.00 0.00 H new ATOM 374 N PHE A 55 -2.033 11.713 2.964 1.00 0.00 N ATOM 375 CA PHE A 55 -3.358 11.366 3.465 1.00 0.00 C ATOM 376 C PHE A 55 -4.338 11.161 2.314 1.00 0.00 C ATOM 377 O PHE A 55 -4.187 11.749 1.243 1.00 0.00 O ATOM 378 CB PHE A 55 -3.875 12.462 4.401 1.00 0.00 C ATOM 379 CG PHE A 55 -2.975 12.720 5.576 1.00 0.00 C ATOM 380 CD1 PHE A 55 -1.874 13.551 5.453 1.00 0.00 C ATOM 381 CD2 PHE A 55 -3.232 12.130 6.804 1.00 0.00 C ATOM 382 CE1 PHE A 55 -1.045 13.791 6.532 1.00 0.00 C ATOM 383 CE2 PHE A 55 -2.406 12.367 7.887 1.00 0.00 C ATOM 384 CZ PHE A 55 -1.311 13.197 7.751 1.00 0.00 C ATOM 0 H PHE A 55 -1.926 12.691 2.696 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.276 10.432 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.994 13.386 3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.863 12.181 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.661 14.017 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.086 11.479 6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.190 14.442 6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.617 11.903 8.839 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.664 13.382 8.596 1.00 0.00 H new ATOM 394 N ILE A 56 -5.342 10.321 2.544 1.00 0.00 N ATOM 395 CA ILE A 56 -6.348 10.038 1.527 1.00 0.00 C ATOM 396 C ILE A 56 -7.721 10.541 1.957 1.00 0.00 C ATOM 397 O ILE A 56 -8.461 9.841 2.648 1.00 0.00 O ATOM 398 CB ILE A 56 -6.436 8.530 1.228 1.00 0.00 C ATOM 399 CG1 ILE A 56 -5.080 8.001 0.757 1.00 0.00 C ATOM 400 CG2 ILE A 56 -7.508 8.259 0.182 1.00 0.00 C ATOM 401 CD1 ILE A 56 -4.842 6.549 1.111 1.00 0.00 C ATOM 0 H ILE A 56 -5.480 9.825 3.424 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.039 10.562 0.623 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.710 8.008 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.008 8.120 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.289 8.608 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.558 7.189 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.473 8.604 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.261 8.789 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.862 6.242 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.881 6.427 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.611 5.931 0.648 1.00 0.00 H new ATOM 413 N TRP A 57 -8.056 11.757 1.542 1.00 0.00 N ATOM 414 CA TRP A 57 -9.343 12.354 1.882 1.00 0.00 C ATOM 415 C TRP A 57 -9.873 13.201 0.731 1.00 0.00 C ATOM 416 O TRP A 57 -9.226 13.326 -0.309 1.00 0.00 O ATOM 417 CB TRP A 57 -9.214 13.209 3.144 1.00 0.00 C ATOM 418 CG TRP A 57 -8.852 14.636 2.859 1.00 0.00 C ATOM 419 CD1 TRP A 57 -9.682 15.719 2.916 1.00 0.00 C ATOM 420 CD2 TRP A 57 -7.566 15.133 2.471 1.00 0.00 C ATOM 421 NE1 TRP A 57 -8.990 16.859 2.587 1.00 0.00 N ATOM 422 CE2 TRP A 57 -7.690 16.527 2.311 1.00 0.00 C ATOM 423 CE3 TRP A 57 -6.323 14.537 2.246 1.00 0.00 C ATOM 424 CZ2 TRP A 57 -6.617 17.331 1.935 1.00 0.00 C ATOM 425 CZ3 TRP A 57 -5.259 15.336 1.873 1.00 0.00 C ATOM 426 CH2 TRP A 57 -5.411 16.720 1.721 1.00 0.00 C ATOM 0 H TRP A 57 -7.455 12.349 0.969 1.00 0.00 H new ATOM 0 HA TRP A 57 -10.051 11.547 2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.157 13.183 3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.456 12.772 3.795 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -10.728 15.684 3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -9.381 17.801 2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -6.196 13.471 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.732 18.398 1.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.294 14.885 1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.560 17.317 1.429 1.00 0.00 H new ATOM 437 N GLY A 58 -11.053 13.781 0.922 1.00 0.00 N ATOM 438 CA GLY A 58 -11.649 14.609 -0.110 1.00 0.00 C ATOM 439 C GLY A 58 -12.531 13.815 -1.053 1.00 0.00 C ATOM 440 O GLY A 58 -12.081 12.850 -1.670 1.00 0.00 O ATOM 0 H GLY A 58 -11.608 13.692 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.239 15.398 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.859 15.097 -0.681 1.00 0.00 H new ATOM 444 N ILE A 59 -13.792 14.221 -1.163 1.00 0.00 N ATOM 445 CA ILE A 59 -14.739 13.539 -2.036 1.00 0.00 C ATOM 446 C ILE A 59 -14.076 13.118 -3.343 1.00 0.00 C ATOM 447 O ILE A 59 -13.332 13.887 -3.950 1.00 0.00 O ATOM 448 CB ILE A 59 -15.954 14.432 -2.354 1.00 0.00 C ATOM 449 CG1 ILE A 59 -15.579 15.489 -3.395 1.00 0.00 C ATOM 450 CG2 ILE A 59 -16.474 15.090 -1.085 1.00 0.00 C ATOM 451 CD1 ILE A 59 -14.460 16.404 -2.950 1.00 0.00 C ATOM 0 H ILE A 59 -14.181 15.018 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.080 12.652 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.747 13.809 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.284 14.990 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -16.459 16.090 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -17.332 15.718 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -16.775 14.321 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -15.688 15.704 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.247 17.128 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -14.759 16.931 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.566 15.814 -2.748 1.00 0.00 H new ATOM 463 N GLY A 60 -14.354 11.890 -3.773 1.00 0.00 N ATOM 464 CA GLY A 60 -13.778 11.388 -5.006 1.00 0.00 C ATOM 465 C GLY A 60 -12.466 10.663 -4.781 1.00 0.00 C ATOM 466 O GLY A 60 -12.232 9.596 -5.349 1.00 0.00 O ATOM 0 H GLY A 60 -14.968 11.235 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.486 10.711 -5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.617 12.219 -5.693 1.00 0.00 H new ATOM 470 N LYS A 61 -11.607 11.243 -3.950 1.00 0.00 N ATOM 471 CA LYS A 61 -10.311 10.647 -3.650 1.00 0.00 C ATOM 472 C LYS A 61 -10.457 9.499 -2.656 1.00 0.00 C ATOM 473 O LYS A 61 -10.640 9.722 -1.460 1.00 0.00 O ATOM 474 CB LYS A 61 -9.358 11.704 -3.087 1.00 0.00 C ATOM 475 CG LYS A 61 -8.027 11.138 -2.622 1.00 0.00 C ATOM 476 CD LYS A 61 -6.960 12.216 -2.542 1.00 0.00 C ATOM 477 CE LYS A 61 -5.571 11.644 -2.779 1.00 0.00 C ATOM 478 NZ LYS A 61 -4.517 12.442 -2.092 1.00 0.00 N ATOM 0 H LYS A 61 -11.785 12.126 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.898 10.251 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.175 12.460 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.841 12.208 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.150 10.673 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.704 10.355 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.167 12.990 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.996 12.693 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.537 10.614 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.367 11.618 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.725 11.820 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.176 13.189 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.913 12.874 -1.233 1.00 0.00 H new ATOM 492 N GLN A 62 -10.372 8.272 -3.160 1.00 0.00 N ATOM 493 CA GLN A 62 -10.494 7.090 -2.315 1.00 0.00 C ATOM 494 C GLN A 62 -9.198 6.286 -2.313 1.00 0.00 C ATOM 495 O GLN A 62 -8.272 6.580 -3.068 1.00 0.00 O ATOM 496 CB GLN A 62 -11.652 6.212 -2.795 1.00 0.00 C ATOM 497 CG GLN A 62 -13.023 6.810 -2.521 1.00 0.00 C ATOM 498 CD GLN A 62 -14.082 6.302 -3.479 1.00 0.00 C ATOM 499 OE1 GLN A 62 -13.777 5.889 -4.598 1.00 0.00 O ATOM 500 NE2 GLN A 62 -15.336 6.330 -3.044 1.00 0.00 N ATOM 0 H GLN A 62 -10.219 8.071 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.696 7.421 -1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.547 6.040 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.585 5.239 -2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.320 6.575 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.963 7.896 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.544 6.681 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.092 6.001 -3.645 1.00 0.00 H new ATOM 509 N GLY A 63 -9.139 5.270 -1.458 1.00 0.00 N ATOM 510 CA GLY A 63 -7.952 4.440 -1.373 1.00 0.00 C ATOM 511 C GLY A 63 -8.273 2.960 -1.443 1.00 0.00 C ATOM 512 O GLY A 63 -9.441 2.571 -1.471 1.00 0.00 O ATOM 0 H GLY A 63 -9.892 5.007 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.272 4.700 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.430 4.652 -0.440 1.00 0.00 H new ATOM 516 N LEU A 64 -7.235 2.132 -1.472 1.00 0.00 N ATOM 517 CA LEU A 64 -7.411 0.685 -1.541 1.00 0.00 C ATOM 518 C LEU A 64 -6.598 -0.015 -0.457 1.00 0.00 C ATOM 519 O LEU A 64 -5.368 -0.029 -0.503 1.00 0.00 O ATOM 520 CB LEU A 64 -6.998 0.166 -2.919 1.00 0.00 C ATOM 521 CG LEU A 64 -7.624 0.878 -4.120 1.00 0.00 C ATOM 522 CD1 LEU A 64 -6.695 0.813 -5.322 1.00 0.00 C ATOM 523 CD2 LEU A 64 -8.978 0.270 -4.455 1.00 0.00 C ATOM 0 H LEU A 64 -6.262 2.437 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.466 0.464 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.914 0.240 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.251 -0.893 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.774 1.926 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.157 1.324 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.749 1.297 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.512 -0.229 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.408 0.789 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.853 -0.786 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.644 0.371 -3.598 1.00 0.00 H new ATOM 535 N GLN A 65 -7.293 -0.596 0.515 1.00 0.00 N ATOM 536 CA GLN A 65 -6.635 -1.299 1.610 1.00 0.00 C ATOM 537 C GLN A 65 -6.406 -2.764 1.255 1.00 0.00 C ATOM 538 O GLN A 65 -7.308 -3.445 0.766 1.00 0.00 O ATOM 539 CB GLN A 65 -7.471 -1.195 2.887 1.00 0.00 C ATOM 540 CG GLN A 65 -6.705 -1.565 4.147 1.00 0.00 C ATOM 541 CD GLN A 65 -6.116 -0.356 4.847 1.00 0.00 C ATOM 542 OE1 GLN A 65 -6.813 0.626 5.107 1.00 0.00 O ATOM 543 NE2 GLN A 65 -4.827 -0.421 5.158 1.00 0.00 N ATOM 0 H GLN A 65 -8.312 -0.594 0.567 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.666 -0.829 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.844 -0.176 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.341 -1.846 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.372 -2.088 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.904 -2.258 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.287 -1.254 4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.376 0.362 5.631 1.00 0.00 H new ATOM 552 N CYS A 66 -5.192 -3.246 1.505 1.00 0.00 N ATOM 553 CA CYS A 66 -4.843 -4.630 1.212 1.00 0.00 C ATOM 554 C CYS A 66 -5.335 -5.561 2.317 1.00 0.00 C ATOM 555 O CYS A 66 -5.102 -5.312 3.499 1.00 0.00 O ATOM 556 CB CYS A 66 -3.329 -4.772 1.046 1.00 0.00 C ATOM 557 SG CYS A 66 -2.768 -6.484 0.775 1.00 0.00 S ATOM 0 H CYS A 66 -4.434 -2.697 1.910 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.332 -4.912 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.007 -4.158 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.838 -4.377 1.935 1.00 0.00 H new ATOM 562 N GLN A 67 -6.015 -6.632 1.922 1.00 0.00 N ATOM 563 CA GLN A 67 -6.539 -7.599 2.879 1.00 0.00 C ATOM 564 C GLN A 67 -5.470 -8.615 3.267 1.00 0.00 C ATOM 565 O GLN A 67 -5.777 -9.764 3.586 1.00 0.00 O ATOM 566 CB GLN A 67 -7.755 -8.320 2.293 1.00 0.00 C ATOM 567 CG GLN A 67 -8.839 -7.377 1.795 1.00 0.00 C ATOM 568 CD GLN A 67 -9.450 -6.549 2.908 1.00 0.00 C ATOM 569 OE1 GLN A 67 -9.310 -5.326 2.936 1.00 0.00 O ATOM 570 NE2 GLN A 67 -10.132 -7.213 3.833 1.00 0.00 N ATOM 0 H GLN A 67 -6.216 -6.852 0.947 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.842 -7.058 3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.429 -8.953 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.178 -8.978 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.418 -6.711 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.622 -7.956 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.223 -8.227 3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.566 -6.709 4.607 1.00 0.00 H new ATOM 579 N VAL A 68 -4.213 -8.184 3.239 1.00 0.00 N ATOM 580 CA VAL A 68 -3.098 -9.056 3.589 1.00 0.00 C ATOM 581 C VAL A 68 -2.153 -8.372 4.571 1.00 0.00 C ATOM 582 O VAL A 68 -1.938 -8.857 5.683 1.00 0.00 O ATOM 583 CB VAL A 68 -2.303 -9.480 2.340 1.00 0.00 C ATOM 584 CG1 VAL A 68 -1.216 -10.477 2.711 1.00 0.00 C ATOM 585 CG2 VAL A 68 -3.235 -10.062 1.288 1.00 0.00 C ATOM 0 H VAL A 68 -3.941 -7.236 2.978 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.525 -9.943 4.057 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.823 -8.596 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.665 -10.765 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.532 -10.020 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.671 -11.362 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.657 -10.356 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.745 -10.935 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.972 -9.313 1.001 1.00 0.00 H new ATOM 595 N CYS A 69 -1.591 -7.242 4.154 1.00 0.00 N ATOM 596 CA CYS A 69 -0.669 -6.490 4.996 1.00 0.00 C ATOM 597 C CYS A 69 -1.248 -5.124 5.351 1.00 0.00 C ATOM 598 O CYS A 69 -0.509 -4.172 5.605 1.00 0.00 O ATOM 599 CB CYS A 69 0.677 -6.319 4.288 1.00 0.00 C ATOM 600 SG CYS A 69 0.554 -5.580 2.627 1.00 0.00 S ATOM 0 H CYS A 69 -1.758 -6.827 3.237 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.518 -7.051 5.918 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.323 -5.695 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.159 -7.293 4.206 1.00 0.00 H new ATOM 605 N SER A 70 -2.574 -5.035 5.367 1.00 0.00 N ATOM 606 CA SER A 70 -3.252 -3.784 5.687 1.00 0.00 C ATOM 607 C SER A 70 -2.550 -2.601 5.027 1.00 0.00 C ATOM 608 O SER A 70 -2.552 -1.489 5.556 1.00 0.00 O ATOM 609 CB SER A 70 -3.304 -3.580 7.202 1.00 0.00 C ATOM 610 OG SER A 70 -4.030 -4.621 7.832 1.00 0.00 O ATOM 0 H SER A 70 -3.200 -5.814 5.162 1.00 0.00 H new ATOM 0 HA SER A 70 -4.269 -3.842 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.291 -3.545 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.769 -2.620 7.427 1.00 0.00 H new ATOM 0 HG SER A 70 -4.047 -4.468 8.800 1.00 0.00 H new ATOM 616 N PHE A 71 -1.951 -2.849 3.867 1.00 0.00 N ATOM 617 CA PHE A 71 -1.244 -1.805 3.133 1.00 0.00 C ATOM 618 C PHE A 71 -2.194 -1.054 2.205 1.00 0.00 C ATOM 619 O PHE A 71 -2.618 -1.578 1.175 1.00 0.00 O ATOM 620 CB PHE A 71 -0.095 -2.410 2.324 1.00 0.00 C ATOM 621 CG PHE A 71 0.784 -1.383 1.671 1.00 0.00 C ATOM 622 CD1 PHE A 71 0.457 -0.861 0.429 1.00 0.00 C ATOM 623 CD2 PHE A 71 1.938 -0.939 2.297 1.00 0.00 C ATOM 624 CE1 PHE A 71 1.264 0.085 -0.175 1.00 0.00 C ATOM 625 CE2 PHE A 71 2.748 0.007 1.698 1.00 0.00 C ATOM 626 CZ PHE A 71 2.411 0.519 0.460 1.00 0.00 C ATOM 0 H PHE A 71 -1.941 -3.763 3.415 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.837 -1.099 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.513 -3.032 2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.507 -3.065 1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.438 -1.197 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.207 -1.337 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.998 0.484 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.644 0.346 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.043 1.257 -0.010 1.00 0.00 H new ATOM 636 N VAL A 72 -2.525 0.178 2.578 1.00 0.00 N ATOM 637 CA VAL A 72 -3.424 1.003 1.780 1.00 0.00 C ATOM 638 C VAL A 72 -2.668 2.136 1.096 1.00 0.00 C ATOM 639 O VAL A 72 -1.782 2.753 1.688 1.00 0.00 O ATOM 640 CB VAL A 72 -4.552 1.601 2.643 1.00 0.00 C ATOM 641 CG1 VAL A 72 -3.974 2.458 3.758 1.00 0.00 C ATOM 642 CG2 VAL A 72 -5.510 2.408 1.781 1.00 0.00 C ATOM 0 H VAL A 72 -2.184 0.627 3.428 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.862 0.353 1.023 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.110 0.783 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.785 2.872 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.331 1.846 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.390 3.271 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.300 2.823 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.967 3.219 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.950 1.761 1.022 1.00 0.00 H new ATOM 652 N VAL A 73 -3.024 2.406 -0.156 1.00 0.00 N ATOM 653 CA VAL A 73 -2.381 3.467 -0.922 1.00 0.00 C ATOM 654 C VAL A 73 -3.253 3.906 -2.093 1.00 0.00 C ATOM 655 O VAL A 73 -4.021 3.114 -2.640 1.00 0.00 O ATOM 656 CB VAL A 73 -1.008 3.018 -1.459 1.00 0.00 C ATOM 657 CG1 VAL A 73 -0.090 2.622 -0.312 1.00 0.00 C ATOM 658 CG2 VAL A 73 -1.171 1.870 -2.444 1.00 0.00 C ATOM 0 H VAL A 73 -3.754 1.904 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.241 4.308 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.551 3.856 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.875 2.308 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.052 3.475 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.538 1.799 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.192 1.566 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.649 1.027 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.790 2.194 -3.281 1.00 0.00 H new ATOM 668 N HIS A 74 -3.129 5.173 -2.474 1.00 0.00 N ATOM 669 CA HIS A 74 -3.905 5.718 -3.582 1.00 0.00 C ATOM 670 C HIS A 74 -4.012 4.708 -4.720 1.00 0.00 C ATOM 671 O HIS A 74 -3.228 3.762 -4.798 1.00 0.00 O ATOM 672 CB HIS A 74 -3.268 7.012 -4.091 1.00 0.00 C ATOM 673 CG HIS A 74 -3.060 8.039 -3.021 1.00 0.00 C ATOM 674 ND1 HIS A 74 -1.812 8.442 -2.597 1.00 0.00 N ATOM 675 CD2 HIS A 74 -3.952 8.748 -2.289 1.00 0.00 C ATOM 676 CE1 HIS A 74 -1.944 9.353 -1.649 1.00 0.00 C ATOM 677 NE2 HIS A 74 -3.233 9.557 -1.444 1.00 0.00 N ATOM 0 H HIS A 74 -2.498 5.842 -2.032 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.909 5.935 -3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.307 6.778 -4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.900 7.436 -4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.028 8.688 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.136 9.847 -1.130 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.630 10.210 -0.768 1.00 0.00 H new ATOM 685 N ARG A 75 -4.987 4.914 -5.599 1.00 0.00 N ATOM 686 CA ARG A 75 -5.197 4.020 -6.731 1.00 0.00 C ATOM 687 C ARG A 75 -3.986 4.022 -7.658 1.00 0.00 C ATOM 688 O ARG A 75 -3.609 2.987 -8.207 1.00 0.00 O ATOM 689 CB ARG A 75 -6.449 4.433 -7.508 1.00 0.00 C ATOM 690 CG ARG A 75 -7.748 4.021 -6.834 1.00 0.00 C ATOM 691 CD ARG A 75 -8.877 3.878 -7.842 1.00 0.00 C ATOM 692 NE ARG A 75 -9.080 5.101 -8.615 1.00 0.00 N ATOM 693 CZ ARG A 75 -10.233 5.426 -9.188 1.00 0.00 C ATOM 694 NH1 ARG A 75 -11.282 4.623 -9.075 1.00 0.00 N ATOM 695 NH2 ARG A 75 -10.340 6.556 -9.874 1.00 0.00 N ATOM 0 H ARG A 75 -5.644 5.692 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.334 3.010 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.445 5.515 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.410 3.992 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.604 3.076 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.021 4.763 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.655 3.054 -8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.799 3.622 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.292 5.741 -8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.204 3.754 -8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.167 4.875 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.536 7.177 -9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.226 6.804 -10.313 1.00 0.00 H new ATOM 709 N ARG A 76 -3.379 5.193 -7.828 1.00 0.00 N ATOM 710 CA ARG A 76 -2.212 5.330 -8.690 1.00 0.00 C ATOM 711 C ARG A 76 -0.979 4.713 -8.037 1.00 0.00 C ATOM 712 O ARG A 76 -0.212 3.999 -8.685 1.00 0.00 O ATOM 713 CB ARG A 76 -1.952 6.805 -9.001 1.00 0.00 C ATOM 714 CG ARG A 76 -1.737 7.661 -7.764 1.00 0.00 C ATOM 715 CD ARG A 76 -1.284 9.066 -8.129 1.00 0.00 C ATOM 716 NE ARG A 76 0.130 9.108 -8.491 1.00 0.00 N ATOM 717 CZ ARG A 76 0.574 8.971 -9.736 1.00 0.00 C ATOM 718 NH1 ARG A 76 -0.281 8.784 -10.731 1.00 0.00 N ATOM 719 NH2 ARG A 76 1.876 9.021 -9.986 1.00 0.00 N ATOM 0 H ARG A 76 -3.677 6.060 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.414 4.799 -9.620 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.074 6.883 -9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.796 7.203 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.663 7.714 -7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.991 7.193 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.883 9.435 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.463 9.735 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 76 0.814 9.250 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.283 8.745 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.063 8.679 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.537 9.165 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.216 8.916 -10.942 1.00 0.00 H new ATOM 733 N CYS A 77 -0.793 4.992 -6.751 1.00 0.00 N ATOM 734 CA CYS A 77 0.346 4.466 -6.010 1.00 0.00 C ATOM 735 C CYS A 77 0.328 2.940 -5.996 1.00 0.00 C ATOM 736 O CYS A 77 1.375 2.296 -5.912 1.00 0.00 O ATOM 737 CB CYS A 77 0.340 5.000 -4.577 1.00 0.00 C ATOM 738 SG CYS A 77 0.849 6.743 -4.431 1.00 0.00 S ATOM 0 H CYS A 77 -1.418 5.581 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 77 1.256 4.797 -6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.663 4.890 -4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.005 4.386 -3.969 1.00 0.00 H new ATOM 743 N HIS A 78 -0.869 2.367 -6.078 1.00 0.00 N ATOM 744 CA HIS A 78 -1.024 0.917 -6.076 1.00 0.00 C ATOM 745 C HIS A 78 -0.035 0.263 -7.036 1.00 0.00 C ATOM 746 O HIS A 78 0.942 -0.353 -6.611 1.00 0.00 O ATOM 747 CB HIS A 78 -2.454 0.535 -6.460 1.00 0.00 C ATOM 748 CG HIS A 78 -2.590 -0.880 -6.932 1.00 0.00 C ATOM 749 ND1 HIS A 78 -1.616 -1.836 -6.736 1.00 0.00 N ATOM 750 CD2 HIS A 78 -3.595 -1.499 -7.594 1.00 0.00 C ATOM 751 CE1 HIS A 78 -2.015 -2.981 -7.258 1.00 0.00 C ATOM 752 NE2 HIS A 78 -3.213 -2.805 -7.785 1.00 0.00 N ATOM 0 H HIS A 78 -1.745 2.885 -6.147 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.818 0.556 -5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.105 0.686 -5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.802 1.206 -7.245 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.524 -1.050 -7.913 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.456 -3.905 -7.255 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -3.765 -3.522 -8.257 1.00 0.00 H new ATOM 760 N GLU A 79 -0.297 0.401 -8.332 1.00 0.00 N ATOM 761 CA GLU A 79 0.570 -0.178 -9.352 1.00 0.00 C ATOM 762 C GLU A 79 2.032 0.163 -9.081 1.00 0.00 C ATOM 763 O GLU A 79 2.902 -0.708 -9.116 1.00 0.00 O ATOM 764 CB GLU A 79 0.167 0.322 -10.740 1.00 0.00 C ATOM 765 CG GLU A 79 0.296 1.827 -10.906 1.00 0.00 C ATOM 766 CD GLU A 79 -0.300 2.324 -12.209 1.00 0.00 C ATOM 767 OE1 GLU A 79 -1.391 1.844 -12.582 1.00 0.00 O ATOM 768 OE2 GLU A 79 0.324 3.192 -12.854 1.00 0.00 O ATOM 0 H GLU A 79 -1.102 0.908 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 79 0.455 -1.261 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.786 -0.172 -11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.865 0.030 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.199 2.324 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.349 2.104 -10.864 1.00 0.00 H new ATOM 775 N PHE A 80 2.296 1.438 -8.811 1.00 0.00 N ATOM 776 CA PHE A 80 3.652 1.896 -8.535 1.00 0.00 C ATOM 777 C PHE A 80 4.316 1.025 -7.473 1.00 0.00 C ATOM 778 O PHE A 80 5.487 0.666 -7.590 1.00 0.00 O ATOM 779 CB PHE A 80 3.637 3.356 -8.077 1.00 0.00 C ATOM 780 CG PHE A 80 3.518 4.338 -9.207 1.00 0.00 C ATOM 781 CD1 PHE A 80 4.495 4.408 -10.187 1.00 0.00 C ATOM 782 CD2 PHE A 80 2.429 5.191 -9.290 1.00 0.00 C ATOM 783 CE1 PHE A 80 4.389 5.310 -11.229 1.00 0.00 C ATOM 784 CE2 PHE A 80 2.317 6.095 -10.329 1.00 0.00 C ATOM 785 CZ PHE A 80 3.299 6.155 -11.299 1.00 0.00 C ATOM 0 H PHE A 80 1.588 2.172 -8.778 1.00 0.00 H new ATOM 0 HA PHE A 80 4.229 1.817 -9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.805 3.504 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.551 3.563 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.350 3.750 -10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.659 5.149 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.157 5.354 -11.987 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.463 6.754 -10.383 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.214 6.862 -12.111 1.00 0.00 H new ATOM 795 N VAL A 81 3.557 0.688 -6.434 1.00 0.00 N ATOM 796 CA VAL A 81 4.070 -0.141 -5.350 1.00 0.00 C ATOM 797 C VAL A 81 4.963 -1.255 -5.885 1.00 0.00 C ATOM 798 O VAL A 81 4.518 -2.108 -6.653 1.00 0.00 O ATOM 799 CB VAL A 81 2.925 -0.765 -4.531 1.00 0.00 C ATOM 800 CG1 VAL A 81 3.479 -1.640 -3.417 1.00 0.00 C ATOM 801 CG2 VAL A 81 2.020 0.321 -3.967 1.00 0.00 C ATOM 0 H VAL A 81 2.585 0.977 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 81 4.656 0.511 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 81 2.330 -1.395 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.655 -2.072 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.081 -2.440 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.099 -1.036 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.216 -0.138 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.600 0.979 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.594 0.901 -4.786 1.00 0.00 H new ATOM 811 N THR A 82 6.227 -1.242 -5.474 1.00 0.00 N ATOM 812 CA THR A 82 7.184 -2.250 -5.912 1.00 0.00 C ATOM 813 C THR A 82 7.310 -3.371 -4.886 1.00 0.00 C ATOM 814 O THR A 82 7.421 -4.544 -5.243 1.00 0.00 O ATOM 815 CB THR A 82 8.574 -1.636 -6.158 1.00 0.00 C ATOM 816 OG1 THR A 82 9.490 -2.651 -6.585 1.00 0.00 O ATOM 817 CG2 THR A 82 9.102 -0.968 -4.897 1.00 0.00 C ATOM 0 H THR A 82 6.612 -0.544 -4.838 1.00 0.00 H new ATOM 0 HA THR A 82 6.805 -2.659 -6.849 1.00 0.00 H new ATOM 0 HB THR A 82 8.480 -0.881 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.371 -2.252 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.085 -0.542 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.418 -0.176 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.181 -1.707 -4.100 1.00 0.00 H new ATOM 825 N PHE A 83 7.293 -3.002 -3.609 1.00 0.00 N ATOM 826 CA PHE A 83 7.406 -3.977 -2.531 1.00 0.00 C ATOM 827 C PHE A 83 6.547 -5.205 -2.815 1.00 0.00 C ATOM 828 O PHE A 83 5.594 -5.142 -3.591 1.00 0.00 O ATOM 829 CB PHE A 83 6.991 -3.347 -1.199 1.00 0.00 C ATOM 830 CG PHE A 83 6.706 -4.355 -0.123 1.00 0.00 C ATOM 831 CD1 PHE A 83 7.742 -4.959 0.571 1.00 0.00 C ATOM 832 CD2 PHE A 83 5.402 -4.698 0.196 1.00 0.00 C ATOM 833 CE1 PHE A 83 7.483 -5.886 1.563 1.00 0.00 C ATOM 834 CE2 PHE A 83 5.137 -5.624 1.187 1.00 0.00 C ATOM 835 CZ PHE A 83 6.179 -6.220 1.870 1.00 0.00 C ATOM 0 H PHE A 83 7.202 -2.035 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 83 8.448 -4.291 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.783 -2.679 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.103 -2.735 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.764 -4.702 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.583 -4.236 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.300 -6.349 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.116 -5.881 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 83 5.974 -6.946 2.643 1.00 0.00 H new ATOM 845 N GLU A 84 6.892 -6.322 -2.181 1.00 0.00 N ATOM 846 CA GLU A 84 6.153 -7.565 -2.368 1.00 0.00 C ATOM 847 C GLU A 84 5.379 -7.932 -1.105 1.00 0.00 C ATOM 848 O GLU A 84 5.958 -8.069 -0.026 1.00 0.00 O ATOM 849 CB GLU A 84 7.108 -8.701 -2.743 1.00 0.00 C ATOM 850 CG GLU A 84 7.352 -8.822 -4.237 1.00 0.00 C ATOM 851 CD GLU A 84 8.441 -7.888 -4.729 1.00 0.00 C ATOM 852 OE1 GLU A 84 8.319 -6.666 -4.503 1.00 0.00 O ATOM 853 OE2 GLU A 84 9.414 -8.379 -5.338 1.00 0.00 O ATOM 0 H GLU A 84 7.678 -6.391 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 84 5.441 -7.416 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.062 -8.544 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.703 -9.642 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.626 -9.850 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.426 -8.607 -4.771 1.00 0.00 H new ATOM 860 N CYS A 85 4.068 -8.091 -1.247 1.00 0.00 N ATOM 861 CA CYS A 85 3.213 -8.441 -0.119 1.00 0.00 C ATOM 862 C CYS A 85 3.793 -9.619 0.658 1.00 0.00 C ATOM 863 O CYS A 85 4.216 -10.625 0.087 1.00 0.00 O ATOM 864 CB CYS A 85 1.804 -8.783 -0.608 1.00 0.00 C ATOM 865 SG CYS A 85 0.523 -8.678 0.684 1.00 0.00 S ATOM 0 H CYS A 85 3.574 -7.983 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 85 3.161 -7.580 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.540 -8.108 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.809 -9.793 -1.019 1.00 0.00 H new ATOM 870 N PRO A 86 3.815 -9.493 1.993 1.00 0.00 N ATOM 871 CA PRO A 86 4.340 -10.537 2.878 1.00 0.00 C ATOM 872 C PRO A 86 3.447 -11.772 2.911 1.00 0.00 C ATOM 873 O PRO A 86 3.930 -12.896 3.051 1.00 0.00 O ATOM 874 CB PRO A 86 4.366 -9.859 4.251 1.00 0.00 C ATOM 875 CG PRO A 86 3.324 -8.798 4.168 1.00 0.00 C ATOM 876 CD PRO A 86 3.328 -8.322 2.742 1.00 0.00 C ATOM 0 HA PRO A 86 5.314 -10.899 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.145 -10.569 5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.347 -9.435 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.345 -9.190 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.545 -7.980 4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.332 -8.022 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.981 -7.459 2.608 1.00 0.00 H new ATOM 884 N GLY A 87 2.141 -11.557 2.782 1.00 0.00 N ATOM 885 CA GLY A 87 1.202 -12.663 2.800 1.00 0.00 C ATOM 886 C GLY A 87 0.990 -13.266 1.425 1.00 0.00 C ATOM 887 O GLY A 87 1.166 -14.469 1.234 1.00 0.00 O ATOM 0 H GLY A 87 1.717 -10.637 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.566 -13.434 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.246 -12.318 3.193 1.00 0.00 H new ATOM 891 N ALA A 88 0.611 -12.428 0.465 1.00 0.00 N ATOM 892 CA ALA A 88 0.375 -12.886 -0.899 1.00 0.00 C ATOM 893 C ALA A 88 1.584 -13.642 -1.440 1.00 0.00 C ATOM 894 O ALA A 88 2.605 -13.043 -1.774 1.00 0.00 O ATOM 895 CB ALA A 88 0.041 -11.707 -1.800 1.00 0.00 C ATOM 0 H ALA A 88 0.461 -11.429 0.607 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.473 -13.571 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.133 -12.063 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.856 -11.210 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.872 -11.002 -1.800 1.00 0.00 H new ATOM 901 N GLY A 89 1.460 -14.964 -1.523 1.00 0.00 N ATOM 902 CA GLY A 89 2.550 -15.781 -2.024 1.00 0.00 C ATOM 903 C GLY A 89 3.088 -16.735 -0.977 1.00 0.00 C ATOM 904 O GLY A 89 3.016 -16.459 0.221 1.00 0.00 O ATOM 0 H GLY A 89 0.625 -15.483 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.206 -16.350 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.356 -15.134 -2.370 1.00 0.00 H new ATOM 908 N LYS A 90 3.628 -17.862 -1.427 1.00 0.00 N ATOM 909 CA LYS A 90 4.181 -18.862 -0.521 1.00 0.00 C ATOM 910 C LYS A 90 4.984 -18.200 0.594 1.00 0.00 C ATOM 911 O LYS A 90 5.895 -17.414 0.335 1.00 0.00 O ATOM 912 CB LYS A 90 5.068 -19.842 -1.291 1.00 0.00 C ATOM 913 CG LYS A 90 4.288 -20.849 -2.117 1.00 0.00 C ATOM 914 CD LYS A 90 3.610 -21.887 -1.238 1.00 0.00 C ATOM 915 CE LYS A 90 4.584 -22.973 -0.807 1.00 0.00 C ATOM 916 NZ LYS A 90 3.879 -24.163 -0.255 1.00 0.00 N ATOM 0 H LYS A 90 3.695 -18.106 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 90 3.352 -19.409 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.730 -19.279 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.702 -20.378 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.537 -20.329 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.961 -21.346 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.191 -21.401 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.778 -22.337 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.192 -23.274 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.265 -22.573 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.577 -24.880 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.318 -23.881 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.248 -24.560 -0.980 1.00 0.00 H new ATOM 930 N GLY A 91 4.642 -18.525 1.837 1.00 0.00 N ATOM 931 CA GLY A 91 5.342 -17.955 2.973 1.00 0.00 C ATOM 932 C GLY A 91 5.462 -18.928 4.129 1.00 0.00 C ATOM 933 O GLY A 91 4.856 -19.999 4.132 1.00 0.00 O ATOM 0 H GLY A 91 3.892 -19.173 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.338 -17.641 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.816 -17.061 3.308 1.00 0.00 H new ATOM 937 N PRO A 92 6.262 -18.556 5.140 1.00 0.00 N ATOM 938 CA PRO A 92 6.479 -19.391 6.325 1.00 0.00 C ATOM 939 C PRO A 92 5.238 -19.477 7.209 1.00 0.00 C ATOM 940 O PRO A 92 5.071 -20.433 7.966 1.00 0.00 O ATOM 941 CB PRO A 92 7.611 -18.672 7.063 1.00 0.00 C ATOM 942 CG PRO A 92 7.508 -17.252 6.624 1.00 0.00 C ATOM 943 CD PRO A 92 7.015 -17.293 5.204 1.00 0.00 C ATOM 0 HA PRO A 92 6.712 -20.422 6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.499 -18.761 8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.582 -19.096 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.820 -16.696 7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.475 -16.753 6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.382 -16.436 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.840 -17.281 4.492 1.00 0.00 H new ATOM 951 N GLN A 93 4.373 -18.474 7.105 1.00 0.00 N ATOM 952 CA GLN A 93 3.148 -18.438 7.895 1.00 0.00 C ATOM 953 C GLN A 93 2.187 -19.539 7.460 1.00 0.00 C ATOM 954 O GLN A 93 1.801 -19.616 6.293 1.00 0.00 O ATOM 955 CB GLN A 93 2.472 -17.072 7.764 1.00 0.00 C ATOM 956 CG GLN A 93 3.242 -15.945 8.432 1.00 0.00 C ATOM 957 CD GLN A 93 2.357 -14.768 8.795 1.00 0.00 C ATOM 958 OE1 GLN A 93 1.302 -14.936 9.409 1.00 0.00 O ATOM 959 NE2 GLN A 93 2.782 -13.569 8.418 1.00 0.00 N ATOM 0 H GLN A 93 4.497 -17.676 6.482 1.00 0.00 H new ATOM 0 HA GLN A 93 3.413 -18.605 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.346 -16.838 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.474 -17.127 8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.724 -16.324 9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.035 -15.606 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.662 -13.476 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.228 -12.740 8.635 1.00 0.00 H new ATOM 968 N THR A 94 1.803 -20.390 8.406 1.00 0.00 N ATOM 969 CA THR A 94 0.888 -21.488 8.121 1.00 0.00 C ATOM 970 C THR A 94 -0.437 -20.971 7.571 1.00 0.00 C ATOM 971 O THR A 94 -1.279 -20.474 8.319 1.00 0.00 O ATOM 972 CB THR A 94 0.613 -22.332 9.379 1.00 0.00 C ATOM 973 OG1 THR A 94 1.848 -22.790 9.941 1.00 0.00 O ATOM 974 CG2 THR A 94 -0.272 -23.525 9.049 1.00 0.00 C ATOM 0 H THR A 94 2.112 -20.340 9.377 1.00 0.00 H new ATOM 0 HA THR A 94 1.371 -22.114 7.371 1.00 0.00 H new ATOM 0 HB THR A 94 0.094 -21.704 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.665 -23.325 10.742 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.452 -24.106 9.954 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.223 -23.173 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.224 -24.152 8.308 1.00 0.00 H new ATOM 982 N ASP A 95 -0.615 -21.092 6.260 1.00 0.00 N ATOM 983 CA ASP A 95 -1.839 -20.638 5.610 1.00 0.00 C ATOM 984 C ASP A 95 -2.980 -21.621 5.853 1.00 0.00 C ATOM 985 O ASP A 95 -2.751 -22.782 6.191 1.00 0.00 O ATOM 986 CB ASP A 95 -1.610 -20.465 4.108 1.00 0.00 C ATOM 987 CG ASP A 95 -1.006 -21.700 3.468 1.00 0.00 C ATOM 988 OD1 ASP A 95 -1.710 -22.727 3.379 1.00 0.00 O ATOM 989 OD2 ASP A 95 0.173 -21.639 3.058 1.00 0.00 O ATOM 0 H ASP A 95 0.072 -21.500 5.627 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.114 -19.675 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.559 -20.235 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.951 -19.613 3.940 1.00 0.00 H new ATOM 994 N ASP A 96 -4.209 -21.147 5.681 1.00 0.00 N ATOM 995 CA ASP A 96 -5.387 -21.983 5.882 1.00 0.00 C ATOM 996 C ASP A 96 -5.813 -22.645 4.575 1.00 0.00 C ATOM 997 O ASP A 96 -6.343 -22.001 3.669 1.00 0.00 O ATOM 998 CB ASP A 96 -6.539 -21.152 6.447 1.00 0.00 C ATOM 999 CG ASP A 96 -6.640 -19.785 5.797 1.00 0.00 C ATOM 1000 OD1 ASP A 96 -6.171 -19.639 4.649 1.00 0.00 O ATOM 1001 OD2 ASP A 96 -7.187 -18.863 6.437 1.00 0.00 O ATOM 0 H ASP A 96 -4.416 -20.188 5.403 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.129 -22.764 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.476 -21.690 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.403 -21.031 7.522 1.00 0.00 H new ATOM 1006 N PRO A 97 -5.575 -23.961 4.472 1.00 0.00 N ATOM 1007 CA PRO A 97 -5.926 -24.738 3.280 1.00 0.00 C ATOM 1008 C PRO A 97 -7.434 -24.898 3.115 1.00 0.00 C ATOM 1009 O PRO A 97 -7.922 -25.169 2.018 1.00 0.00 O ATOM 1010 CB PRO A 97 -5.269 -26.096 3.536 1.00 0.00 C ATOM 1011 CG PRO A 97 -5.168 -26.195 5.019 1.00 0.00 C ATOM 1012 CD PRO A 97 -4.946 -24.792 5.513 1.00 0.00 C ATOM 0 HA PRO A 97 -5.590 -24.253 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.867 -26.909 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.287 -26.155 3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.077 -26.619 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.345 -26.847 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.406 -24.632 6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.885 -24.567 5.620 1.00 0.00 H new ATOM 1020 N ARG A 98 -8.165 -24.727 4.211 1.00 0.00 N ATOM 1021 CA ARG A 98 -9.618 -24.853 4.187 1.00 0.00 C ATOM 1022 C ARG A 98 -10.284 -23.481 4.232 1.00 0.00 C ATOM 1023 O ARG A 98 -9.830 -22.583 4.940 1.00 0.00 O ATOM 1024 CB ARG A 98 -10.096 -25.703 5.366 1.00 0.00 C ATOM 1025 CG ARG A 98 -9.919 -25.027 6.716 1.00 0.00 C ATOM 1026 CD ARG A 98 -11.171 -24.270 7.129 1.00 0.00 C ATOM 1027 NE ARG A 98 -11.148 -23.903 8.542 1.00 0.00 N ATOM 1028 CZ ARG A 98 -11.283 -24.779 9.531 1.00 0.00 C ATOM 1029 NH1 ARG A 98 -11.450 -26.067 9.262 1.00 0.00 N ATOM 1030 NH2 ARG A 98 -11.251 -24.368 10.792 1.00 0.00 N ATOM 0 H ARG A 98 -7.776 -24.501 5.126 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.900 -25.344 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.150 -25.944 5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.550 -26.647 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.680 -25.776 7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.075 -24.339 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.267 -23.370 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.049 -24.884 6.928 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.021 -22.920 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.475 -26.387 8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.553 -26.738 10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.123 -23.378 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.355 -25.042 11.551 1.00 0.00 H new ATOM 1044 N ASN A 99 -11.361 -23.327 3.470 1.00 0.00 N ATOM 1045 CA ASN A 99 -12.089 -22.064 3.421 1.00 0.00 C ATOM 1046 C ASN A 99 -13.554 -22.266 3.795 1.00 0.00 C ATOM 1047 O ASN A 99 -14.059 -23.389 3.792 1.00 0.00 O ATOM 1048 CB ASN A 99 -11.988 -21.446 2.025 1.00 0.00 C ATOM 1049 CG ASN A 99 -10.556 -21.360 1.534 1.00 0.00 C ATOM 1050 OD1 ASN A 99 -9.724 -20.672 2.126 1.00 0.00 O ATOM 1051 ND2 ASN A 99 -10.261 -22.061 0.445 1.00 0.00 N ATOM 0 H ASN A 99 -11.749 -24.061 2.878 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.638 -21.385 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.575 -22.040 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.425 -20.447 2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.314 -22.042 0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.982 -22.618 -0.014 1.00 0.00 H new ATOM 1058 N LYS A 100 -14.233 -21.170 4.117 1.00 0.00 N ATOM 1059 CA LYS A 100 -15.642 -21.224 4.491 1.00 0.00 C ATOM 1060 C LYS A 100 -16.401 -22.214 3.613 1.00 0.00 C ATOM 1061 O LYS A 100 -16.508 -22.028 2.401 1.00 0.00 O ATOM 1062 CB LYS A 100 -16.275 -19.836 4.378 1.00 0.00 C ATOM 1063 CG LYS A 100 -16.145 -19.003 5.641 1.00 0.00 C ATOM 1064 CD LYS A 100 -17.257 -19.312 6.630 1.00 0.00 C ATOM 1065 CE LYS A 100 -18.583 -18.718 6.180 1.00 0.00 C ATOM 1066 NZ LYS A 100 -19.675 -18.998 7.154 1.00 0.00 N ATOM 0 H LYS A 100 -13.830 -20.233 4.127 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.704 -21.561 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.810 -19.300 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -17.331 -19.947 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.179 -19.195 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.170 -17.944 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.359 -20.392 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.994 -18.916 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.475 -17.641 6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.852 -19.126 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.562 -18.577 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.796 -20.026 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.430 -18.587 8.077 1.00 0.00 H new ATOM 1080 N HIS A 101 -16.927 -23.266 4.233 1.00 0.00 N ATOM 1081 CA HIS A 101 -17.678 -24.284 3.507 1.00 0.00 C ATOM 1082 C HIS A 101 -18.774 -23.647 2.657 1.00 0.00 C ATOM 1083 O HIS A 101 -19.502 -22.768 3.120 1.00 0.00 O ATOM 1084 CB HIS A 101 -18.292 -25.288 4.483 1.00 0.00 C ATOM 1085 CG HIS A 101 -19.647 -24.889 4.979 1.00 0.00 C ATOM 1086 ND1 HIS A 101 -20.820 -25.356 4.423 1.00 0.00 N ATOM 1087 CD2 HIS A 101 -20.014 -24.063 5.987 1.00 0.00 C ATOM 1088 CE1 HIS A 101 -21.848 -24.833 5.067 1.00 0.00 C ATOM 1089 NE2 HIS A 101 -21.386 -24.045 6.021 1.00 0.00 N ATOM 0 H HIS A 101 -16.847 -23.436 5.236 1.00 0.00 H new ATOM 0 HA HIS A 101 -16.988 -24.808 2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -18.365 -26.260 3.994 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -17.623 -25.409 5.335 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -19.350 -23.519 6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -22.890 -25.018 4.850 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -21.956 -23.510 6.676 1.00 0.00 H new ATOM 1097 N LYS A 102 -18.886 -24.097 1.412 1.00 0.00 N ATOM 1098 CA LYS A 102 -19.893 -23.573 0.497 1.00 0.00 C ATOM 1099 C LYS A 102 -20.735 -24.701 -0.090 1.00 0.00 C ATOM 1100 O LYS A 102 -20.344 -25.868 -0.046 1.00 0.00 O ATOM 1101 CB LYS A 102 -19.225 -22.782 -0.630 1.00 0.00 C ATOM 1102 CG LYS A 102 -18.486 -23.654 -1.630 1.00 0.00 C ATOM 1103 CD LYS A 102 -18.279 -22.933 -2.952 1.00 0.00 C ATOM 1104 CE LYS A 102 -19.499 -23.059 -3.852 1.00 0.00 C ATOM 1105 NZ LYS A 102 -19.186 -22.704 -5.264 1.00 0.00 N ATOM 0 H LYS A 102 -18.292 -24.824 1.013 1.00 0.00 H new ATOM 0 HA LYS A 102 -20.549 -22.909 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.984 -22.204 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.525 -22.068 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.520 -23.944 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.049 -24.572 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.071 -21.880 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.407 -23.345 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.877 -24.080 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.292 -22.410 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.043 -22.803 -5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.849 -21.721 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.447 -23.340 -5.626 1.00 0.00 H new ATOM 1119 N PHE A 103 -21.891 -24.346 -0.640 1.00 0.00 N ATOM 1120 CA PHE A 103 -22.788 -25.330 -1.237 1.00 0.00 C ATOM 1121 C PHE A 103 -22.063 -26.156 -2.295 1.00 0.00 C ATOM 1122 O PHE A 103 -20.942 -25.833 -2.689 1.00 0.00 O ATOM 1123 CB PHE A 103 -24.000 -24.634 -1.859 1.00 0.00 C ATOM 1124 CG PHE A 103 -25.225 -25.502 -1.918 1.00 0.00 C ATOM 1125 CD1 PHE A 103 -26.027 -25.667 -0.800 1.00 0.00 C ATOM 1126 CD2 PHE A 103 -25.574 -26.152 -3.090 1.00 0.00 C ATOM 1127 CE1 PHE A 103 -27.154 -26.465 -0.851 1.00 0.00 C ATOM 1128 CE2 PHE A 103 -26.700 -26.952 -3.147 1.00 0.00 C ATOM 1129 CZ PHE A 103 -27.491 -27.108 -2.026 1.00 0.00 C ATOM 0 H PHE A 103 -22.229 -23.385 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 103 -23.128 -26.001 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -24.228 -23.736 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -23.745 -24.310 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -25.768 -25.166 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -24.959 -26.033 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -27.771 -26.586 0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -26.961 -27.454 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 103 -28.372 -27.732 -2.068 1.00 0.00 H new ATOM 1139 N ARG A 104 -22.710 -27.224 -2.749 1.00 0.00 N ATOM 1140 CA ARG A 104 -22.127 -28.098 -3.760 1.00 0.00 C ATOM 1141 C ARG A 104 -22.197 -27.454 -5.141 1.00 0.00 C ATOM 1142 O ARG A 104 -22.843 -26.421 -5.325 1.00 0.00 O ATOM 1143 CB ARG A 104 -22.850 -29.446 -3.776 1.00 0.00 C ATOM 1144 CG ARG A 104 -24.336 -29.337 -4.076 1.00 0.00 C ATOM 1145 CD ARG A 104 -24.953 -30.702 -4.341 1.00 0.00 C ATOM 1146 NE ARG A 104 -25.405 -31.346 -3.110 1.00 0.00 N ATOM 1147 CZ ARG A 104 -26.614 -31.167 -2.589 1.00 0.00 C ATOM 1148 NH1 ARG A 104 -27.487 -30.369 -3.189 1.00 0.00 N ATOM 1149 NH2 ARG A 104 -26.952 -31.788 -1.466 1.00 0.00 N ATOM 0 H ARG A 104 -23.638 -27.505 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 104 -21.079 -28.258 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -22.384 -30.090 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -22.718 -29.931 -2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -24.844 -28.864 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -24.487 -28.694 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -25.796 -30.593 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -24.222 -31.340 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 104 -24.757 -31.967 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -27.231 -29.891 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -28.414 -30.234 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -26.283 -32.403 -1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -27.880 -31.650 -1.067 1.00 0.00 H new ATOM 1163 N LEU A 105 -21.529 -28.071 -6.110 1.00 0.00 N ATOM 1164 CA LEU A 105 -21.514 -27.558 -7.476 1.00 0.00 C ATOM 1165 C LEU A 105 -22.774 -27.976 -8.228 1.00 0.00 C ATOM 1166 O LEU A 105 -23.645 -27.153 -8.505 1.00 0.00 O ATOM 1167 CB LEU A 105 -20.274 -28.060 -8.216 1.00 0.00 C ATOM 1168 CG LEU A 105 -20.227 -29.561 -8.507 1.00 0.00 C ATOM 1169 CD1 LEU A 105 -20.975 -29.880 -9.792 1.00 0.00 C ATOM 1170 CD2 LEU A 105 -18.786 -30.043 -8.592 1.00 0.00 C ATOM 0 H LEU A 105 -20.991 -28.927 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.485 -26.469 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -20.199 -27.524 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -19.394 -27.796 -7.629 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.717 -30.086 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.930 -30.952 -9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -22.016 -29.572 -9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -20.516 -29.345 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.772 -31.113 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -18.271 -29.511 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -18.281 -29.850 -7.645 1.00 0.00 H new TER 1182 LEU A 105 HETATM 1183 ZN ZN A 201 0.186 7.798 -2.453 1.00 0.00 ZN HETATM 1184 ZN ZN A 401 -0.452 -6.612 0.981 1.00 0.00 ZN