USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= -0.138 (180deg=-0.277) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0143 (180deg=-0.258) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A 3 -6.372 -10.201 -3.410 1.00 0.00 N ATOM 20 CA ARG A 3 -5.096 -10.149 -2.718 1.00 0.00 C ATOM 21 C ARG A 3 -4.269 -8.964 -3.221 1.00 0.00 C ATOM 22 O ARG A 3 -4.011 -8.020 -2.475 1.00 0.00 O ATOM 23 CB ARG A 3 -4.303 -11.440 -2.927 1.00 0.00 C ATOM 24 CG ARG A 3 -4.138 -12.202 -1.610 1.00 0.00 C ATOM 25 CD ARG A 3 -5.165 -13.330 -1.496 1.00 0.00 C ATOM 26 NE ARG A 3 -4.600 -14.586 -2.038 1.00 0.00 N ATOM 27 CZ ARG A 3 -4.849 -15.052 -3.269 1.00 0.00 C ATOM 28 NH1 ARG A 3 -5.657 -14.370 -4.093 1.00 0.00 N ATOM 29 NH2 ARG A 3 -4.292 -16.200 -3.676 1.00 0.00 N ATOM 0 HA ARG A 3 -5.300 -10.030 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.814 -12.071 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.322 -11.206 -3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.131 -12.615 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.253 -11.515 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.449 -13.470 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.071 -13.064 -2.041 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.982 -15.131 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.082 -13.496 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.847 -14.725 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.678 -16.720 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.482 -16.555 -4.613 1.00 0.00 H new ATOM 43 N VAL A 4 -3.874 -9.051 -4.483 1.00 0.00 N ATOM 44 CA VAL A 4 -3.081 -7.999 -5.094 1.00 0.00 C ATOM 45 C VAL A 4 -4.009 -7.027 -5.827 1.00 0.00 C ATOM 46 O VAL A 4 -4.014 -5.831 -5.538 1.00 0.00 O ATOM 47 CB VAL A 4 -2.014 -8.609 -6.006 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.105 -7.526 -6.588 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.198 -9.668 -5.263 1.00 0.00 C ATOM 0 H VAL A 4 -4.089 -9.835 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.550 -7.430 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.524 -9.099 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.356 -7.987 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.702 -6.824 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.608 -6.994 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.447 -10.085 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.705 -9.211 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.860 -10.463 -4.920 1.00 0.00 H new ATOM 59 N LYS A 5 -4.771 -7.577 -6.761 1.00 0.00 N ATOM 60 CA LYS A 5 -5.701 -6.774 -7.536 1.00 0.00 C ATOM 61 C LYS A 5 -6.553 -5.929 -6.587 1.00 0.00 C ATOM 62 O LYS A 5 -6.530 -4.700 -6.654 1.00 0.00 O ATOM 63 CB LYS A 5 -6.521 -7.660 -8.475 1.00 0.00 C ATOM 64 CG LYS A 5 -7.540 -6.832 -9.260 1.00 0.00 C ATOM 65 CD LYS A 5 -7.193 -6.806 -10.751 1.00 0.00 C ATOM 66 CE LYS A 5 -8.244 -7.556 -11.571 1.00 0.00 C ATOM 67 NZ LYS A 5 -7.596 -8.532 -12.475 1.00 0.00 N ATOM 0 H LYS A 5 -4.763 -8.569 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.160 -6.081 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.856 -8.176 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.038 -8.427 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.537 -7.250 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.564 -5.814 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.127 -5.774 -11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.214 -7.258 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.934 -8.072 -10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.833 -6.848 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.324 -9.033 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.955 -8.032 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.053 -9.218 -11.913 1.00 0.00 H new ATOM 81 N ALA A 6 -7.284 -6.621 -5.725 1.00 0.00 N ATOM 82 CA ALA A 6 -8.142 -5.949 -4.764 1.00 0.00 C ATOM 83 C ALA A 6 -7.328 -4.897 -4.007 1.00 0.00 C ATOM 84 O ALA A 6 -7.888 -3.955 -3.451 1.00 0.00 O ATOM 85 CB ALA A 6 -8.769 -6.984 -3.829 1.00 0.00 C ATOM 0 H ALA A 6 -7.300 -7.640 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.956 -5.432 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.413 -6.480 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.360 -7.690 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.982 -7.520 -3.300 1.00 0.00 H new ATOM 91 N LEU A 7 -6.017 -5.095 -4.011 1.00 0.00 N ATOM 92 CA LEU A 7 -5.121 -4.176 -3.331 1.00 0.00 C ATOM 93 C LEU A 7 -4.769 -3.023 -4.274 1.00 0.00 C ATOM 94 O LEU A 7 -4.946 -1.856 -3.926 1.00 0.00 O ATOM 95 CB LEU A 7 -3.899 -4.921 -2.789 1.00 0.00 C ATOM 96 CG LEU A 7 -3.792 -5.015 -1.266 1.00 0.00 C ATOM 97 CD1 LEU A 7 -4.063 -3.659 -0.613 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.711 -6.109 -0.719 1.00 0.00 C ATOM 0 H LEU A 7 -5.555 -5.878 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.612 -3.740 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.905 -5.932 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.002 -4.430 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.770 -5.296 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.981 -3.754 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.334 -2.931 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.067 -3.324 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.616 -6.155 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.744 -5.882 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.429 -7.070 -1.149 1.00 0.00 H new ATOM 110 N GLU A 8 -4.278 -3.389 -5.448 1.00 0.00 N ATOM 111 CA GLU A 8 -3.900 -2.400 -6.443 1.00 0.00 C ATOM 112 C GLU A 8 -4.859 -1.209 -6.398 1.00 0.00 C ATOM 113 O GLU A 8 -4.455 -0.074 -6.648 1.00 0.00 O ATOM 114 CB GLU A 8 -3.859 -3.018 -7.843 1.00 0.00 C ATOM 115 CG GLU A 8 -2.880 -2.266 -8.746 1.00 0.00 C ATOM 116 CD GLU A 8 -2.623 -3.040 -10.041 1.00 0.00 C ATOM 117 OE1 GLU A 8 -2.432 -4.271 -9.937 1.00 0.00 O ATOM 118 OE2 GLU A 8 -2.623 -2.383 -11.104 1.00 0.00 O ATOM 0 H GLU A 8 -4.133 -4.358 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.897 -2.043 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.564 -4.065 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.856 -2.996 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.281 -1.280 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.939 -2.110 -8.218 1.00 0.00 H new ATOM 125 N GLU A 9 -6.109 -1.509 -6.077 1.00 0.00 N ATOM 126 CA GLU A 9 -7.128 -0.476 -5.996 1.00 0.00 C ATOM 127 C GLU A 9 -6.679 0.640 -5.049 1.00 0.00 C ATOM 128 O GLU A 9 -6.636 1.807 -5.436 1.00 0.00 O ATOM 129 CB GLU A 9 -8.470 -1.063 -5.554 1.00 0.00 C ATOM 130 CG GLU A 9 -9.502 -0.979 -6.680 1.00 0.00 C ATOM 131 CD GLU A 9 -10.512 0.140 -6.414 1.00 0.00 C ATOM 132 OE1 GLU A 9 -11.470 -0.129 -5.658 1.00 0.00 O ATOM 133 OE2 GLU A 9 -10.303 1.238 -6.975 1.00 0.00 O ATOM 0 H GLU A 9 -6.439 -2.452 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.265 -0.050 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.336 -2.103 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.836 -0.525 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.997 -0.800 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.024 -1.931 -6.772 1.00 0.00 H new ATOM 140 N LYS A 10 -6.355 0.241 -3.828 1.00 0.00 N ATOM 141 CA LYS A 10 -5.912 1.192 -2.823 1.00 0.00 C ATOM 142 C LYS A 10 -4.508 1.685 -3.179 1.00 0.00 C ATOM 143 O LYS A 10 -4.243 2.886 -3.154 1.00 0.00 O ATOM 144 CB LYS A 10 -6.013 0.580 -1.425 1.00 0.00 C ATOM 145 CG LYS A 10 -6.291 1.657 -0.374 1.00 0.00 C ATOM 146 CD LYS A 10 -7.661 2.302 -0.598 1.00 0.00 C ATOM 147 CE LYS A 10 -7.550 3.827 -0.632 1.00 0.00 C ATOM 148 NZ LYS A 10 -8.863 4.449 -0.349 1.00 0.00 N ATOM 0 H LYS A 10 -6.390 -0.728 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.564 2.066 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.809 -0.165 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.085 0.062 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.251 1.217 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.514 2.421 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.087 1.944 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.343 2.001 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.817 4.161 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.191 4.150 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.756 5.483 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.535 4.199 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.222 4.103 0.564 1.00 0.00 H new ATOM 162 N VAL A 11 -3.645 0.733 -3.502 1.00 0.00 N ATOM 163 CA VAL A 11 -2.275 1.056 -3.863 1.00 0.00 C ATOM 164 C VAL A 11 -2.279 2.107 -4.975 1.00 0.00 C ATOM 165 O VAL A 11 -1.811 3.227 -4.776 1.00 0.00 O ATOM 166 CB VAL A 11 -1.521 -0.219 -4.248 1.00 0.00 C ATOM 167 CG1 VAL A 11 -0.011 0.022 -4.271 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.877 -1.372 -3.307 1.00 0.00 C ATOM 0 H VAL A 11 -3.868 -0.262 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.747 1.486 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.831 -0.499 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.500 -0.900 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.222 0.799 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.322 0.339 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.328 -2.266 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.610 -1.103 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.948 -1.569 -3.362 1.00 0.00 H new ATOM 178 N LYS A 12 -2.811 1.708 -6.120 1.00 0.00 N ATOM 179 CA LYS A 12 -2.882 2.602 -7.264 1.00 0.00 C ATOM 180 C LYS A 12 -3.250 4.007 -6.785 1.00 0.00 C ATOM 181 O LYS A 12 -2.568 4.978 -7.110 1.00 0.00 O ATOM 182 CB LYS A 12 -3.834 2.043 -8.323 1.00 0.00 C ATOM 183 CG LYS A 12 -4.045 3.049 -9.456 1.00 0.00 C ATOM 184 CD LYS A 12 -3.691 2.432 -10.811 1.00 0.00 C ATOM 185 CE LYS A 12 -4.681 2.875 -11.890 1.00 0.00 C ATOM 186 NZ LYS A 12 -4.408 4.268 -12.304 1.00 0.00 N ATOM 0 H LYS A 12 -3.197 0.778 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.910 2.676 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.430 1.115 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.792 1.800 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.083 3.381 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.430 3.932 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.681 2.726 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.696 1.345 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.608 2.212 -12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.700 2.795 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.089 4.552 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.500 4.899 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.442 4.334 -12.685 1.00 0.00 H new ATOM 200 N ALA A 13 -4.330 4.072 -6.019 1.00 0.00 N ATOM 201 CA ALA A 13 -4.799 5.343 -5.493 1.00 0.00 C ATOM 202 C ALA A 13 -3.707 5.959 -4.615 1.00 0.00 C ATOM 203 O ALA A 13 -3.385 7.138 -4.755 1.00 0.00 O ATOM 204 CB ALA A 13 -6.108 5.129 -4.732 1.00 0.00 C ATOM 0 H ALA A 13 -4.893 3.265 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.005 6.042 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.460 6.082 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.858 4.717 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.941 4.435 -3.908 1.00 0.00 H new ATOM 210 N LEU A 14 -3.169 5.134 -3.729 1.00 0.00 N ATOM 211 CA LEU A 14 -2.122 5.584 -2.828 1.00 0.00 C ATOM 212 C LEU A 14 -1.007 6.248 -3.639 1.00 0.00 C ATOM 213 O LEU A 14 -0.358 7.178 -3.165 1.00 0.00 O ATOM 214 CB LEU A 14 -1.637 4.428 -1.950 1.00 0.00 C ATOM 215 CG LEU A 14 -2.588 3.989 -0.834 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.813 3.401 0.345 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.498 5.142 -0.405 1.00 0.00 C ATOM 0 H LEU A 14 -3.438 4.157 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.509 6.336 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.440 3.569 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.687 4.714 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.231 3.199 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.512 3.097 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.243 2.534 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.130 4.152 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.164 4.804 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.889 5.970 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.090 5.475 -1.258 1.00 0.00 H new ATOM 229 N GLU A 15 -0.820 5.744 -4.850 1.00 0.00 N ATOM 230 CA GLU A 15 0.204 6.277 -5.733 1.00 0.00 C ATOM 231 C GLU A 15 -0.131 7.717 -6.126 1.00 0.00 C ATOM 232 O GLU A 15 0.628 8.638 -5.829 1.00 0.00 O ATOM 233 CB GLU A 15 0.374 5.394 -6.971 1.00 0.00 C ATOM 234 CG GLU A 15 1.745 5.612 -7.615 1.00 0.00 C ATOM 235 CD GLU A 15 1.756 5.113 -9.062 1.00 0.00 C ATOM 236 OE1 GLU A 15 1.151 5.808 -9.906 1.00 0.00 O ATOM 237 OE2 GLU A 15 2.370 4.048 -9.290 1.00 0.00 O ATOM 0 H GLU A 15 -1.360 4.972 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 15 1.153 6.280 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.261 4.346 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.411 5.619 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.998 6.672 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.509 5.088 -7.040 1.00 0.00 H new ATOM 244 N GLU A 16 -1.268 7.866 -6.790 1.00 0.00 N ATOM 245 CA GLU A 16 -1.713 9.177 -7.228 1.00 0.00 C ATOM 246 C GLU A 16 -1.876 10.110 -6.026 1.00 0.00 C ATOM 247 O GLU A 16 -1.589 11.303 -6.119 1.00 0.00 O ATOM 248 CB GLU A 16 -3.015 9.078 -8.025 1.00 0.00 C ATOM 249 CG GLU A 16 -3.390 10.430 -8.634 1.00 0.00 C ATOM 250 CD GLU A 16 -4.353 10.252 -9.809 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.468 9.745 -9.559 1.00 0.00 O ATOM 252 OE2 GLU A 16 -3.954 10.630 -10.932 1.00 0.00 O ATOM 0 H GLU A 16 -1.895 7.099 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.953 9.595 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.905 8.337 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.818 8.733 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.851 11.061 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.490 10.944 -8.971 1.00 0.00 H new ATOM 259 N LYS A 17 -2.335 9.533 -4.926 1.00 0.00 N ATOM 260 CA LYS A 17 -2.540 10.298 -3.708 1.00 0.00 C ATOM 261 C LYS A 17 -1.182 10.710 -3.136 1.00 0.00 C ATOM 262 O LYS A 17 -0.851 11.894 -3.105 1.00 0.00 O ATOM 263 CB LYS A 17 -3.410 9.515 -2.723 1.00 0.00 C ATOM 264 CG LYS A 17 -4.863 9.992 -2.775 1.00 0.00 C ATOM 265 CD LYS A 17 -5.129 11.055 -1.709 1.00 0.00 C ATOM 266 CE LYS A 17 -6.527 11.656 -1.871 1.00 0.00 C ATOM 267 NZ LYS A 17 -6.441 13.116 -2.099 1.00 0.00 N ATOM 0 H LYS A 17 -2.571 8.543 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.089 11.215 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.364 8.452 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.020 9.636 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.081 10.399 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.533 9.145 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.032 10.613 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.380 11.843 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.039 11.181 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.121 11.456 -0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.398 13.508 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.972 13.567 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.892 13.301 -2.963 1.00 0.00 H new ATOM 281 N VAL A 18 -0.432 9.709 -2.697 1.00 0.00 N ATOM 282 CA VAL A 18 0.882 9.953 -2.128 1.00 0.00 C ATOM 283 C VAL A 18 1.631 10.965 -2.999 1.00 0.00 C ATOM 284 O VAL A 18 2.501 11.685 -2.511 1.00 0.00 O ATOM 285 CB VAL A 18 1.636 8.632 -1.966 1.00 0.00 C ATOM 286 CG1 VAL A 18 3.107 8.877 -1.622 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.967 7.744 -0.915 1.00 0.00 C ATOM 0 H VAL A 18 -0.710 8.728 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 18 0.792 10.385 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 18 1.599 8.107 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.619 7.921 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.577 9.451 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.174 9.434 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.523 6.811 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.957 8.260 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.056 7.527 -1.220 1.00 0.00 H new ATOM 297 N LYS A 19 1.264 10.988 -4.271 1.00 0.00 N ATOM 298 CA LYS A 19 1.890 11.901 -5.214 1.00 0.00 C ATOM 299 C LYS A 19 1.196 13.262 -5.136 1.00 0.00 C ATOM 300 O LYS A 19 1.856 14.300 -5.135 1.00 0.00 O ATOM 301 CB LYS A 19 1.901 11.295 -6.619 1.00 0.00 C ATOM 302 CG LYS A 19 2.917 12.007 -7.515 1.00 0.00 C ATOM 303 CD LYS A 19 2.315 12.321 -8.885 1.00 0.00 C ATOM 304 CE LYS A 19 3.405 12.430 -9.952 1.00 0.00 C ATOM 305 NZ LYS A 19 3.015 13.405 -10.995 1.00 0.00 N ATOM 0 H LYS A 19 0.542 10.390 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 19 2.936 12.061 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.144 10.234 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.907 11.370 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.244 12.931 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.801 11.381 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.607 11.540 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.756 13.255 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.344 12.738 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.577 11.454 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.767 13.466 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.131 13.095 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.873 14.339 -10.561 1.00 0.00 H new ATOM 319 N ALA A 20 -0.127 13.214 -5.074 1.00 0.00 N ATOM 320 CA ALA A 20 -0.917 14.430 -4.997 1.00 0.00 C ATOM 321 C ALA A 20 -0.445 15.265 -3.805 1.00 0.00 C ATOM 322 O ALA A 20 -0.450 16.494 -3.862 1.00 0.00 O ATOM 323 CB ALA A 20 -2.401 14.070 -4.905 1.00 0.00 C ATOM 0 H ALA A 20 -0.671 12.351 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.783 15.032 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.994 14.983 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.693 13.503 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.575 13.468 -4.013 1.00 0.00 H new ATOM 329 N LEU A 21 -0.047 14.565 -2.753 1.00 0.00 N ATOM 330 CA LEU A 21 0.427 15.226 -1.549 1.00 0.00 C ATOM 331 C LEU A 21 1.550 16.197 -1.915 1.00 0.00 C ATOM 332 O LEU A 21 2.442 15.857 -2.692 1.00 0.00 O ATOM 333 CB LEU A 21 0.826 14.194 -0.493 1.00 0.00 C ATOM 334 CG LEU A 21 -0.029 12.926 -0.437 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.273 12.116 0.825 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.517 13.262 -0.560 1.00 0.00 C ATOM 0 H LEU A 21 -0.043 13.546 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.371 15.816 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.861 13.903 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.794 14.674 0.485 1.00 0.00 H new ATOM 0 HG LEU A 21 0.232 12.301 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.348 11.220 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.324 11.829 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.058 12.721 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.102 12.343 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.811 13.918 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.699 13.764 -1.510 1.00 0.00 H new ATOM 348 N GLY A 22 1.472 17.388 -1.338 1.00 0.00 N ATOM 349 CA GLY A 22 2.472 18.410 -1.594 1.00 0.00 C ATOM 350 C GLY A 22 3.883 17.870 -1.358 1.00 0.00 C ATOM 351 O GLY A 22 4.856 18.410 -1.884 1.00 0.00 O ATOM 0 H GLY A 22 0.732 17.667 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.381 18.763 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.294 19.268 -0.945 1.00 0.00 H new ATOM 355 N GLY A 23 3.951 16.808 -0.567 1.00 0.00 N ATOM 356 CA GLY A 23 5.227 16.189 -0.255 1.00 0.00 C ATOM 357 C GLY A 23 6.189 17.198 0.375 1.00 0.00 C ATOM 358 O GLY A 23 5.951 18.404 0.320 1.00 0.00 O ATOM 0 H GLY A 23 3.143 16.362 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.072 15.354 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.668 15.780 -1.164 1.00 0.00 H new ATOM 362 N GLY A 24 7.254 16.669 0.959 1.00 0.00 N ATOM 363 CA GLY A 24 8.251 17.509 1.600 1.00 0.00 C ATOM 364 C GLY A 24 8.532 17.036 3.027 1.00 0.00 C ATOM 365 O GLY A 24 8.633 17.848 3.945 1.00 0.00 O ATOM 0 H GLY A 24 7.448 15.669 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.173 17.492 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.904 18.542 1.617 1.00 0.00 H new ATOM 369 N GLY A 25 8.652 15.724 3.169 1.00 0.00 N ATOM 370 CA GLY A 25 8.919 15.134 4.469 1.00 0.00 C ATOM 371 C GLY A 25 7.874 14.071 4.814 1.00 0.00 C ATOM 372 O GLY A 25 8.217 12.985 5.281 1.00 0.00 O ATOM 0 H GLY A 25 8.569 15.053 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.913 14.686 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.917 15.912 5.233 1.00 0.00 H new ATOM 376 N ARG A 26 6.619 14.419 4.570 1.00 0.00 N ATOM 377 CA ARG A 26 5.522 13.508 4.848 1.00 0.00 C ATOM 378 C ARG A 26 5.637 12.256 3.977 1.00 0.00 C ATOM 379 O ARG A 26 6.131 11.224 4.428 1.00 0.00 O ATOM 380 CB ARG A 26 4.171 14.178 4.590 1.00 0.00 C ATOM 381 CG ARG A 26 3.803 15.126 5.734 1.00 0.00 C ATOM 382 CD ARG A 26 3.502 16.531 5.205 1.00 0.00 C ATOM 383 NE ARG A 26 3.773 17.536 6.257 1.00 0.00 N ATOM 384 CZ ARG A 26 3.451 18.833 6.159 1.00 0.00 C ATOM 385 NH1 ARG A 26 2.842 19.290 5.055 1.00 0.00 N ATOM 386 NH2 ARG A 26 3.735 19.672 7.164 1.00 0.00 N ATOM 0 H ARG A 26 6.338 15.320 4.183 1.00 0.00 H new ATOM 0 HA ARG A 26 5.582 13.229 5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.209 14.732 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.398 13.417 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.934 14.740 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.622 15.171 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.114 16.737 4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.461 16.594 4.889 1.00 0.00 H new ATOM 0 HE ARG A 26 4.234 17.221 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.624 18.650 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.596 20.277 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.197 19.324 8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.490 20.659 7.089 1.00 0.00 H new ATOM 400 N ILE A 27 5.172 12.388 2.743 1.00 0.00 N ATOM 401 CA ILE A 27 5.216 11.280 1.804 1.00 0.00 C ATOM 402 C ILE A 27 6.638 10.716 1.753 1.00 0.00 C ATOM 403 O ILE A 27 6.840 9.568 1.362 1.00 0.00 O ATOM 404 CB ILE A 27 4.679 11.714 0.438 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.576 12.782 -0.190 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.224 12.175 0.543 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.866 13.478 -1.354 1.00 0.00 C ATOM 0 H ILE A 27 4.763 13.246 2.372 1.00 0.00 H new ATOM 0 HA ILE A 27 4.563 10.473 2.137 1.00 0.00 H new ATOM 0 HB ILE A 27 4.696 10.850 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.854 13.518 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.500 12.324 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.866 12.478 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.609 11.356 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.159 13.020 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.525 14.233 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.611 12.742 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.955 13.955 -0.992 1.00 0.00 H new ATOM 419 N GLU A 28 7.585 11.550 2.158 1.00 0.00 N ATOM 420 CA GLU A 28 8.982 11.148 2.164 1.00 0.00 C ATOM 421 C GLU A 28 9.151 9.827 2.917 1.00 0.00 C ATOM 422 O GLU A 28 10.167 9.150 2.771 1.00 0.00 O ATOM 423 CB GLU A 28 9.864 12.242 2.770 1.00 0.00 C ATOM 424 CG GLU A 28 11.333 12.028 2.400 1.00 0.00 C ATOM 425 CD GLU A 28 11.675 12.732 1.086 1.00 0.00 C ATOM 426 OE1 GLU A 28 11.393 12.129 0.028 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.211 13.859 1.168 1.00 0.00 O ATOM 0 H GLU A 28 7.413 12.501 2.484 1.00 0.00 H new ATOM 0 HA GLU A 28 9.302 10.999 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.534 13.218 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.755 12.243 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.972 12.408 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.537 10.961 2.309 1.00 0.00 H new ATOM 434 N GLU A 29 8.139 9.500 3.708 1.00 0.00 N ATOM 435 CA GLU A 29 8.163 8.272 4.484 1.00 0.00 C ATOM 436 C GLU A 29 7.165 7.263 3.912 1.00 0.00 C ATOM 437 O GLU A 29 7.423 6.060 3.916 1.00 0.00 O ATOM 438 CB GLU A 29 7.873 8.551 5.961 1.00 0.00 C ATOM 439 CG GLU A 29 9.015 8.049 6.847 1.00 0.00 C ATOM 440 CD GLU A 29 8.477 7.232 8.023 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.085 7.869 9.025 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.470 5.989 7.895 1.00 0.00 O ATOM 0 H GLU A 29 7.298 10.064 3.828 1.00 0.00 H new ATOM 0 HA GLU A 29 9.163 7.843 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.734 9.621 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.942 8.064 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.697 7.437 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.590 8.896 7.221 1.00 0.00 H new ATOM 449 N LEU A 30 6.048 7.789 3.433 1.00 0.00 N ATOM 450 CA LEU A 30 5.011 6.949 2.859 1.00 0.00 C ATOM 451 C LEU A 30 5.570 6.220 1.636 1.00 0.00 C ATOM 452 O LEU A 30 5.624 4.991 1.611 1.00 0.00 O ATOM 453 CB LEU A 30 3.757 7.774 2.563 1.00 0.00 C ATOM 454 CG LEU A 30 2.992 8.292 3.782 1.00 0.00 C ATOM 455 CD1 LEU A 30 2.884 9.818 3.754 1.00 0.00 C ATOM 456 CD2 LEU A 30 1.621 7.623 3.895 1.00 0.00 C ATOM 0 H LEU A 30 5.838 8.787 3.431 1.00 0.00 H new ATOM 0 HA LEU A 30 4.701 6.185 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.044 8.628 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.079 7.166 1.965 1.00 0.00 H new ATOM 0 HG LEU A 30 3.555 8.025 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.336 10.160 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.883 10.254 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.356 10.129 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.099 8.010 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.037 7.837 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.749 6.545 3.996 1.00 0.00 H new ATOM 468 N LYS A 31 5.974 7.008 0.650 1.00 0.00 N ATOM 469 CA LYS A 31 6.528 6.454 -0.573 1.00 0.00 C ATOM 470 C LYS A 31 7.508 5.334 -0.222 1.00 0.00 C ATOM 471 O LYS A 31 7.653 4.371 -0.975 1.00 0.00 O ATOM 472 CB LYS A 31 7.140 7.561 -1.434 1.00 0.00 C ATOM 473 CG LYS A 31 6.075 8.234 -2.302 1.00 0.00 C ATOM 474 CD LYS A 31 6.524 8.307 -3.763 1.00 0.00 C ATOM 475 CE LYS A 31 6.583 6.912 -4.389 1.00 0.00 C ATOM 476 NZ LYS A 31 6.699 7.009 -5.861 1.00 0.00 N ATOM 0 H LYS A 31 5.928 8.027 0.674 1.00 0.00 H new ATOM 0 HA LYS A 31 5.740 6.009 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.615 8.304 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.921 7.143 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.140 7.678 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.877 9.239 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.835 8.934 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.505 8.778 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.434 6.362 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.687 6.350 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.738 6.054 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.874 7.515 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.567 7.527 -6.107 1.00 0.00 H new ATOM 490 N LYS A 32 8.157 5.496 0.922 1.00 0.00 N ATOM 491 CA LYS A 32 9.120 4.510 1.381 1.00 0.00 C ATOM 492 C LYS A 32 8.393 3.200 1.696 1.00 0.00 C ATOM 493 O LYS A 32 8.555 2.210 0.984 1.00 0.00 O ATOM 494 CB LYS A 32 9.931 5.060 2.557 1.00 0.00 C ATOM 495 CG LYS A 32 10.253 6.541 2.355 1.00 0.00 C ATOM 496 CD LYS A 32 11.444 6.967 3.217 1.00 0.00 C ATOM 497 CE LYS A 32 12.468 7.747 2.391 1.00 0.00 C ATOM 498 NZ LYS A 32 13.320 8.576 3.271 1.00 0.00 N ATOM 0 H LYS A 32 8.035 6.295 1.544 1.00 0.00 H new ATOM 0 HA LYS A 32 9.845 4.293 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.371 4.929 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.857 4.494 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.475 6.728 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.381 7.144 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.095 7.583 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.917 6.086 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.088 7.055 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.954 8.382 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.010 9.099 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.726 9.249 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.825 7.963 3.943 1.00 0.00 H new ATOM 512 N LYS A 33 7.607 3.238 2.761 1.00 0.00 N ATOM 513 CA LYS A 33 6.854 2.067 3.178 1.00 0.00 C ATOM 514 C LYS A 33 6.004 1.570 2.008 1.00 0.00 C ATOM 515 O LYS A 33 5.823 0.366 1.834 1.00 0.00 O ATOM 516 CB LYS A 33 6.046 2.371 4.440 1.00 0.00 C ATOM 517 CG LYS A 33 6.968 2.612 5.637 1.00 0.00 C ATOM 518 CD LYS A 33 6.468 1.864 6.875 1.00 0.00 C ATOM 519 CE LYS A 33 7.606 1.627 7.869 1.00 0.00 C ATOM 520 NZ LYS A 33 7.555 2.621 8.963 1.00 0.00 N ATOM 0 H LYS A 33 7.475 4.061 3.348 1.00 0.00 H new ATOM 0 HA LYS A 33 7.530 1.256 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.423 3.250 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.375 1.540 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.979 2.284 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.022 3.680 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.675 2.437 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.036 0.909 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.533 0.620 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.565 1.692 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.335 2.445 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.647 3.578 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.647 2.540 9.464 1.00 0.00 H new ATOM 534 N TRP A 34 5.505 2.523 1.234 1.00 0.00 N ATOM 535 CA TRP A 34 4.676 2.197 0.085 1.00 0.00 C ATOM 536 C TRP A 34 5.529 1.394 -0.900 1.00 0.00 C ATOM 537 O TRP A 34 5.018 0.524 -1.602 1.00 0.00 O ATOM 538 CB TRP A 34 4.078 3.461 -0.536 1.00 0.00 C ATOM 539 CG TRP A 34 4.100 3.473 -2.066 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.135 3.741 -2.874 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.989 3.194 -2.944 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.774 3.654 -4.203 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.428 3.311 -4.247 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.658 2.853 -2.647 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.599 3.105 -5.356 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.842 2.649 -3.767 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.269 2.764 -5.084 1.00 0.00 C ATOM 0 H TRP A 34 5.659 3.521 1.380 1.00 0.00 H new ATOM 0 HA TRP A 34 3.823 1.588 0.385 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.048 3.568 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.626 4.328 -0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.127 3.993 -2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.383 3.812 -5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.293 2.756 -1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.966 3.204 -6.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.191 2.384 -3.595 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.577 2.591 -5.895 1.00 0.00 H new ATOM 558 N GLU A 35 6.814 1.715 -0.918 1.00 0.00 N ATOM 559 CA GLU A 35 7.743 1.034 -1.804 1.00 0.00 C ATOM 560 C GLU A 35 8.014 -0.385 -1.301 1.00 0.00 C ATOM 561 O GLU A 35 8.207 -1.304 -2.096 1.00 0.00 O ATOM 562 CB GLU A 35 9.046 1.824 -1.946 1.00 0.00 C ATOM 563 CG GLU A 35 9.244 2.301 -3.385 1.00 0.00 C ATOM 564 CD GLU A 35 10.148 1.342 -4.162 1.00 0.00 C ATOM 565 OE1 GLU A 35 9.706 0.192 -4.372 1.00 0.00 O ATOM 566 OE2 GLU A 35 11.260 1.781 -4.527 1.00 0.00 O ATOM 0 H GLU A 35 7.234 2.438 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 35 7.288 0.967 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.030 2.682 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.888 1.200 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.277 2.378 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.682 3.299 -3.384 1.00 0.00 H new ATOM 573 N GLU A 36 8.022 -0.520 0.018 1.00 0.00 N ATOM 574 CA GLU A 36 8.266 -1.811 0.637 1.00 0.00 C ATOM 575 C GLU A 36 6.959 -2.600 0.753 1.00 0.00 C ATOM 576 O GLU A 36 6.978 -3.812 0.960 1.00 0.00 O ATOM 577 CB GLU A 36 8.929 -1.646 2.005 1.00 0.00 C ATOM 578 CG GLU A 36 9.703 -0.329 2.084 1.00 0.00 C ATOM 579 CD GLU A 36 10.892 -0.448 3.042 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.755 -1.309 2.769 1.00 0.00 O ATOM 581 OE2 GLU A 36 10.908 0.325 4.023 1.00 0.00 O ATOM 0 H GLU A 36 7.863 0.244 0.675 1.00 0.00 H new ATOM 0 HA GLU A 36 8.952 -2.372 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.170 -1.673 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.605 -2.481 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.058 -0.051 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.039 0.468 2.420 1.00 0.00 H new ATOM 588 N LEU A 37 5.856 -1.880 0.612 1.00 0.00 N ATOM 589 CA LEU A 37 4.543 -2.498 0.697 1.00 0.00 C ATOM 590 C LEU A 37 4.161 -3.064 -0.671 1.00 0.00 C ATOM 591 O LEU A 37 3.839 -4.245 -0.790 1.00 0.00 O ATOM 592 CB LEU A 37 3.522 -1.508 1.261 1.00 0.00 C ATOM 593 CG LEU A 37 2.176 -1.446 0.535 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.429 -2.776 0.650 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.336 -0.271 1.037 1.00 0.00 C ATOM 0 H LEU A 37 5.844 -0.875 0.440 1.00 0.00 H new ATOM 0 HA LEU A 37 4.560 -3.336 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.338 -1.762 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.965 -0.512 1.248 1.00 0.00 H new ATOM 0 HG LEU A 37 2.367 -1.275 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.476 -2.705 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.029 -3.570 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.249 -3.002 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.385 -0.250 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.152 -0.386 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.872 0.661 0.859 1.00 0.00 H new ATOM 607 N LYS A 38 4.208 -2.195 -1.670 1.00 0.00 N ATOM 608 CA LYS A 38 3.871 -2.594 -3.025 1.00 0.00 C ATOM 609 C LYS A 38 4.667 -3.846 -3.398 1.00 0.00 C ATOM 610 O LYS A 38 4.196 -4.678 -4.172 1.00 0.00 O ATOM 611 CB LYS A 38 4.074 -1.426 -3.994 1.00 0.00 C ATOM 612 CG LYS A 38 3.845 -1.868 -5.441 1.00 0.00 C ATOM 613 CD LYS A 38 4.909 -1.278 -6.369 1.00 0.00 C ATOM 614 CE LYS A 38 4.681 0.219 -6.583 1.00 0.00 C ATOM 615 NZ LYS A 38 3.832 0.449 -7.774 1.00 0.00 N ATOM 0 H LYS A 38 4.475 -1.216 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 38 2.815 -2.856 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.387 -0.618 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.084 -1.031 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.868 -2.956 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.855 -1.552 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.899 -1.441 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.886 -1.794 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.206 0.650 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.639 0.724 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.687 1.470 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.300 0.055 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.912 -0.017 -7.640 1.00 0.00 H new ATOM 629 N LYS A 39 5.858 -3.942 -2.828 1.00 0.00 N ATOM 630 CA LYS A 39 6.724 -5.080 -3.089 1.00 0.00 C ATOM 631 C LYS A 39 6.121 -6.332 -2.448 1.00 0.00 C ATOM 632 O LYS A 39 6.399 -7.450 -2.880 1.00 0.00 O ATOM 633 CB LYS A 39 8.153 -4.783 -2.631 1.00 0.00 C ATOM 634 CG LYS A 39 9.154 -5.717 -3.314 1.00 0.00 C ATOM 635 CD LYS A 39 10.046 -4.946 -4.289 1.00 0.00 C ATOM 636 CE LYS A 39 11.055 -5.878 -4.963 1.00 0.00 C ATOM 637 NZ LYS A 39 12.344 -5.182 -5.173 1.00 0.00 N ATOM 0 H LYS A 39 6.245 -3.250 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 39 6.790 -5.270 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.403 -3.747 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.223 -4.898 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.771 -6.208 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.619 -6.502 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.430 -4.462 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.575 -4.156 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.209 -6.763 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.660 -6.221 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.017 -5.829 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.195 -4.351 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.727 -4.877 -4.256 1.00 0.00 H new ATOM 651 N LYS A 40 5.306 -6.102 -1.430 1.00 0.00 N ATOM 652 CA LYS A 40 4.661 -7.198 -0.726 1.00 0.00 C ATOM 653 C LYS A 40 3.430 -7.650 -1.512 1.00 0.00 C ATOM 654 O LYS A 40 3.204 -8.847 -1.688 1.00 0.00 O ATOM 655 CB LYS A 40 4.355 -6.800 0.720 1.00 0.00 C ATOM 656 CG LYS A 40 5.488 -7.223 1.656 1.00 0.00 C ATOM 657 CD LYS A 40 5.492 -6.376 2.931 1.00 0.00 C ATOM 658 CE LYS A 40 6.543 -6.879 3.922 1.00 0.00 C ATOM 659 NZ LYS A 40 6.161 -8.207 4.453 1.00 0.00 N ATOM 0 H LYS A 40 5.077 -5.173 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 40 5.331 -8.055 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.211 -5.721 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.422 -7.265 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.376 -8.276 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.445 -7.120 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.694 -5.335 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.506 -6.406 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.514 -6.943 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.647 -6.169 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.708 -8.407 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.146 -8.212 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.361 -8.937 3.740 1.00 0.00 H new ATOM 673 N ILE A 41 2.664 -6.668 -1.966 1.00 0.00 N ATOM 674 CA ILE A 41 1.461 -6.950 -2.731 1.00 0.00 C ATOM 675 C ILE A 41 1.841 -7.662 -4.030 1.00 0.00 C ATOM 676 O ILE A 41 0.996 -8.282 -4.673 1.00 0.00 O ATOM 677 CB ILE A 41 0.650 -5.670 -2.946 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.505 -4.887 -1.639 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.706 -5.979 -3.582 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.599 -3.833 -1.752 1.00 0.00 C ATOM 0 H ILE A 41 2.853 -5.677 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 41 0.808 -7.625 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 41 1.195 -5.034 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.276 -5.573 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.451 -4.404 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.261 -5.052 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.554 -6.462 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.271 -6.644 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.682 -3.291 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.355 -3.135 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.548 -4.322 -1.974 1.00 0.00 H new ATOM 692 N GLU A 42 3.115 -7.549 -4.377 1.00 0.00 N ATOM 693 CA GLU A 42 3.619 -8.175 -5.588 1.00 0.00 C ATOM 694 C GLU A 42 3.858 -9.667 -5.354 1.00 0.00 C ATOM 695 O GLU A 42 3.348 -10.505 -6.097 1.00 0.00 O ATOM 696 CB GLU A 42 4.896 -7.484 -6.072 1.00 0.00 C ATOM 697 CG GLU A 42 4.615 -6.608 -7.295 1.00 0.00 C ATOM 698 CD GLU A 42 5.191 -7.237 -8.564 1.00 0.00 C ATOM 699 OE1 GLU A 42 6.349 -7.701 -8.492 1.00 0.00 O ATOM 700 OE2 GLU A 42 4.460 -7.240 -9.578 1.00 0.00 O ATOM 0 H GLU A 42 3.813 -7.033 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 42 2.868 -8.066 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.310 -6.873 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.647 -8.233 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.540 -6.471 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.049 -5.619 -7.146 1.00 0.00 H new ATOM 707 N GLU A 43 4.632 -9.955 -4.319 1.00 0.00 N ATOM 708 CA GLU A 43 4.946 -11.333 -3.978 1.00 0.00 C ATOM 709 C GLU A 43 3.742 -12.001 -3.310 1.00 0.00 C ATOM 710 O GLU A 43 3.761 -13.203 -3.047 1.00 0.00 O ATOM 711 CB GLU A 43 6.182 -11.408 -3.080 1.00 0.00 C ATOM 712 CG GLU A 43 7.349 -12.075 -3.810 1.00 0.00 C ATOM 713 CD GLU A 43 7.211 -13.598 -3.789 1.00 0.00 C ATOM 714 OE1 GLU A 43 6.200 -14.083 -4.341 1.00 0.00 O ATOM 715 OE2 GLU A 43 8.120 -14.244 -3.222 1.00 0.00 O ATOM 0 H GLU A 43 5.052 -9.258 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 43 5.173 -11.872 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.470 -10.404 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.946 -11.969 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.386 -11.724 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.289 -11.785 -3.341 1.00 0.00 H new ATOM 722 N LEU A 44 2.723 -11.193 -3.055 1.00 0.00 N ATOM 723 CA LEU A 44 1.513 -11.691 -2.424 1.00 0.00 C ATOM 724 C LEU A 44 1.154 -13.053 -3.022 1.00 0.00 C ATOM 725 O LEU A 44 0.572 -13.126 -4.103 1.00 0.00 O ATOM 726 CB LEU A 44 0.389 -10.658 -2.529 1.00 0.00 C ATOM 727 CG LEU A 44 0.098 -9.853 -1.260 1.00 0.00 C ATOM 728 CD1 LEU A 44 -1.056 -8.875 -1.485 1.00 0.00 C ATOM 729 CD2 LEU A 44 -0.161 -10.781 -0.071 1.00 0.00 C ATOM 0 H LEU A 44 2.711 -10.197 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 44 1.676 -11.844 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.637 -9.961 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.524 -11.173 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 44 0.981 -9.260 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.243 -8.315 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.796 -8.183 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.953 -9.429 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.365 -10.185 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.019 -11.417 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.717 -11.403 0.103 1.00 0.00 H new ATOM 769 N GLU A 49 0.331 -13.989 3.947 1.00 0.00 N ATOM 770 CA GLU A 49 0.460 -13.081 5.074 1.00 0.00 C ATOM 771 C GLU A 49 0.010 -11.673 4.675 1.00 0.00 C ATOM 772 O GLU A 49 0.550 -10.683 5.166 1.00 0.00 O ATOM 773 CB GLU A 49 1.893 -13.067 5.608 1.00 0.00 C ATOM 774 CG GLU A 49 2.096 -14.160 6.660 1.00 0.00 C ATOM 775 CD GLU A 49 3.583 -14.444 6.876 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.106 -15.315 6.148 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.165 -13.783 7.764 1.00 0.00 O ATOM 0 HA GLU A 49 -0.187 -13.436 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.593 -13.214 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.113 -12.092 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.640 -13.853 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.590 -15.072 6.344 1.00 0.00 H new ATOM 784 N VAL A 50 -0.974 -11.630 3.789 1.00 0.00 N ATOM 785 CA VAL A 50 -1.503 -10.361 3.319 1.00 0.00 C ATOM 786 C VAL A 50 -1.747 -9.440 4.516 1.00 0.00 C ATOM 787 O VAL A 50 -1.603 -8.223 4.407 1.00 0.00 O ATOM 788 CB VAL A 50 -2.760 -10.596 2.479 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.255 -9.289 1.856 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.510 -11.656 1.404 1.00 0.00 C ATOM 0 H VAL A 50 -1.419 -12.454 3.384 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.783 -9.865 2.669 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.542 -10.968 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.149 -9.484 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.491 -8.576 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.478 -8.875 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.419 -11.804 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.707 -11.324 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.226 -12.595 1.878 1.00 0.00 H new ATOM 800 N LYS A 51 -2.114 -10.056 5.630 1.00 0.00 N ATOM 801 CA LYS A 51 -2.381 -9.307 6.846 1.00 0.00 C ATOM 802 C LYS A 51 -1.380 -8.155 6.960 1.00 0.00 C ATOM 803 O LYS A 51 -1.701 -7.100 7.505 1.00 0.00 O ATOM 804 CB LYS A 51 -2.386 -10.239 8.060 1.00 0.00 C ATOM 805 CG LYS A 51 -3.750 -10.911 8.229 1.00 0.00 C ATOM 806 CD LYS A 51 -4.088 -11.101 9.709 1.00 0.00 C ATOM 807 CE LYS A 51 -5.478 -11.716 9.880 1.00 0.00 C ATOM 808 NZ LYS A 51 -6.499 -10.654 10.024 1.00 0.00 N ATOM 0 H LYS A 51 -2.233 -11.065 5.716 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.376 -8.864 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.614 -10.999 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.142 -9.673 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.520 -10.305 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.748 -11.878 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.342 -11.744 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.046 -10.140 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.714 -12.342 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.491 -12.363 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.437 -11.088 10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.281 -10.074 10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.497 -10.053 9.175 1.00 0.00 H new ATOM 822 N LYS A 52 -0.186 -8.396 6.438 1.00 0.00 N ATOM 823 CA LYS A 52 0.864 -7.393 6.474 1.00 0.00 C ATOM 824 C LYS A 52 0.554 -6.300 5.449 1.00 0.00 C ATOM 825 O LYS A 52 0.427 -5.129 5.805 1.00 0.00 O ATOM 826 CB LYS A 52 2.235 -8.044 6.283 1.00 0.00 C ATOM 827 CG LYS A 52 2.962 -8.194 7.621 1.00 0.00 C ATOM 828 CD LYS A 52 3.233 -9.667 7.936 1.00 0.00 C ATOM 829 CE LYS A 52 2.869 -9.993 9.386 1.00 0.00 C ATOM 830 NZ LYS A 52 3.982 -10.706 10.052 1.00 0.00 N ATOM 0 H LYS A 52 0.077 -9.272 5.987 1.00 0.00 H new ATOM 0 HA LYS A 52 0.899 -6.913 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.115 -9.023 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.837 -7.440 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.904 -7.646 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.362 -7.753 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.656 -10.299 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.285 -9.892 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.643 -9.073 9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.969 -10.607 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.718 -10.920 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.179 -11.593 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.832 -10.107 10.044 1.00 0.00 H new ATOM 844 N VAL A 53 0.441 -6.722 4.198 1.00 0.00 N ATOM 845 CA VAL A 53 0.149 -5.793 3.119 1.00 0.00 C ATOM 846 C VAL A 53 -0.909 -4.792 3.587 1.00 0.00 C ATOM 847 O VAL A 53 -0.619 -3.608 3.750 1.00 0.00 O ATOM 848 CB VAL A 53 -0.268 -6.563 1.865 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.239 -5.741 1.015 1.00 0.00 C ATOM 850 CG2 VAL A 53 0.954 -6.986 1.048 1.00 0.00 C ATOM 0 H VAL A 53 0.546 -7.694 3.908 1.00 0.00 H new ATOM 0 HA VAL A 53 1.039 -5.223 2.853 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.785 -7.468 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.520 -6.311 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.131 -5.514 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.759 -4.811 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.628 -7.532 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.513 -6.101 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.593 -7.628 1.655 1.00 0.00 H new ATOM 860 N GLU A 54 -2.114 -5.305 3.789 1.00 0.00 N ATOM 861 CA GLU A 54 -3.217 -4.471 4.234 1.00 0.00 C ATOM 862 C GLU A 54 -2.743 -3.495 5.313 1.00 0.00 C ATOM 863 O GLU A 54 -2.835 -2.280 5.141 1.00 0.00 O ATOM 864 CB GLU A 54 -4.381 -5.325 4.740 1.00 0.00 C ATOM 865 CG GLU A 54 -4.800 -6.357 3.691 1.00 0.00 C ATOM 866 CD GLU A 54 -6.212 -6.072 3.175 1.00 0.00 C ATOM 867 OE1 GLU A 54 -7.077 -5.773 4.027 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.395 -6.160 1.942 1.00 0.00 O ATOM 0 H GLU A 54 -2.350 -6.288 3.653 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.577 -3.894 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.091 -5.833 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.228 -4.684 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.095 -6.342 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.762 -7.357 4.124 1.00 0.00 H new ATOM 875 N GLU A 55 -2.246 -4.064 6.402 1.00 0.00 N ATOM 876 CA GLU A 55 -1.757 -3.259 7.509 1.00 0.00 C ATOM 877 C GLU A 55 -0.755 -2.218 7.007 1.00 0.00 C ATOM 878 O GLU A 55 -0.628 -1.142 7.590 1.00 0.00 O ATOM 879 CB GLU A 55 -1.134 -4.140 8.594 1.00 0.00 C ATOM 880 CG GLU A 55 -2.008 -4.164 9.849 1.00 0.00 C ATOM 881 CD GLU A 55 -1.551 -3.105 10.855 1.00 0.00 C ATOM 882 OE1 GLU A 55 -2.017 -1.954 10.718 1.00 0.00 O ATOM 883 OE2 GLU A 55 -0.748 -3.472 11.739 1.00 0.00 O ATOM 0 H GLU A 55 -2.171 -5.072 6.541 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.604 -2.735 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.007 -5.154 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.141 -3.767 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.048 -3.986 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.963 -5.151 10.309 1.00 0.00 H new ATOM 890 N GLU A 56 -0.070 -2.573 5.930 1.00 0.00 N ATOM 891 CA GLU A 56 0.917 -1.682 5.343 1.00 0.00 C ATOM 892 C GLU A 56 0.225 -0.573 4.549 1.00 0.00 C ATOM 893 O GLU A 56 0.566 0.601 4.690 1.00 0.00 O ATOM 894 CB GLU A 56 1.899 -2.457 4.461 1.00 0.00 C ATOM 895 CG GLU A 56 3.346 -2.140 4.842 1.00 0.00 C ATOM 896 CD GLU A 56 3.578 -2.355 6.340 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.497 -3.527 6.764 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.832 -1.340 7.025 1.00 0.00 O ATOM 0 H GLU A 56 -0.179 -3.465 5.448 1.00 0.00 H new ATOM 0 HA GLU A 56 1.488 -1.222 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.718 -3.527 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.731 -2.204 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.024 -2.774 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.577 -1.108 4.579 1.00 0.00 H new ATOM 905 N VAL A 57 -0.735 -0.984 3.733 1.00 0.00 N ATOM 906 CA VAL A 57 -1.479 -0.038 2.917 1.00 0.00 C ATOM 907 C VAL A 57 -2.371 0.816 3.819 1.00 0.00 C ATOM 908 O VAL A 57 -2.816 1.891 3.419 1.00 0.00 O ATOM 909 CB VAL A 57 -2.262 -0.784 1.836 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.916 0.195 0.858 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.365 -1.780 1.097 1.00 0.00 C ATOM 0 H VAL A 57 -1.015 -1.958 3.619 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.799 0.638 2.399 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.055 -1.348 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.466 -0.362 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.602 0.846 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.146 0.798 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.947 -2.297 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.540 -1.246 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.968 -2.507 1.805 1.00 0.00 H new ATOM 921 N LYS A 58 -2.606 0.306 5.020 1.00 0.00 N ATOM 922 CA LYS A 58 -3.437 1.010 5.981 1.00 0.00 C ATOM 923 C LYS A 58 -2.673 2.222 6.520 1.00 0.00 C ATOM 924 O LYS A 58 -3.175 3.344 6.480 1.00 0.00 O ATOM 925 CB LYS A 58 -3.920 0.052 7.074 1.00 0.00 C ATOM 926 CG LYS A 58 -5.266 0.504 7.642 1.00 0.00 C ATOM 927 CD LYS A 58 -6.354 -0.536 7.367 1.00 0.00 C ATOM 928 CE LYS A 58 -7.748 0.080 7.505 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.109 0.232 8.932 1.00 0.00 N ATOM 0 H LYS A 58 -2.235 -0.586 5.348 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.338 1.390 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.013 -0.954 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.181 0.005 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.176 0.666 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.550 1.458 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.229 -0.941 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.250 -1.369 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.773 1.052 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.482 -0.551 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.058 0.651 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.105 -0.701 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.418 0.852 9.401 1.00 0.00 H new ATOM 943 N LYS A 59 -1.472 1.953 7.010 1.00 0.00 N ATOM 944 CA LYS A 59 -0.634 3.008 7.555 1.00 0.00 C ATOM 945 C LYS A 59 -0.710 4.236 6.645 1.00 0.00 C ATOM 946 O LYS A 59 -0.665 5.369 7.121 1.00 0.00 O ATOM 947 CB LYS A 59 0.791 2.498 7.782 1.00 0.00 C ATOM 948 CG LYS A 59 1.616 3.512 8.576 1.00 0.00 C ATOM 949 CD LYS A 59 2.807 4.011 7.755 1.00 0.00 C ATOM 950 CE LYS A 59 3.707 4.923 8.592 1.00 0.00 C ATOM 951 NZ LYS A 59 4.614 5.699 7.719 1.00 0.00 N ATOM 0 H LYS A 59 -1.059 1.021 7.041 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.998 3.314 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.760 1.549 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.270 2.306 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.987 4.355 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.972 3.054 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.383 3.161 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.448 4.552 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.095 5.602 9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.290 4.325 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.217 6.312 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.211 5.047 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.053 6.284 7.068 1.00 0.00 H new ATOM 965 N LEU A 60 -0.822 3.968 5.352 1.00 0.00 N ATOM 966 CA LEU A 60 -0.905 5.036 4.372 1.00 0.00 C ATOM 967 C LEU A 60 -2.242 5.764 4.527 1.00 0.00 C ATOM 968 O LEU A 60 -2.285 6.895 5.009 1.00 0.00 O ATOM 969 CB LEU A 60 -0.662 4.491 2.964 1.00 0.00 C ATOM 970 CG LEU A 60 0.800 4.404 2.521 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.205 2.954 2.249 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.063 5.308 1.315 1.00 0.00 C ATOM 0 H LEU A 60 -0.857 3.027 4.961 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.120 5.772 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.100 3.495 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.199 5.121 2.255 1.00 0.00 H new ATOM 0 HG LEU A 60 1.426 4.766 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.248 2.920 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.080 2.365 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.576 2.542 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.109 5.227 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.428 5.000 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.839 6.342 1.579 1.00 0.00 H new ATOM 984 N GLU A 61 -3.300 5.085 4.109 1.00 0.00 N ATOM 985 CA GLU A 61 -4.635 5.653 4.197 1.00 0.00 C ATOM 986 C GLU A 61 -4.769 6.504 5.461 1.00 0.00 C ATOM 987 O GLU A 61 -5.135 7.677 5.388 1.00 0.00 O ATOM 988 CB GLU A 61 -5.701 4.556 4.160 1.00 0.00 C ATOM 989 CG GLU A 61 -6.038 4.167 2.719 1.00 0.00 C ATOM 990 CD GLU A 61 -7.479 4.548 2.371 1.00 0.00 C ATOM 991 OE1 GLU A 61 -7.691 5.741 2.064 1.00 0.00 O ATOM 992 OE2 GLU A 61 -8.334 3.638 2.422 1.00 0.00 O ATOM 0 H GLU A 61 -3.260 4.148 3.709 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.792 6.297 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.346 3.680 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.602 4.902 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.351 4.664 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.900 3.094 2.586 1.00 0.00 H new ATOM 999 N GLU A 62 -4.464 5.882 6.590 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.546 6.568 7.868 1.00 0.00 C ATOM 1001 C GLU A 62 -3.763 7.882 7.816 1.00 0.00 C ATOM 1002 O GLU A 62 -4.348 8.961 7.898 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.042 5.675 9.004 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.206 5.164 9.856 1.00 0.00 C ATOM 1005 CD GLU A 62 -4.732 4.097 10.846 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -3.834 4.428 11.650 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.279 2.975 10.776 1.00 0.00 O ATOM 0 H GLU A 62 -4.160 4.910 6.646 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.593 6.798 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.491 4.830 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.346 6.234 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.657 5.995 10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.980 4.748 9.210 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.452 7.747 7.681 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.583 8.911 7.617 1.00 0.00 C ATOM 1016 C GLU A 63 -2.024 9.840 6.485 1.00 0.00 C ATOM 1017 O GLU A 63 -2.325 11.009 6.718 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.120 8.494 7.447 1.00 0.00 C ATOM 1019 CG GLU A 63 0.787 9.280 8.396 1.00 0.00 C ATOM 1020 CD GLU A 63 0.984 8.528 9.714 1.00 0.00 C ATOM 1021 OE1 GLU A 63 1.931 7.714 9.768 1.00 0.00 O ATOM 1022 OE2 GLU A 63 0.182 8.785 10.639 1.00 0.00 O ATOM 0 H GLU A 63 -1.970 6.850 7.614 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.664 9.454 8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.017 7.426 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.193 8.662 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.754 9.451 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.351 10.259 8.593 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.046 9.286 5.281 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.444 10.051 4.112 1.00 0.00 C ATOM 1031 C ILE A 64 -3.756 10.779 4.406 1.00 0.00 C ATOM 1032 O ILE A 64 -3.953 11.913 3.971 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.505 9.150 2.878 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.190 8.391 2.686 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.891 9.951 1.632 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -0.895 8.169 1.201 1.00 0.00 C ATOM 0 H ILE A 64 -1.794 8.316 5.090 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.700 10.814 3.885 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.286 8.406 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.373 8.950 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.243 7.430 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.927 9.286 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.870 10.406 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.151 10.732 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.045 7.628 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.701 7.589 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.818 9.133 0.697 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.621 10.099 5.146 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.909 10.667 5.504 1.00 0.00 C ATOM 1050 C LYS A 65 -5.693 11.867 6.428 1.00 0.00 C ATOM 1051 O LYS A 65 -6.458 12.829 6.392 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.823 9.592 6.095 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.464 8.749 4.991 1.00 0.00 C ATOM 1054 CD LYS A 65 -8.955 9.062 4.857 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.180 10.292 3.976 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.621 10.467 3.687 1.00 0.00 N ATOM 0 H LYS A 65 -4.454 9.160 5.507 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.423 11.036 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.249 8.948 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.601 10.062 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.962 8.942 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.330 7.690 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.473 8.204 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.384 9.234 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.793 11.180 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.627 10.184 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.755 11.306 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.980 9.626 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.141 10.591 4.579 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.647 11.771 7.236 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.320 12.836 8.168 1.00 0.00 C ATOM 1072 C LYS A 66 -3.709 14.010 7.400 1.00 0.00 C ATOM 1073 O LYS A 66 -3.886 15.166 7.782 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.430 12.308 9.295 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.706 13.050 10.605 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.468 13.821 11.069 1.00 0.00 C ATOM 1077 CE LYS A 66 -1.900 13.221 12.357 1.00 0.00 C ATOM 1078 NZ LYS A 66 -1.999 14.193 13.468 1.00 0.00 N ATOM 0 H LYS A 66 -4.015 10.971 7.264 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.222 13.207 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.606 11.241 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.382 12.425 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.539 13.740 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.005 12.338 11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.708 13.800 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.727 14.867 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.444 12.311 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.858 12.938 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.609 13.770 14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.461 15.050 13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.997 14.443 13.623 1.00 0.00 H new ATOM 1092 N LEU A 67 -3.000 13.673 6.333 1.00 0.00 N ATOM 1093 CA LEU A 67 -2.361 14.685 5.509 1.00 0.00 C ATOM 1094 C LEU A 67 -3.410 15.698 5.048 1.00 0.00 C ATOM 1095 O LEU A 67 -3.711 15.789 3.858 1.00 0.00 O ATOM 1096 CB LEU A 67 -1.590 14.031 4.359 1.00 0.00 C ATOM 1097 CG LEU A 67 -0.170 13.567 4.683 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.191 12.309 3.889 1.00 0.00 C ATOM 1099 CD2 LEU A 67 0.840 14.695 4.460 1.00 0.00 C ATOM 0 H LEU A 67 -2.854 12.713 6.020 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.619 15.235 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.161 13.171 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.540 14.740 3.532 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.130 13.303 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.206 12.000 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.504 11.508 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.128 12.522 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.842 14.338 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.806 15.013 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.592 15.538 5.105 1.00 0.00 H new