USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=0) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -160:sc= -0.539 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.8) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= 0.034 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0035 USER MOD Single : A 51 SER OG : rot -122:sc= 1.11 USER MOD Single : A 52 SER OG : rot 180:sc= -0.905 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= -2.69! (180deg=-5.83!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.34) USER MOD Single : A 91 TYR OH : rot 49:sc= 1.15 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ 172:sc= -3.71 (180deg=-3.81) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.200 10.419 -6.677 1.00 0.00 N ATOM 28 CA LEU A 23 -6.240 9.008 -6.318 1.00 0.00 C ATOM 29 C LEU A 23 -6.059 8.826 -4.819 1.00 0.00 C ATOM 30 O LEU A 23 -5.169 9.418 -4.217 1.00 0.00 O ATOM 31 CB LEU A 23 -5.178 8.242 -7.100 1.00 0.00 C ATOM 32 CG LEU A 23 -5.237 8.476 -8.609 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.052 9.307 -9.077 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.303 7.152 -9.349 1.00 0.00 C ATOM 0 HA LEU A 23 -7.218 8.605 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.192 8.530 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.292 7.176 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.144 9.037 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.117 9.459 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.063 10.273 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.125 8.785 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.345 7.337 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.417 6.561 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.195 6.607 -9.040 1.00 0.00 H new ATOM 46 N ARG A 24 -6.926 8.015 -4.222 1.00 0.00 N ATOM 47 CA ARG A 24 -6.879 7.762 -2.786 1.00 0.00 C ATOM 48 C ARG A 24 -6.254 6.403 -2.486 1.00 0.00 C ATOM 49 O ARG A 24 -6.679 5.377 -3.019 1.00 0.00 O ATOM 50 CB ARG A 24 -8.291 7.849 -2.191 1.00 0.00 C ATOM 51 CG ARG A 24 -8.443 7.168 -0.838 1.00 0.00 C ATOM 52 CD ARG A 24 -9.531 7.824 -0.004 1.00 0.00 C ATOM 53 NE ARG A 24 -10.850 7.679 -0.614 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.556 6.551 -0.596 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.074 5.468 0.003 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.747 6.504 -1.177 1.00 0.00 N ATOM 0 H ARG A 24 -7.672 7.520 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.252 8.525 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.566 8.899 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.996 7.401 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.681 6.114 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.496 7.209 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.541 7.381 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.304 8.883 0.121 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.254 8.490 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.159 5.498 0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.619 4.606 0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.123 7.333 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.288 5.639 -1.163 1.00 0.00 H new ATOM 70 N LEU A 25 -5.241 6.409 -1.627 1.00 0.00 N ATOM 71 CA LEU A 25 -4.547 5.195 -1.243 1.00 0.00 C ATOM 72 C LEU A 25 -5.205 4.557 -0.025 1.00 0.00 C ATOM 73 O LEU A 25 -5.729 5.251 0.846 1.00 0.00 O ATOM 74 CB LEU A 25 -3.094 5.513 -0.925 1.00 0.00 C ATOM 75 CG LEU A 25 -2.150 4.325 -0.982 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.703 4.784 -1.017 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.388 3.408 0.200 1.00 0.00 C ATOM 0 H LEU A 25 -4.882 7.254 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.597 4.493 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.742 6.271 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.043 5.951 0.072 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.351 3.772 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.046 3.915 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.539 5.404 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.483 5.363 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.705 2.561 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.215 3.956 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.416 3.047 0.179 1.00 0.00 H new ATOM 89 N SER A 26 -5.166 3.234 0.032 1.00 0.00 N ATOM 90 CA SER A 26 -5.749 2.497 1.145 1.00 0.00 C ATOM 91 C SER A 26 -4.846 1.341 1.553 1.00 0.00 C ATOM 92 O SER A 26 -4.023 0.880 0.767 1.00 0.00 O ATOM 93 CB SER A 26 -7.133 1.969 0.764 1.00 0.00 C ATOM 94 OG SER A 26 -7.859 2.930 0.017 1.00 0.00 O ATOM 0 H SER A 26 -4.735 2.646 -0.682 1.00 0.00 H new ATOM 0 HA SER A 26 -5.849 3.177 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.028 1.054 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.688 1.710 1.666 1.00 0.00 H new ATOM 0 HG SER A 26 -8.815 2.720 0.056 1.00 0.00 H new ATOM 100 N VAL A 27 -5.009 0.871 2.781 1.00 0.00 N ATOM 101 CA VAL A 27 -4.217 -0.243 3.281 1.00 0.00 C ATOM 102 C VAL A 27 -5.042 -1.090 4.228 1.00 0.00 C ATOM 103 O VAL A 27 -5.649 -0.579 5.170 1.00 0.00 O ATOM 104 CB VAL A 27 -2.922 0.224 3.981 1.00 0.00 C ATOM 105 CG1 VAL A 27 -3.077 0.261 5.493 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.761 -0.662 3.594 1.00 0.00 C ATOM 0 H VAL A 27 -5.683 1.244 3.450 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.923 -0.840 2.418 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.720 1.241 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.144 0.595 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.877 0.951 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.322 -0.736 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.857 -0.318 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.972 -1.689 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.615 -0.619 2.515 1.00 0.00 H new ATOM 116 N PHE A 28 -5.080 -2.382 3.962 1.00 0.00 N ATOM 117 CA PHE A 28 -5.852 -3.285 4.780 1.00 0.00 C ATOM 118 C PHE A 28 -5.061 -4.490 5.265 1.00 0.00 C ATOM 119 O PHE A 28 -4.548 -5.279 4.478 1.00 0.00 O ATOM 120 CB PHE A 28 -7.083 -3.752 4.024 1.00 0.00 C ATOM 121 CG PHE A 28 -8.278 -3.716 4.903 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.758 -2.502 5.352 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.884 -4.882 5.323 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.829 -2.449 6.209 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.965 -4.839 6.175 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.439 -3.622 6.624 1.00 0.00 C ATOM 0 H PHE A 28 -4.585 -2.824 3.187 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.143 -2.722 5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.245 -3.116 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.927 -4.765 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.287 -1.586 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.508 -5.835 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.195 -1.495 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.441 -5.755 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.283 -3.585 7.297 1.00 0.00 H new ATOM 136 N ARG A 29 -5.018 -4.635 6.580 1.00 0.00 N ATOM 137 CA ARG A 29 -4.346 -5.749 7.223 1.00 0.00 C ATOM 138 C ARG A 29 -5.289 -6.359 8.249 1.00 0.00 C ATOM 139 O ARG A 29 -5.786 -5.662 9.134 1.00 0.00 O ATOM 140 CB ARG A 29 -3.051 -5.287 7.897 1.00 0.00 C ATOM 141 CG ARG A 29 -3.176 -3.948 8.605 1.00 0.00 C ATOM 142 CD ARG A 29 -1.974 -3.673 9.494 1.00 0.00 C ATOM 143 NE ARG A 29 -2.345 -2.943 10.703 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.616 -1.640 10.727 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.550 -0.920 9.614 1.00 0.00 N ATOM 146 NH2 ARG A 29 -2.952 -1.054 11.869 1.00 0.00 N ATOM 0 H ARG A 29 -5.450 -3.980 7.232 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.081 -6.495 6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.738 -6.042 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.265 -5.219 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.273 -3.152 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.085 -3.937 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.503 -4.617 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.234 -3.099 8.936 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.400 -3.461 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.290 -1.365 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.759 0.078 9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.002 -1.602 12.728 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.160 -0.056 11.888 1.00 0.00 H new ATOM 160 N SER A 30 -5.556 -7.649 8.120 1.00 0.00 N ATOM 161 CA SER A 30 -6.470 -8.320 9.039 1.00 0.00 C ATOM 162 C SER A 30 -5.717 -8.864 10.255 1.00 0.00 C ATOM 163 O SER A 30 -5.529 -8.153 11.242 1.00 0.00 O ATOM 164 CB SER A 30 -7.214 -9.448 8.317 1.00 0.00 C ATOM 165 OG SER A 30 -8.465 -9.000 7.822 1.00 0.00 O ATOM 0 H SER A 30 -5.159 -8.249 7.397 1.00 0.00 H new ATOM 0 HA SER A 30 -7.200 -7.591 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.605 -9.820 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.368 -10.282 9.001 1.00 0.00 H new ATOM 0 HG SER A 30 -8.919 -9.738 7.364 1.00 0.00 H new ATOM 171 N LEU A 31 -5.275 -10.116 10.178 1.00 0.00 N ATOM 172 CA LEU A 31 -4.532 -10.732 11.270 1.00 0.00 C ATOM 173 C LEU A 31 -3.080 -10.933 10.858 1.00 0.00 C ATOM 174 O LEU A 31 -2.171 -10.318 11.413 1.00 0.00 O ATOM 175 CB LEU A 31 -5.160 -12.073 11.656 1.00 0.00 C ATOM 176 CG LEU A 31 -4.892 -12.525 13.092 1.00 0.00 C ATOM 177 CD1 LEU A 31 -6.054 -13.354 13.617 1.00 0.00 C ATOM 178 CD2 LEU A 31 -3.594 -13.314 13.167 1.00 0.00 C ATOM 0 H LEU A 31 -5.419 -10.723 9.371 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.570 -10.071 12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.238 -12.008 11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.790 -12.839 10.975 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.793 -11.639 13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.845 -13.667 14.640 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.965 -12.756 13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.186 -14.235 12.988 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.418 -13.628 14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.665 -14.193 12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.767 -12.687 12.833 1.00 0.00 H new ATOM 190 N LYS A 32 -2.881 -11.784 9.861 1.00 0.00 N ATOM 191 CA LYS A 32 -1.551 -12.061 9.337 1.00 0.00 C ATOM 192 C LYS A 32 -1.484 -11.669 7.865 1.00 0.00 C ATOM 193 O LYS A 32 -0.721 -12.246 7.089 1.00 0.00 O ATOM 194 CB LYS A 32 -1.209 -13.543 9.505 1.00 0.00 C ATOM 195 CG LYS A 32 0.238 -13.793 9.901 1.00 0.00 C ATOM 196 CD LYS A 32 1.004 -14.529 8.810 1.00 0.00 C ATOM 197 CE LYS A 32 2.156 -13.693 8.274 1.00 0.00 C ATOM 198 NZ LYS A 32 3.357 -13.778 9.149 1.00 0.00 N ATOM 0 H LYS A 32 -3.630 -12.298 9.396 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.823 -11.473 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.864 -13.975 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.416 -14.063 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.727 -12.842 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.267 -14.375 10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.389 -15.469 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.326 -14.780 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.413 -14.031 7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.841 -12.653 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.120 -13.195 8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.119 -13.432 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.673 -14.767 9.210 1.00 0.00 H new ATOM 212 N HIS A 33 -2.304 -10.690 7.486 1.00 0.00 N ATOM 213 CA HIS A 33 -2.360 -10.222 6.108 1.00 0.00 C ATOM 214 C HIS A 33 -1.997 -8.745 6.006 1.00 0.00 C ATOM 215 O HIS A 33 -2.033 -8.012 6.994 1.00 0.00 O ATOM 216 CB HIS A 33 -3.763 -10.443 5.537 1.00 0.00 C ATOM 217 CG HIS A 33 -4.016 -11.849 5.094 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.440 -12.845 5.949 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.906 -12.425 3.874 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.578 -13.972 5.274 1.00 0.00 C ATOM 221 NE2 HIS A 33 -4.261 -13.744 4.013 1.00 0.00 N ATOM 0 H HIS A 33 -2.940 -10.206 8.119 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.632 -10.794 5.532 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.500 -10.171 6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.911 -9.772 4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.597 -11.938 2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.896 -14.919 5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.277 -14.436 3.263 1.00 0.00 H new ATOM 230 N ILE A 34 -1.655 -8.318 4.796 1.00 0.00 N ATOM 231 CA ILE A 34 -1.291 -6.939 4.533 1.00 0.00 C ATOM 232 C ILE A 34 -1.685 -6.571 3.104 1.00 0.00 C ATOM 233 O ILE A 34 -1.354 -7.290 2.162 1.00 0.00 O ATOM 234 CB ILE A 34 0.222 -6.724 4.726 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.629 -5.326 4.265 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.001 -7.790 3.970 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.105 -4.221 4.988 1.00 0.00 C ATOM 0 H ILE A 34 -1.624 -8.920 3.973 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.822 -6.299 5.238 1.00 0.00 H new ATOM 0 HB ILE A 34 0.456 -6.810 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.701 -5.199 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.444 -5.236 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.070 -7.629 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.729 -8.776 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.764 -7.730 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.231 -3.255 4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.177 -4.324 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.100 -4.287 6.057 1.00 0.00 H new ATOM 249 N TYR A 35 -2.413 -5.471 2.946 1.00 0.00 N ATOM 250 CA TYR A 35 -2.869 -5.050 1.632 1.00 0.00 C ATOM 251 C TYR A 35 -2.868 -3.534 1.491 1.00 0.00 C ATOM 252 O TYR A 35 -2.908 -2.802 2.475 1.00 0.00 O ATOM 253 CB TYR A 35 -4.289 -5.572 1.380 1.00 0.00 C ATOM 254 CG TYR A 35 -4.361 -7.061 1.131 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.114 -7.969 2.152 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.673 -7.559 -0.128 1.00 0.00 C ATOM 257 CE1 TYR A 35 -4.174 -9.330 1.927 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.735 -8.920 -0.361 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.484 -9.801 0.670 1.00 0.00 C ATOM 260 OH TYR A 35 -4.544 -11.157 0.442 1.00 0.00 O ATOM 0 H TYR A 35 -2.698 -4.858 3.710 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.177 -5.464 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.913 -5.327 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.710 -5.049 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.871 -7.604 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.870 -6.872 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.979 -10.022 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.979 -9.292 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.776 -11.321 -0.496 1.00 0.00 H new ATOM 270 N ALA A 36 -2.866 -3.089 0.245 1.00 0.00 N ATOM 271 CA ALA A 36 -2.912 -1.670 -0.087 1.00 0.00 C ATOM 272 C ALA A 36 -3.709 -1.487 -1.368 1.00 0.00 C ATOM 273 O ALA A 36 -3.431 -2.136 -2.378 1.00 0.00 O ATOM 274 CB ALA A 36 -1.517 -1.068 -0.228 1.00 0.00 C ATOM 0 H ALA A 36 -2.832 -3.702 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.399 -1.140 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.601 -0.010 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.976 -1.179 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.976 -1.584 -1.021 1.00 0.00 H new ATOM 280 N GLN A 37 -4.706 -0.618 -1.317 1.00 0.00 N ATOM 281 CA GLN A 37 -5.554 -0.366 -2.469 1.00 0.00 C ATOM 282 C GLN A 37 -5.392 1.063 -2.951 1.00 0.00 C ATOM 283 O GLN A 37 -5.772 2.013 -2.268 1.00 0.00 O ATOM 284 CB GLN A 37 -7.020 -0.639 -2.123 1.00 0.00 C ATOM 285 CG GLN A 37 -7.817 -1.232 -3.274 1.00 0.00 C ATOM 286 CD GLN A 37 -8.754 -2.337 -2.825 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.175 -2.378 -1.669 1.00 0.00 O ATOM 288 NE2 GLN A 37 -9.085 -3.241 -3.740 1.00 0.00 N ATOM 0 H GLN A 37 -4.947 -0.075 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.249 -1.040 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.063 -1.320 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.490 0.293 -1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.395 -0.443 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.129 -1.625 -4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.713 -3.168 -4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.712 -4.008 -3.496 1.00 0.00 H new ATOM 297 N ILE A 38 -4.833 1.203 -4.138 1.00 0.00 N ATOM 298 CA ILE A 38 -4.621 2.509 -4.734 1.00 0.00 C ATOM 299 C ILE A 38 -5.777 2.811 -5.677 1.00 0.00 C ATOM 300 O ILE A 38 -5.773 2.404 -6.841 1.00 0.00 O ATOM 301 CB ILE A 38 -3.273 2.573 -5.485 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.253 1.590 -4.857 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.742 4.000 -5.490 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.301 2.195 -3.849 1.00 0.00 C ATOM 0 H ILE A 38 -4.515 0.422 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.584 3.259 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.429 2.268 -6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.803 0.783 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.668 1.140 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.791 4.033 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.459 4.653 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.595 4.337 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.631 1.422 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.716 2.981 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.869 2.619 -3.021 1.00 0.00 H new ATOM 316 N ILE A 39 -6.793 3.478 -5.136 1.00 0.00 N ATOM 317 CA ILE A 39 -8.008 3.792 -5.886 1.00 0.00 C ATOM 318 C ILE A 39 -8.004 5.195 -6.482 1.00 0.00 C ATOM 319 O ILE A 39 -7.260 6.074 -6.050 1.00 0.00 O ATOM 320 CB ILE A 39 -9.250 3.668 -4.979 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.173 2.400 -4.129 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.526 3.686 -5.806 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.826 2.674 -2.683 1.00 0.00 C ATOM 0 H ILE A 39 -6.799 3.814 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.041 3.072 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.269 4.527 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.130 1.881 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.426 1.729 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.389 3.597 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.588 4.623 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.518 2.851 -6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.787 1.733 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.855 3.166 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.585 3.320 -2.243 1.00 0.00 H new ATOM 335 N ASP A 40 -8.884 5.391 -7.462 1.00 0.00 N ATOM 336 CA ASP A 40 -9.053 6.677 -8.119 1.00 0.00 C ATOM 337 C ASP A 40 -10.189 7.431 -7.439 1.00 0.00 C ATOM 338 O ASP A 40 -11.345 6.980 -7.461 1.00 0.00 O ATOM 339 CB ASP A 40 -9.363 6.489 -9.608 1.00 0.00 C ATOM 340 CG ASP A 40 -8.345 7.168 -10.503 1.00 0.00 C ATOM 341 OD1 ASP A 40 -7.772 8.193 -10.079 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.123 6.676 -11.629 1.00 0.00 O ATOM 0 H ASP A 40 -9.498 4.660 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.128 7.247 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.391 5.424 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.354 6.888 -9.823 1.00 0.00 H new ATOM 347 N ASP A 41 -9.833 8.558 -6.818 1.00 0.00 N ATOM 348 CA ASP A 41 -10.779 9.400 -6.084 1.00 0.00 C ATOM 349 C ASP A 41 -11.371 10.503 -6.960 1.00 0.00 C ATOM 350 O ASP A 41 -11.784 11.551 -6.463 1.00 0.00 O ATOM 351 CB ASP A 41 -10.091 10.022 -4.867 1.00 0.00 C ATOM 352 CG ASP A 41 -11.031 10.176 -3.688 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.261 10.156 -3.902 1.00 0.00 O ATOM 354 OD2 ASP A 41 -10.536 10.316 -2.549 1.00 0.00 O ATOM 0 H ASP A 41 -8.877 8.913 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.599 8.759 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.245 9.401 -4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.691 10.999 -5.139 1.00 0.00 H new ATOM 359 N GLU A 42 -11.459 10.234 -8.250 1.00 0.00 N ATOM 360 CA GLU A 42 -12.060 11.164 -9.203 1.00 0.00 C ATOM 361 C GLU A 42 -13.351 10.515 -9.640 1.00 0.00 C ATOM 362 O GLU A 42 -14.436 11.094 -9.585 1.00 0.00 O ATOM 363 CB GLU A 42 -11.133 11.404 -10.399 1.00 0.00 C ATOM 364 CG GLU A 42 -11.781 12.194 -11.524 1.00 0.00 C ATOM 365 CD GLU A 42 -10.774 12.697 -12.539 1.00 0.00 C ATOM 366 OE1 GLU A 42 -9.642 13.037 -12.135 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.117 12.753 -13.739 1.00 0.00 O ATOM 0 H GLU A 42 -11.119 9.369 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.233 12.142 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.245 11.936 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.799 10.442 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.516 11.566 -12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.321 13.042 -11.103 1.00 0.00 H new ATOM 374 N LYS A 43 -13.190 9.249 -9.971 1.00 0.00 N ATOM 375 CA LYS A 43 -14.269 8.367 -10.318 1.00 0.00 C ATOM 376 C LYS A 43 -13.952 7.074 -9.596 1.00 0.00 C ATOM 377 O LYS A 43 -12.898 6.488 -9.833 1.00 0.00 O ATOM 378 CB LYS A 43 -14.339 8.144 -11.830 1.00 0.00 C ATOM 379 CG LYS A 43 -15.227 9.142 -12.554 1.00 0.00 C ATOM 380 CD LYS A 43 -14.436 10.353 -13.022 1.00 0.00 C ATOM 381 CE LYS A 43 -14.968 10.890 -14.342 1.00 0.00 C ATOM 382 NZ LYS A 43 -14.028 11.863 -14.964 1.00 0.00 N ATOM 0 H LYS A 43 -12.275 8.800 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.238 8.775 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.332 8.200 -12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.707 7.136 -12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.696 8.659 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.030 9.464 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.484 11.135 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.386 10.082 -13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.140 10.061 -15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.932 11.371 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.490 12.791 -15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.176 11.948 -14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.760 11.530 -15.912 1.00 0.00 H new ATOM 396 N GLY A 44 -14.822 6.654 -8.689 1.00 0.00 N ATOM 397 CA GLY A 44 -14.557 5.449 -7.921 1.00 0.00 C ATOM 398 C GLY A 44 -13.970 4.340 -8.766 1.00 0.00 C ATOM 399 O GLY A 44 -14.705 3.539 -9.345 1.00 0.00 O ATOM 0 H GLY A 44 -15.702 7.121 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.870 5.684 -7.108 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.484 5.102 -7.465 1.00 0.00 H new ATOM 403 N VAL A 45 -12.641 4.310 -8.870 1.00 0.00 N ATOM 404 CA VAL A 45 -11.985 3.299 -9.697 1.00 0.00 C ATOM 405 C VAL A 45 -10.749 2.699 -9.032 1.00 0.00 C ATOM 406 O VAL A 45 -9.734 3.369 -8.882 1.00 0.00 O ATOM 407 CB VAL A 45 -11.566 3.905 -11.054 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.785 2.897 -11.886 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.783 4.401 -11.820 1.00 0.00 C ATOM 0 H VAL A 45 -12.009 4.960 -8.402 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.715 2.502 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.914 4.755 -10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.503 3.350 -12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.887 2.597 -11.346 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.406 2.020 -12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.465 4.824 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.463 3.569 -12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.294 5.166 -11.235 1.00 0.00 H new ATOM 419 N THR A 46 -10.822 1.418 -8.679 1.00 0.00 N ATOM 420 CA THR A 46 -9.681 0.736 -8.077 1.00 0.00 C ATOM 421 C THR A 46 -8.644 0.445 -9.156 1.00 0.00 C ATOM 422 O THR A 46 -8.933 -0.248 -10.131 1.00 0.00 O ATOM 423 CB THR A 46 -10.119 -0.565 -7.399 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.359 -0.392 -6.735 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.120 -1.075 -6.380 1.00 0.00 C ATOM 0 H THR A 46 -11.651 0.836 -8.798 1.00 0.00 H new ATOM 0 HA THR A 46 -9.245 1.381 -7.315 1.00 0.00 H new ATOM 0 HB THR A 46 -10.200 -1.297 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.623 -1.235 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.492 -1.999 -5.937 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.165 -1.266 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.984 -0.327 -5.599 1.00 0.00 H new ATOM 433 N LEU A 47 -7.446 0.997 -8.997 1.00 0.00 N ATOM 434 CA LEU A 47 -6.393 0.807 -9.988 1.00 0.00 C ATOM 435 C LEU A 47 -5.415 -0.292 -9.594 1.00 0.00 C ATOM 436 O LEU A 47 -5.289 -1.296 -10.295 1.00 0.00 O ATOM 437 CB LEU A 47 -5.630 2.112 -10.217 1.00 0.00 C ATOM 438 CG LEU A 47 -6.503 3.350 -10.370 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.806 3.973 -9.017 1.00 0.00 C ATOM 440 CD2 LEU A 47 -5.833 4.360 -11.287 1.00 0.00 C ATOM 0 H LEU A 47 -7.181 1.575 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.884 0.500 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.948 2.268 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.018 2.005 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.449 3.047 -10.819 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.431 4.855 -9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.331 3.250 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.873 4.261 -8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.469 5.239 -11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.872 4.653 -10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.677 3.913 -12.269 1.00 0.00 H new ATOM 452 N VAL A 48 -4.699 -0.092 -8.493 1.00 0.00 N ATOM 453 CA VAL A 48 -3.713 -1.067 -8.056 1.00 0.00 C ATOM 454 C VAL A 48 -4.015 -1.616 -6.663 1.00 0.00 C ATOM 455 O VAL A 48 -4.544 -0.917 -5.799 1.00 0.00 O ATOM 456 CB VAL A 48 -2.300 -0.446 -8.084 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.397 -1.064 -7.028 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.693 -0.594 -9.470 1.00 0.00 C ATOM 0 H VAL A 48 -4.783 0.729 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.759 -1.904 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.391 0.615 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.411 -0.602 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.826 -0.898 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.306 -2.135 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.696 -0.153 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.624 -1.651 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.323 -0.084 -10.199 1.00 0.00 H new ATOM 468 N SER A 49 -3.651 -2.879 -6.464 1.00 0.00 N ATOM 469 CA SER A 49 -3.846 -3.559 -5.190 1.00 0.00 C ATOM 470 C SER A 49 -2.762 -4.615 -4.996 1.00 0.00 C ATOM 471 O SER A 49 -2.515 -5.429 -5.886 1.00 0.00 O ATOM 472 CB SER A 49 -5.230 -4.205 -5.135 1.00 0.00 C ATOM 473 OG SER A 49 -5.284 -5.369 -5.941 1.00 0.00 O ATOM 0 H SER A 49 -3.213 -3.458 -7.181 1.00 0.00 H new ATOM 0 HA SER A 49 -3.777 -2.826 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.474 -4.462 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.981 -3.491 -5.472 1.00 0.00 H new ATOM 0 HG SER A 49 -6.179 -5.763 -5.886 1.00 0.00 H new ATOM 479 N ALA A 50 -2.105 -4.594 -3.841 1.00 0.00 N ATOM 480 CA ALA A 50 -1.038 -5.555 -3.564 1.00 0.00 C ATOM 481 C ALA A 50 -1.047 -6.028 -2.116 1.00 0.00 C ATOM 482 O ALA A 50 -1.570 -5.353 -1.229 1.00 0.00 O ATOM 483 CB ALA A 50 0.320 -4.956 -3.903 1.00 0.00 C ATOM 0 H ALA A 50 -2.288 -3.931 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.222 -6.424 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.102 -5.685 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.347 -4.692 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.484 -4.062 -3.301 1.00 0.00 H new ATOM 489 N SER A 51 -0.452 -7.196 -1.892 1.00 0.00 N ATOM 490 CA SER A 51 -0.368 -7.782 -0.560 1.00 0.00 C ATOM 491 C SER A 51 0.888 -8.639 -0.431 1.00 0.00 C ATOM 492 O SER A 51 1.144 -9.503 -1.269 1.00 0.00 O ATOM 493 CB SER A 51 -1.606 -8.632 -0.276 1.00 0.00 C ATOM 494 OG SER A 51 -2.245 -9.020 -1.480 1.00 0.00 O ATOM 0 H SER A 51 -0.018 -7.759 -2.624 1.00 0.00 H new ATOM 0 HA SER A 51 -0.318 -6.972 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.320 -9.519 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.303 -8.069 0.344 1.00 0.00 H new ATOM 0 HG SER A 51 -3.171 -8.699 -1.477 1.00 0.00 H new ATOM 500 N SER A 52 1.667 -8.405 0.622 1.00 0.00 N ATOM 501 CA SER A 52 2.890 -9.175 0.844 1.00 0.00 C ATOM 502 C SER A 52 2.595 -10.674 0.838 1.00 0.00 C ATOM 503 O SER A 52 3.471 -11.489 0.549 1.00 0.00 O ATOM 504 CB SER A 52 3.544 -8.781 2.170 1.00 0.00 C ATOM 505 OG SER A 52 3.845 -7.397 2.204 1.00 0.00 O ATOM 0 H SER A 52 1.477 -7.695 1.330 1.00 0.00 H new ATOM 0 HA SER A 52 3.579 -8.949 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.877 -9.031 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.458 -9.358 2.313 1.00 0.00 H new ATOM 0 HG SER A 52 4.260 -7.174 3.063 1.00 0.00 H new ATOM 679 N GLU A 63 8.557 -6.637 7.593 1.00 0.00 N ATOM 680 CA GLU A 63 9.837 -6.735 6.902 1.00 0.00 C ATOM 681 C GLU A 63 9.670 -6.518 5.401 1.00 0.00 C ATOM 682 O GLU A 63 10.492 -5.858 4.765 1.00 0.00 O ATOM 683 CB GLU A 63 10.477 -8.101 7.162 1.00 0.00 C ATOM 684 CG GLU A 63 11.008 -8.263 8.576 1.00 0.00 C ATOM 685 CD GLU A 63 11.911 -9.472 8.724 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.839 -9.624 7.902 1.00 0.00 O ATOM 687 OE2 GLU A 63 11.690 -10.267 9.661 1.00 0.00 O ATOM 0 HA GLU A 63 10.489 -5.953 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.741 -8.881 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.294 -8.251 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.559 -7.366 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.170 -8.353 9.267 1.00 0.00 H new ATOM 694 N VAL A 64 8.603 -7.077 4.839 1.00 0.00 N ATOM 695 CA VAL A 64 8.337 -6.941 3.411 1.00 0.00 C ATOM 696 C VAL A 64 7.405 -5.771 3.122 1.00 0.00 C ATOM 697 O VAL A 64 7.392 -5.257 2.008 1.00 0.00 O ATOM 698 CB VAL A 64 7.716 -8.222 2.818 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.310 -8.002 1.363 1.00 0.00 C ATOM 700 CG2 VAL A 64 8.685 -9.388 2.938 1.00 0.00 C ATOM 0 H VAL A 64 7.911 -7.626 5.348 1.00 0.00 H new ATOM 0 HA VAL A 64 9.304 -6.760 2.941 1.00 0.00 H new ATOM 0 HB VAL A 64 6.818 -8.464 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.874 -8.918 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.577 -7.197 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.189 -7.733 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.231 -10.284 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.602 -9.156 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.918 -9.561 3.989 1.00 0.00 H new ATOM 710 N ALA A 65 6.616 -5.367 4.117 1.00 0.00 N ATOM 711 CA ALA A 65 5.667 -4.265 3.949 1.00 0.00 C ATOM 712 C ALA A 65 6.186 -3.217 2.970 1.00 0.00 C ATOM 713 O ALA A 65 5.449 -2.726 2.122 1.00 0.00 O ATOM 714 CB ALA A 65 5.354 -3.626 5.285 1.00 0.00 C ATOM 0 H ALA A 65 6.614 -5.785 5.047 1.00 0.00 H new ATOM 0 HA ALA A 65 4.751 -4.683 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.647 -2.809 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.917 -4.370 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.272 -3.238 5.727 1.00 0.00 H new ATOM 720 N ARG A 66 7.466 -2.902 3.070 1.00 0.00 N ATOM 721 CA ARG A 66 8.073 -1.938 2.164 1.00 0.00 C ATOM 722 C ARG A 66 8.071 -2.502 0.773 1.00 0.00 C ATOM 723 O ARG A 66 7.450 -1.959 -0.134 1.00 0.00 O ATOM 724 CB ARG A 66 9.495 -1.628 2.582 1.00 0.00 C ATOM 725 CG ARG A 66 9.746 -0.149 2.688 1.00 0.00 C ATOM 726 CD ARG A 66 10.906 0.282 1.824 1.00 0.00 C ATOM 727 NE ARG A 66 12.147 -0.405 2.181 1.00 0.00 N ATOM 728 CZ ARG A 66 12.647 -1.444 1.514 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.015 -1.938 0.455 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.786 -1.995 1.909 1.00 0.00 N ATOM 0 H ARG A 66 8.102 -3.295 3.763 1.00 0.00 H new ATOM 0 HA ARG A 66 7.496 -1.014 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.700 -2.100 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.187 -2.061 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.849 0.395 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.948 0.113 3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.671 0.084 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.048 1.358 1.920 1.00 0.00 H new ATOM 0 HE ARG A 66 12.663 -0.067 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.137 -1.521 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.408 -2.734 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.277 -1.623 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.171 -2.791 1.400 1.00 0.00 H new ATOM 744 N GLN A 67 8.748 -3.621 0.628 1.00 0.00 N ATOM 745 CA GLN A 67 8.805 -4.313 -0.646 1.00 0.00 C ATOM 746 C GLN A 67 7.394 -4.438 -1.214 1.00 0.00 C ATOM 747 O GLN A 67 7.202 -4.504 -2.430 1.00 0.00 O ATOM 748 CB GLN A 67 9.432 -5.698 -0.478 1.00 0.00 C ATOM 749 CG GLN A 67 10.943 -5.705 -0.638 1.00 0.00 C ATOM 750 CD GLN A 67 11.633 -6.589 0.382 1.00 0.00 C ATOM 751 OE1 GLN A 67 11.652 -6.284 1.574 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.205 -7.694 -0.083 1.00 0.00 N ATOM 0 H GLN A 67 9.269 -4.074 1.379 1.00 0.00 H new ATOM 0 HA GLN A 67 9.426 -3.741 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.178 -6.086 0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.994 -6.377 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.197 -6.048 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.319 -4.686 -0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.165 -7.908 -1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.684 -8.328 0.556 1.00 0.00 H new ATOM 761 N VAL A 68 6.394 -4.437 -0.325 1.00 0.00 N ATOM 762 CA VAL A 68 5.015 -4.521 -0.775 1.00 0.00 C ATOM 763 C VAL A 68 4.566 -3.165 -1.299 1.00 0.00 C ATOM 764 O VAL A 68 3.812 -3.080 -2.268 1.00 0.00 O ATOM 765 CB VAL A 68 4.033 -5.046 0.312 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.403 -3.934 1.149 1.00 0.00 C ATOM 767 CG2 VAL A 68 2.944 -5.863 -0.355 1.00 0.00 C ATOM 0 H VAL A 68 6.516 -4.380 0.686 1.00 0.00 H new ATOM 0 HA VAL A 68 4.987 -5.259 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 68 4.615 -5.659 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.730 -4.371 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.187 -3.374 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.842 -3.262 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.252 -6.234 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.403 -5.238 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.392 -6.706 -0.881 1.00 0.00 H new ATOM 777 N GLY A 69 5.068 -2.103 -0.667 1.00 0.00 N ATOM 778 CA GLY A 69 4.734 -0.767 -1.102 1.00 0.00 C ATOM 779 C GLY A 69 5.499 -0.406 -2.345 1.00 0.00 C ATOM 780 O GLY A 69 5.013 0.344 -3.175 1.00 0.00 O ATOM 0 H GLY A 69 5.697 -2.150 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.663 -0.699 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.961 -0.054 -0.309 1.00 0.00 H new ATOM 784 N ARG A 70 6.706 -0.950 -2.476 1.00 0.00 N ATOM 785 CA ARG A 70 7.521 -0.688 -3.647 1.00 0.00 C ATOM 786 C ARG A 70 6.851 -1.343 -4.843 1.00 0.00 C ATOM 787 O ARG A 70 6.860 -0.808 -5.950 1.00 0.00 O ATOM 788 CB ARG A 70 8.955 -1.205 -3.453 1.00 0.00 C ATOM 789 CG ARG A 70 9.137 -2.680 -3.772 1.00 0.00 C ATOM 790 CD ARG A 70 9.598 -2.886 -5.205 1.00 0.00 C ATOM 791 NE ARG A 70 9.645 -4.301 -5.567 1.00 0.00 N ATOM 792 CZ ARG A 70 10.559 -5.153 -5.110 1.00 0.00 C ATOM 793 NH1 ARG A 70 11.504 -4.739 -4.275 1.00 0.00 N ATOM 794 NH2 ARG A 70 10.530 -6.424 -5.489 1.00 0.00 N ATOM 0 H ARG A 70 7.134 -1.570 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 70 7.600 0.386 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.627 -0.623 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.256 -1.029 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.866 -3.114 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.196 -3.207 -3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.924 -2.361 -5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.587 -2.446 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 70 8.935 -4.656 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.532 -3.763 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.202 -5.397 -3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.807 -6.748 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.231 -7.077 -5.138 1.00 0.00 H new ATOM 808 N ALA A 71 6.230 -2.495 -4.589 1.00 0.00 N ATOM 809 CA ALA A 71 5.505 -3.209 -5.622 1.00 0.00 C ATOM 810 C ALA A 71 4.217 -2.460 -5.937 1.00 0.00 C ATOM 811 O ALA A 71 3.849 -2.300 -7.095 1.00 0.00 O ATOM 812 CB ALA A 71 5.204 -4.631 -5.180 1.00 0.00 C ATOM 0 H ALA A 71 6.219 -2.948 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 71 6.119 -3.263 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.660 -5.150 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.138 -5.155 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.598 -4.610 -4.274 1.00 0.00 H new ATOM 818 N LEU A 72 3.553 -1.970 -4.889 1.00 0.00 N ATOM 819 CA LEU A 72 2.324 -1.202 -5.053 1.00 0.00 C ATOM 820 C LEU A 72 2.638 0.072 -5.810 1.00 0.00 C ATOM 821 O LEU A 72 1.948 0.448 -6.757 1.00 0.00 O ATOM 822 CB LEU A 72 1.726 -0.847 -3.688 1.00 0.00 C ATOM 823 CG LEU A 72 1.077 -2.009 -2.941 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.321 -1.892 -1.444 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.414 -2.060 -3.233 1.00 0.00 C ATOM 0 H LEU A 72 3.847 -2.093 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 72 1.600 -1.801 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.514 -0.428 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.980 -0.064 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 72 1.532 -2.936 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.849 -2.731 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.393 -1.904 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.895 -0.958 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.862 -2.894 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.880 -1.128 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.571 -2.195 -4.303 1.00 0.00 H new ATOM 837 N ALA A 73 3.706 0.719 -5.375 1.00 0.00 N ATOM 838 CA ALA A 73 4.172 1.952 -5.983 1.00 0.00 C ATOM 839 C ALA A 73 4.706 1.690 -7.379 1.00 0.00 C ATOM 840 O ALA A 73 4.665 2.563 -8.242 1.00 0.00 O ATOM 841 CB ALA A 73 5.234 2.597 -5.106 1.00 0.00 C ATOM 0 H ALA A 73 4.275 0.403 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 73 3.332 2.641 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.577 3.521 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.811 2.819 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.076 1.914 -4.992 1.00 0.00 H new ATOM 847 N GLU A 74 5.183 0.474 -7.599 1.00 0.00 N ATOM 848 CA GLU A 74 5.698 0.072 -8.888 1.00 0.00 C ATOM 849 C GLU A 74 4.557 0.023 -9.892 1.00 0.00 C ATOM 850 O GLU A 74 4.710 0.378 -11.060 1.00 0.00 O ATOM 851 CB GLU A 74 6.334 -1.305 -8.755 1.00 0.00 C ATOM 852 CG GLU A 74 6.744 -1.915 -10.076 1.00 0.00 C ATOM 853 CD GLU A 74 7.895 -2.893 -9.941 1.00 0.00 C ATOM 854 OE1 GLU A 74 7.713 -3.936 -9.278 1.00 0.00 O ATOM 855 OE2 GLU A 74 8.978 -2.616 -10.498 1.00 0.00 O ATOM 0 H GLU A 74 5.222 -0.256 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 74 6.445 0.786 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.211 -1.230 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.631 -1.974 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.888 -2.427 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.028 -1.120 -10.765 1.00 0.00 H new ATOM 862 N LYS A 75 3.410 -0.420 -9.400 1.00 0.00 N ATOM 863 CA LYS A 75 2.205 -0.533 -10.200 1.00 0.00 C ATOM 864 C LYS A 75 1.526 0.809 -10.305 1.00 0.00 C ATOM 865 O LYS A 75 1.412 1.386 -11.384 1.00 0.00 O ATOM 866 CB LYS A 75 1.266 -1.521 -9.554 1.00 0.00 C ATOM 867 CG LYS A 75 1.968 -2.769 -9.093 1.00 0.00 C ATOM 868 CD LYS A 75 1.280 -3.357 -7.884 1.00 0.00 C ATOM 869 CE LYS A 75 1.041 -4.850 -8.042 1.00 0.00 C ATOM 870 NZ LYS A 75 1.233 -5.583 -6.759 1.00 0.00 N ATOM 0 H LYS A 75 3.291 -0.712 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 75 2.471 -0.877 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.776 -1.048 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.483 -1.790 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.984 -3.502 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.006 -2.539 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.888 -3.178 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.328 -2.851 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.028 -5.019 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.722 -5.249 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.751 -6.467 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.777 -4.991 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.306 -5.803 -6.343 1.00 0.00 H new ATOM 884 N ALA A 76 1.085 1.299 -9.155 1.00 0.00 N ATOM 885 CA ALA A 76 0.419 2.601 -9.077 1.00 0.00 C ATOM 886 C ALA A 76 1.131 3.608 -9.969 1.00 0.00 C ATOM 887 O ALA A 76 0.504 4.393 -10.682 1.00 0.00 O ATOM 888 CB ALA A 76 0.404 3.117 -7.647 1.00 0.00 C ATOM 0 H ALA A 76 1.174 0.818 -8.260 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.609 2.475 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.096 4.085 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.131 2.411 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.428 3.225 -7.288 1.00 0.00 H new ATOM 894 N LEU A 77 2.454 3.564 -9.923 1.00 0.00 N ATOM 895 CA LEU A 77 3.275 4.451 -10.725 1.00 0.00 C ATOM 896 C LEU A 77 3.022 4.233 -12.210 1.00 0.00 C ATOM 897 O LEU A 77 2.967 5.181 -12.992 1.00 0.00 O ATOM 898 CB LEU A 77 4.751 4.216 -10.428 1.00 0.00 C ATOM 899 CG LEU A 77 5.359 5.090 -9.336 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.757 4.597 -8.986 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.396 6.547 -9.779 1.00 0.00 C ATOM 0 H LEU A 77 2.982 2.919 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 77 3.008 5.476 -10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.883 3.171 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.316 4.372 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 77 4.736 5.021 -8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.181 5.229 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.702 3.568 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.391 4.641 -9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.833 7.157 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.000 6.637 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.382 6.891 -9.984 1.00 0.00 H new ATOM 913 N ALA A 78 2.876 2.970 -12.588 1.00 0.00 N ATOM 914 CA ALA A 78 2.631 2.600 -13.974 1.00 0.00 C ATOM 915 C ALA A 78 1.440 3.364 -14.548 1.00 0.00 C ATOM 916 O ALA A 78 1.335 3.549 -15.761 1.00 0.00 O ATOM 917 CB ALA A 78 2.421 1.103 -14.070 1.00 0.00 C ATOM 0 H ALA A 78 2.924 2.178 -11.947 1.00 0.00 H new ATOM 0 HA ALA A 78 3.502 2.871 -14.570 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.238 0.827 -15.108 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.311 0.587 -13.709 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.563 0.816 -13.462 1.00 0.00 H new ATOM 923 N LEU A 79 0.567 3.838 -13.665 1.00 0.00 N ATOM 924 CA LEU A 79 -0.590 4.620 -14.071 1.00 0.00 C ATOM 925 C LEU A 79 -0.196 6.088 -14.109 1.00 0.00 C ATOM 926 O LEU A 79 -0.778 6.894 -14.835 1.00 0.00 O ATOM 927 CB LEU A 79 -1.751 4.453 -13.080 1.00 0.00 C ATOM 928 CG LEU A 79 -1.735 3.203 -12.196 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.276 3.544 -10.816 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.554 2.090 -12.833 1.00 0.00 C ATOM 0 H LEU A 79 0.642 3.692 -12.658 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.915 4.272 -15.051 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.770 5.328 -12.430 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.683 4.456 -13.646 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.708 2.852 -12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.263 2.652 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.654 4.315 -10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.299 3.909 -10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.532 1.209 -12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.585 2.422 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.133 1.840 -13.807 1.00 0.00 H new ATOM 942 N GLY A 80 0.795 6.416 -13.289 1.00 0.00 N ATOM 943 CA GLY A 80 1.281 7.768 -13.182 1.00 0.00 C ATOM 944 C GLY A 80 0.875 8.389 -11.864 1.00 0.00 C ATOM 945 O GLY A 80 0.913 9.609 -11.701 1.00 0.00 O ATOM 0 H GLY A 80 1.276 5.749 -12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.367 7.776 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.889 8.365 -14.005 1.00 0.00 H new ATOM 949 N ILE A 81 0.484 7.536 -10.919 1.00 0.00 N ATOM 950 CA ILE A 81 0.068 7.988 -9.606 1.00 0.00 C ATOM 951 C ILE A 81 1.258 8.494 -8.824 1.00 0.00 C ATOM 952 O ILE A 81 2.081 7.724 -8.328 1.00 0.00 O ATOM 953 CB ILE A 81 -0.680 6.864 -8.840 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.114 6.708 -9.379 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.713 7.138 -7.340 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.335 7.292 -10.761 1.00 0.00 C ATOM 0 H ILE A 81 0.449 6.525 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.631 8.815 -9.730 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.134 5.934 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.366 5.648 -9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.804 7.185 -8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.244 6.332 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.306 7.196 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.225 8.082 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.372 7.137 -11.060 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.118 8.360 -10.744 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.674 6.799 -11.474 1.00 0.00 H new ATOM 968 N LYS A 82 1.340 9.810 -8.742 1.00 0.00 N ATOM 969 CA LYS A 82 2.412 10.470 -8.059 1.00 0.00 C ATOM 970 C LYS A 82 2.018 10.820 -6.632 1.00 0.00 C ATOM 971 O LYS A 82 2.770 10.577 -5.690 1.00 0.00 O ATOM 972 CB LYS A 82 2.780 11.728 -8.826 1.00 0.00 C ATOM 973 CG LYS A 82 3.991 12.391 -8.254 1.00 0.00 C ATOM 974 CD LYS A 82 4.852 13.035 -9.329 1.00 0.00 C ATOM 975 CE LYS A 82 4.654 14.542 -9.371 1.00 0.00 C ATOM 976 NZ LYS A 82 5.291 15.153 -10.570 1.00 0.00 N ATOM 0 H LYS A 82 0.656 10.445 -9.153 1.00 0.00 H new ATOM 0 HA LYS A 82 3.270 9.800 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.962 11.477 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.941 12.424 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.683 13.149 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.583 11.656 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.902 12.810 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.604 12.607 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.588 14.768 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.074 14.988 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.133 16.181 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.313 14.959 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.873 14.746 -11.431 1.00 0.00 H new ATOM 990 N GLN A 83 0.830 11.390 -6.483 1.00 0.00 N ATOM 991 CA GLN A 83 0.322 11.774 -5.173 1.00 0.00 C ATOM 992 C GLN A 83 -0.999 11.074 -4.891 1.00 0.00 C ATOM 993 O GLN A 83 -1.832 10.922 -5.785 1.00 0.00 O ATOM 994 CB GLN A 83 0.143 13.291 -5.092 1.00 0.00 C ATOM 995 CG GLN A 83 1.033 13.945 -4.051 1.00 0.00 C ATOM 996 CD GLN A 83 0.253 14.768 -3.044 1.00 0.00 C ATOM 997 OE1 GLN A 83 -0.692 15.472 -3.398 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.649 14.683 -1.779 1.00 0.00 N ATOM 0 H GLN A 83 0.198 11.597 -7.256 1.00 0.00 H new ATOM 0 HA GLN A 83 1.048 11.468 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.355 13.728 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.899 13.515 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.596 13.174 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.760 14.585 -4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.438 14.086 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.164 15.214 -1.056 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.187 10.641 -3.651 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.413 9.950 -3.276 1.00 0.00 C ATOM 1009 C VAL A 84 -3.064 10.571 -2.050 1.00 0.00 C ATOM 1010 O VAL A 84 -2.453 11.358 -1.327 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.178 8.449 -2.975 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.265 7.605 -3.605 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.816 7.981 -3.449 1.00 0.00 C ATOM 0 H VAL A 84 -0.513 10.755 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.070 10.050 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.211 8.328 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.084 6.553 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.234 7.899 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.261 7.754 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.694 6.923 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.735 8.129 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.038 8.555 -2.945 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.302 10.165 -1.811 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.062 10.615 -0.662 1.00 0.00 C ATOM 1025 C ALA A 85 -5.076 9.494 0.359 1.00 0.00 C ATOM 1026 O ALA A 85 -5.748 8.481 0.167 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.480 10.993 -1.068 1.00 0.00 C ATOM 0 H ALA A 85 -4.806 9.513 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.600 11.505 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.033 11.328 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.446 11.797 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.978 10.125 -1.501 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.297 9.646 1.417 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.200 8.602 2.416 1.00 0.00 C ATOM 1035 C PHE A 86 -5.363 8.621 3.396 1.00 0.00 C ATOM 1036 O PHE A 86 -5.443 9.461 4.292 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.876 8.694 3.167 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.326 7.346 3.519 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.029 6.418 2.527 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.131 6.994 4.844 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.543 5.168 2.861 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -1.653 5.744 5.179 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.358 4.831 4.188 1.00 0.00 C ATOM 0 H PHE A 86 -3.730 10.473 1.603 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.244 7.653 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.151 9.231 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.018 9.275 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.179 6.676 1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.356 7.706 5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.308 4.455 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.510 5.480 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.982 3.853 4.449 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.242 7.645 3.217 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.406 7.456 4.064 1.00 0.00 C ATOM 1055 C ASP A 87 -7.540 5.968 4.346 1.00 0.00 C ATOM 1056 O ASP A 87 -7.918 5.195 3.466 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.668 7.991 3.382 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.229 9.212 4.083 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -10.033 9.040 5.023 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -8.864 10.341 3.692 1.00 0.00 O ATOM 0 H ASP A 87 -6.164 6.955 2.470 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.284 8.008 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.439 8.243 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.426 7.208 3.360 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.193 5.561 5.559 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.245 4.152 5.912 1.00 0.00 C ATOM 1067 C ARG A 88 -8.609 3.792 6.491 1.00 0.00 C ATOM 1068 O ARG A 88 -9.221 2.800 6.097 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.139 3.746 6.908 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.270 4.853 7.475 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.686 5.747 6.410 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.668 5.141 5.081 1.00 0.00 N ATOM 1073 CZ ARG A 88 -4.002 4.038 4.771 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.290 3.401 5.691 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -4.031 3.583 3.528 1.00 0.00 N ATOM 0 H ARG A 88 -6.876 6.179 6.306 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.078 3.597 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.611 3.227 7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.487 3.026 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.862 5.456 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.460 4.411 8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.260 6.673 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.668 6.015 6.691 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.204 5.597 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.252 3.759 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.780 2.553 5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.564 4.081 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.520 2.735 3.283 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.073 4.605 7.435 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.358 4.360 8.064 1.00 0.00 C ATOM 1091 C GLY A 89 -10.221 4.045 9.543 1.00 0.00 C ATOM 1092 O GLY A 89 -9.839 4.913 10.328 1.00 0.00 O ATOM 0 H GLY A 89 -8.581 5.431 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.995 5.235 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.854 3.530 7.562 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.525 2.803 9.961 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.429 2.393 11.357 1.00 0.00 C ATOM 1098 C PRO A 90 -9.055 1.827 11.709 1.00 0.00 C ATOM 1099 O PRO A 90 -8.927 1.009 12.620 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.491 1.303 11.442 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.470 0.652 10.097 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.994 1.695 9.109 1.00 0.00 C ATOM 0 HA PRO A 90 -10.570 3.223 12.049 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.263 0.588 12.232 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.472 1.722 11.665 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.805 -0.212 10.097 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.462 0.290 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.193 1.311 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.798 2.014 8.446 1.00 0.00 H new ATOM 1110 N TYR A 91 -8.032 2.260 10.979 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.672 1.788 11.214 1.00 0.00 C ATOM 1112 C TYR A 91 -5.871 2.790 12.033 1.00 0.00 C ATOM 1113 O TYR A 91 -6.234 3.962 12.137 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.957 1.536 9.885 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.307 0.215 9.239 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.546 -0.382 9.447 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.395 -0.436 8.420 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.863 -1.589 8.856 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.704 -1.642 7.826 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.939 -2.216 8.046 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.248 -3.421 7.455 1.00 0.00 O ATOM 0 H TYR A 91 -8.119 2.936 10.220 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.742 0.856 11.775 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.202 2.343 9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.880 1.574 10.051 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.272 0.106 10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.427 0.009 8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.829 -2.040 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.982 -2.135 7.191 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.125 -3.358 7.022 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.771 2.316 12.600 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.894 3.155 13.399 1.00 0.00 C ATOM 1133 C LYS A 92 -2.448 2.953 12.966 1.00 0.00 C ATOM 1134 O LYS A 92 -2.070 1.861 12.540 1.00 0.00 O ATOM 1135 CB LYS A 92 -4.049 2.828 14.886 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.627 3.962 15.806 1.00 0.00 C ATOM 1137 CD LYS A 92 -4.531 5.176 15.650 1.00 0.00 C ATOM 1138 CE LYS A 92 -3.726 6.459 15.522 1.00 0.00 C ATOM 1139 NZ LYS A 92 -4.603 7.662 15.470 1.00 0.00 N ATOM 0 H LYS A 92 -4.464 1.347 12.519 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.170 4.198 13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.090 2.576 15.087 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.456 1.943 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.651 3.620 16.841 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.597 4.244 15.588 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.160 5.051 14.769 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.197 5.248 16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.042 6.544 16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.115 6.416 14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.016 8.516 15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.238 7.593 14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.168 7.718 16.341 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.642 4.005 13.070 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.235 3.932 12.682 1.00 0.00 C ATOM 1155 C TYR A 93 0.403 2.651 13.213 1.00 0.00 C ATOM 1156 O TYR A 93 0.707 2.544 14.401 1.00 0.00 O ATOM 1157 CB TYR A 93 0.519 5.159 13.205 1.00 0.00 C ATOM 1158 CG TYR A 93 1.691 5.588 12.343 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.664 5.439 10.960 1.00 0.00 C ATOM 1160 CD2 TYR A 93 2.826 6.148 12.917 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.733 5.835 10.178 1.00 0.00 C ATOM 1162 CE2 TYR A 93 3.898 6.548 12.141 1.00 0.00 C ATOM 1163 CZ TYR A 93 3.846 6.388 10.772 1.00 0.00 C ATOM 1164 OH TYR A 93 4.912 6.785 9.996 1.00 0.00 O ATOM 0 H TYR A 93 -1.937 4.917 13.419 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.175 3.919 11.594 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.180 5.992 13.288 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.882 4.946 14.211 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.793 5.007 10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.871 6.273 13.989 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.696 5.711 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.771 6.983 12.604 1.00 0.00 H new ATOM 0 HH TYR A 93 5.615 7.155 10.570 1.00 0.00 H new ATOM 1174 N HIS A 94 0.595 1.676 12.326 1.00 0.00 N ATOM 1175 CA HIS A 94 1.187 0.398 12.711 1.00 0.00 C ATOM 1176 C HIS A 94 2.389 0.062 11.834 1.00 0.00 C ATOM 1177 O HIS A 94 2.678 0.759 10.863 1.00 0.00 O ATOM 1178 CB HIS A 94 0.144 -0.720 12.622 1.00 0.00 C ATOM 1179 CG HIS A 94 0.124 -1.619 13.821 1.00 0.00 C ATOM 1180 ND1 HIS A 94 1.150 -1.671 14.743 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.807 -2.505 14.248 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.850 -2.551 15.682 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.332 -3.070 15.405 1.00 0.00 N ATOM 0 H HIS A 94 0.350 1.747 11.339 1.00 0.00 H new ATOM 0 HA HIS A 94 1.530 0.484 13.742 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.843 -0.275 12.495 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.340 -1.319 11.733 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.749 -2.726 13.767 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.467 -2.803 16.532 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.814 -3.776 15.961 1.00 0.00 H new ATOM 1192 N GLY A 95 3.090 -1.011 12.191 1.00 0.00 N ATOM 1193 CA GLY A 95 4.262 -1.427 11.438 1.00 0.00 C ATOM 1194 C GLY A 95 4.021 -1.479 9.941 1.00 0.00 C ATOM 1195 O GLY A 95 4.868 -1.053 9.157 1.00 0.00 O ATOM 0 H GLY A 95 2.866 -1.602 12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.082 -0.739 11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.578 -2.411 11.783 1.00 0.00 H new ATOM 1199 N ARG A 96 2.868 -2.006 9.542 1.00 0.00 N ATOM 1200 CA ARG A 96 2.530 -2.112 8.126 1.00 0.00 C ATOM 1201 C ARG A 96 2.592 -0.748 7.446 1.00 0.00 C ATOM 1202 O ARG A 96 3.494 -0.486 6.652 1.00 0.00 O ATOM 1203 CB ARG A 96 1.138 -2.726 7.955 1.00 0.00 C ATOM 1204 CG ARG A 96 0.987 -4.087 8.617 1.00 0.00 C ATOM 1205 CD ARG A 96 2.120 -5.027 8.232 1.00 0.00 C ATOM 1206 NE ARG A 96 1.690 -6.423 8.206 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.353 -7.116 9.291 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.393 -6.548 10.490 1.00 0.00 N ATOM 1209 NH2 ARG A 96 0.974 -8.382 9.178 1.00 0.00 N ATOM 0 H ARG A 96 2.154 -2.365 10.176 1.00 0.00 H new ATOM 0 HA ARG A 96 3.263 -2.763 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.396 -2.045 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.921 -2.823 6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.967 -3.965 9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.033 -4.529 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.505 -4.748 7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.941 -4.914 8.940 1.00 0.00 H new ATOM 0 HE ARG A 96 1.645 -6.894 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.683 -5.575 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.133 -7.085 11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.941 -8.824 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.716 -8.913 10.010 1.00 0.00 H new ATOM 1223 N VAL A 97 1.630 0.118 7.766 1.00 0.00 N ATOM 1224 CA VAL A 97 1.570 1.463 7.193 1.00 0.00 C ATOM 1225 C VAL A 97 2.948 2.083 7.070 1.00 0.00 C ATOM 1226 O VAL A 97 3.267 2.701 6.067 1.00 0.00 O ATOM 1227 CB VAL A 97 0.698 2.401 8.042 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.492 3.733 7.337 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.625 1.740 8.350 1.00 0.00 C ATOM 0 H VAL A 97 0.878 -0.090 8.423 1.00 0.00 H new ATOM 0 HA VAL A 97 1.131 1.348 6.202 1.00 0.00 H new ATOM 0 HB VAL A 97 1.212 2.601 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.128 4.381 7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.458 4.209 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.002 3.566 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.236 2.412 8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.144 1.514 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.451 0.816 8.902 1.00 0.00 H new ATOM 1239 N LYS A 98 3.761 1.924 8.099 1.00 0.00 N ATOM 1240 CA LYS A 98 5.098 2.485 8.084 1.00 0.00 C ATOM 1241 C LYS A 98 5.900 1.958 6.900 1.00 0.00 C ATOM 1242 O LYS A 98 6.106 2.660 5.910 1.00 0.00 O ATOM 1243 CB LYS A 98 5.822 2.178 9.391 1.00 0.00 C ATOM 1244 CG LYS A 98 6.155 3.426 10.184 1.00 0.00 C ATOM 1245 CD LYS A 98 5.664 3.334 11.616 1.00 0.00 C ATOM 1246 CE LYS A 98 4.158 3.152 11.688 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.769 2.354 12.880 1.00 0.00 N ATOM 0 H LYS A 98 3.520 1.415 8.949 1.00 0.00 H new ATOM 0 HA LYS A 98 5.007 3.566 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.201 1.521 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.742 1.635 9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.234 3.582 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.705 4.294 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.155 2.498 12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.947 4.238 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.673 4.127 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.805 2.655 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.734 2.360 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.100 1.375 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.200 2.768 13.731 1.00 0.00 H new ATOM 1261 N ALA A 99 6.357 0.717 7.020 1.00 0.00 N ATOM 1262 CA ALA A 99 7.150 0.081 5.977 1.00 0.00 C ATOM 1263 C ALA A 99 6.420 0.046 4.638 1.00 0.00 C ATOM 1264 O ALA A 99 7.039 0.203 3.589 1.00 0.00 O ATOM 1265 CB ALA A 99 7.535 -1.328 6.401 1.00 0.00 C ATOM 0 H ALA A 99 6.190 0.128 7.836 1.00 0.00 H new ATOM 0 HA ALA A 99 8.050 0.680 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.128 -1.795 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.120 -1.284 7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.633 -1.915 6.573 1.00 0.00 H new ATOM 1271 N LEU A 100 5.107 -0.159 4.670 1.00 0.00 N ATOM 1272 CA LEU A 100 4.318 -0.219 3.456 1.00 0.00 C ATOM 1273 C LEU A 100 4.255 1.139 2.787 1.00 0.00 C ATOM 1274 O LEU A 100 4.472 1.270 1.583 1.00 0.00 O ATOM 1275 CB LEU A 100 2.901 -0.695 3.779 1.00 0.00 C ATOM 1276 CG LEU A 100 1.871 -0.400 2.695 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.833 -1.505 2.621 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.198 0.945 2.932 1.00 0.00 C ATOM 0 H LEU A 100 4.571 -0.286 5.528 1.00 0.00 H new ATOM 0 HA LEU A 100 4.794 -0.923 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.925 -1.770 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.577 -0.225 4.708 1.00 0.00 H new ATOM 0 HG LEU A 100 2.396 -0.356 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.109 -1.272 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.324 -2.450 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.320 -1.587 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.468 1.130 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.694 0.934 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.950 1.734 2.923 1.00 0.00 H new ATOM 1290 N ALA A 101 3.932 2.140 3.582 1.00 0.00 N ATOM 1291 CA ALA A 101 3.806 3.496 3.082 1.00 0.00 C ATOM 1292 C ALA A 101 5.103 3.974 2.445 1.00 0.00 C ATOM 1293 O ALA A 101 5.073 4.716 1.463 1.00 0.00 O ATOM 1294 CB ALA A 101 3.343 4.422 4.187 1.00 0.00 C ATOM 0 H ALA A 101 3.751 2.040 4.581 1.00 0.00 H new ATOM 0 HA ALA A 101 3.049 3.507 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.253 5.436 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.374 4.089 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.068 4.409 5.001 1.00 0.00 H new ATOM 1300 N GLU A 102 6.245 3.520 2.964 1.00 0.00 N ATOM 1301 CA GLU A 102 7.515 3.903 2.361 1.00 0.00 C ATOM 1302 C GLU A 102 7.606 3.236 1.004 1.00 0.00 C ATOM 1303 O GLU A 102 7.883 3.883 0.010 1.00 0.00 O ATOM 1304 CB GLU A 102 8.744 3.539 3.212 1.00 0.00 C ATOM 1305 CG GLU A 102 8.430 2.944 4.578 1.00 0.00 C ATOM 1306 CD GLU A 102 9.672 2.449 5.294 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.694 2.213 4.616 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.622 2.296 6.533 1.00 0.00 O ATOM 0 H GLU A 102 6.315 2.906 3.775 1.00 0.00 H new ATOM 0 HA GLU A 102 7.530 4.990 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.355 2.828 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.347 4.436 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.935 3.695 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.729 2.118 4.459 1.00 0.00 H new ATOM 1315 N GLY A 103 7.313 1.941 0.958 1.00 0.00 N ATOM 1316 CA GLY A 103 7.321 1.233 -0.309 1.00 0.00 C ATOM 1317 C GLY A 103 6.574 2.017 -1.362 1.00 0.00 C ATOM 1318 O GLY A 103 7.101 2.366 -2.417 1.00 0.00 O ATOM 0 H GLY A 103 7.072 1.372 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.349 1.067 -0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.863 0.251 -0.186 1.00 0.00 H new ATOM 1322 N ALA A 104 5.308 2.267 -1.035 1.00 0.00 N ATOM 1323 CA ALA A 104 4.395 2.994 -1.897 1.00 0.00 C ATOM 1324 C ALA A 104 4.923 4.384 -2.216 1.00 0.00 C ATOM 1325 O ALA A 104 4.863 4.832 -3.359 1.00 0.00 O ATOM 1326 CB ALA A 104 3.027 3.075 -1.243 1.00 0.00 C ATOM 0 H ALA A 104 4.889 1.966 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 104 4.308 2.454 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.344 3.622 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.643 2.069 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.111 3.593 -0.288 1.00 0.00 H new ATOM 1332 N ARG A 105 5.464 5.069 -1.213 1.00 0.00 N ATOM 1333 CA ARG A 105 6.015 6.400 -1.433 1.00 0.00 C ATOM 1334 C ARG A 105 7.402 6.286 -2.052 1.00 0.00 C ATOM 1335 O ARG A 105 7.671 6.851 -3.113 1.00 0.00 O ATOM 1336 CB ARG A 105 6.062 7.203 -0.128 1.00 0.00 C ATOM 1337 CG ARG A 105 6.806 8.526 -0.243 1.00 0.00 C ATOM 1338 CD ARG A 105 5.882 9.709 0.007 1.00 0.00 C ATOM 1339 NE ARG A 105 5.993 10.212 1.375 1.00 0.00 N ATOM 1340 CZ ARG A 105 6.938 11.058 1.781 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.861 11.492 0.931 1.00 0.00 N ATOM 1342 NH2 ARG A 105 6.961 11.470 3.041 1.00 0.00 N ATOM 0 H ARG A 105 5.532 4.730 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 105 5.364 6.937 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.042 7.399 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.537 6.596 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.627 8.546 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.247 8.611 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.120 10.509 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.852 9.411 -0.187 1.00 0.00 H new ATOM 0 HE ARG A 105 5.306 9.896 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.849 11.178 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.582 12.140 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.255 11.139 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.685 12.118 3.353 1.00 0.00 H new ATOM 1356 N GLU A 106 8.265 5.522 -1.395 1.00 0.00 N ATOM 1357 CA GLU A 106 9.617 5.285 -1.880 1.00 0.00 C ATOM 1358 C GLU A 106 9.560 4.896 -3.354 1.00 0.00 C ATOM 1359 O GLU A 106 10.371 5.340 -4.166 1.00 0.00 O ATOM 1360 CB GLU A 106 10.279 4.162 -1.055 1.00 0.00 C ATOM 1361 CG GLU A 106 10.077 2.765 -1.621 1.00 0.00 C ATOM 1362 CD GLU A 106 10.952 1.728 -0.948 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.727 2.101 -0.042 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.866 0.542 -1.330 1.00 0.00 O ATOM 0 H GLU A 106 8.049 5.052 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 106 10.211 6.192 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.348 4.361 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.882 4.191 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.031 2.480 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.291 2.776 -2.690 1.00 0.00 H new ATOM 1371 N GLY A 107 8.574 4.062 -3.678 1.00 0.00 N ATOM 1372 CA GLY A 107 8.390 3.613 -5.042 1.00 0.00 C ATOM 1373 C GLY A 107 8.015 4.761 -5.971 1.00 0.00 C ATOM 1374 O GLY A 107 8.633 4.932 -7.022 1.00 0.00 O ATOM 0 H GLY A 107 7.897 3.689 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.307 3.143 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.610 2.852 -5.072 1.00 0.00 H new ATOM 1378 N GLY A 108 7.016 5.564 -5.583 1.00 0.00 N ATOM 1379 CA GLY A 108 6.619 6.694 -6.415 1.00 0.00 C ATOM 1380 C GLY A 108 5.448 7.503 -5.867 1.00 0.00 C ATOM 1381 O GLY A 108 5.321 8.690 -6.169 1.00 0.00 O ATOM 0 H GLY A 108 6.483 5.453 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.476 7.357 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.356 6.324 -7.406 1.00 0.00 H new ATOM 1385 N LEU A 109 4.574 6.865 -5.096 1.00 0.00 N ATOM 1386 CA LEU A 109 3.395 7.530 -4.551 1.00 0.00 C ATOM 1387 C LEU A 109 3.729 8.529 -3.452 1.00 0.00 C ATOM 1388 O LEU A 109 4.665 8.350 -2.683 1.00 0.00 O ATOM 1389 CB LEU A 109 2.424 6.487 -4.007 1.00 0.00 C ATOM 1390 CG LEU A 109 1.731 5.659 -5.077 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.755 4.969 -5.951 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.779 4.651 -4.450 1.00 0.00 C ATOM 0 H LEU A 109 4.660 5.883 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 109 2.942 8.090 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.966 5.817 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.666 6.991 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 109 1.140 6.327 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.245 4.380 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.385 5.717 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.373 4.313 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.295 4.070 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.337 3.982 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.022 5.178 -3.869 1.00 0.00 H new ATOM 1404 N GLU A 110 2.929 9.578 -3.383 1.00 0.00 N ATOM 1405 CA GLU A 110 3.098 10.609 -2.368 1.00 0.00 C ATOM 1406 C GLU A 110 1.781 10.857 -1.642 1.00 0.00 C ATOM 1407 O GLU A 110 0.959 11.662 -2.078 1.00 0.00 O ATOM 1408 CB GLU A 110 3.631 11.898 -2.990 1.00 0.00 C ATOM 1409 CG GLU A 110 5.149 11.962 -3.006 1.00 0.00 C ATOM 1410 CD GLU A 110 5.722 11.933 -4.409 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.090 12.509 -5.320 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.802 11.335 -4.598 1.00 0.00 O ATOM 0 H GLU A 110 2.150 9.741 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 110 3.831 10.262 -1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.258 11.985 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.242 12.752 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.475 12.873 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.550 11.123 -2.437 1.00 0.00 H new ATOM 1419 N PHE A 111 1.581 10.144 -0.542 1.00 0.00 N ATOM 1420 CA PHE A 111 0.356 10.264 0.240 1.00 0.00 C ATOM 1421 C PHE A 111 0.661 10.692 1.672 1.00 0.00 C ATOM 1422 O PHE A 111 -0.174 11.406 2.266 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.385 8.925 0.237 1.00 0.00 C ATOM 1424 CG PHE A 111 0.535 7.749 0.363 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.238 7.290 -0.736 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.709 7.114 1.580 1.00 0.00 C ATOM 1427 CE1 PHE A 111 2.098 6.217 -0.625 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.569 6.041 1.699 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.265 5.592 0.594 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.732 10.309 2.188 1.00 0.00 O ATOM 0 H PHE A 111 2.253 9.474 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.273 11.030 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.101 8.910 1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.958 8.835 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.112 7.777 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.166 7.462 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.640 5.867 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.697 5.554 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.939 4.753 0.684 1.00 0.00 H new