USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 1 GLY N :NH3+ -131:sc= 0.0647 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 14:sc= -1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= -1.43! (180deg=-1.88!) USER MOD Single : A 71 CYS SG : rot -42:sc= -3.96! USER MOD Single : A 78 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.6!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -159:sc= -0.0406 (180deg=-0.154) USER MOD Single : A 85 SER OG : rot 157:sc= -2.97! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 92 GLN :FLIP amide:sc= -1.94 F(o=-2.6,f=-1.9) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.306) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.300 9.308 33.246 1.00 0.00 N ATOM 2 CA GLY A 1 18.013 8.243 32.300 1.00 0.00 C ATOM 3 C GLY A 1 18.662 8.526 30.943 1.00 0.00 C ATOM 4 O GLY A 1 19.649 9.255 30.863 1.00 0.00 O ATOM 0 H1 GLY A 1 18.638 8.897 34.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.033 9.933 32.853 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.435 9.857 33.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.380 7.295 32.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.935 8.141 32.177 1.00 0.00 H new ATOM 8 N SER A 2 18.081 7.933 29.911 1.00 0.00 N ATOM 9 CA SER A 2 18.590 8.111 28.561 1.00 0.00 C ATOM 10 C SER A 2 17.542 7.662 27.542 1.00 0.00 C ATOM 11 O SER A 2 16.722 6.792 27.833 1.00 0.00 O ATOM 12 CB SER A 2 19.894 7.338 28.358 1.00 0.00 C ATOM 13 OG SER A 2 19.663 5.948 28.145 1.00 0.00 O ATOM 0 H SER A 2 17.262 7.329 29.982 1.00 0.00 H new ATOM 0 HA SER A 2 18.800 9.170 28.412 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.431 7.751 27.504 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.533 7.470 29.231 1.00 0.00 H new ATOM 0 HG SER A 2 20.520 5.490 28.018 1.00 0.00 H new ATOM 19 N SER A 3 17.602 8.275 26.369 1.00 0.00 N ATOM 20 CA SER A 3 16.667 7.948 25.305 1.00 0.00 C ATOM 21 C SER A 3 15.234 8.215 25.768 1.00 0.00 C ATOM 22 O SER A 3 14.968 8.287 26.967 1.00 0.00 O ATOM 23 CB SER A 3 16.821 6.491 24.866 1.00 0.00 C ATOM 24 OG SER A 3 17.495 6.378 23.616 1.00 0.00 O ATOM 0 H SER A 3 18.283 8.996 26.132 1.00 0.00 H new ATOM 0 HA SER A 3 16.889 8.583 24.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.374 5.940 25.627 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.836 6.029 24.790 1.00 0.00 H new ATOM 0 HG SER A 3 17.575 5.432 23.372 1.00 0.00 H new ATOM 30 N GLY A 4 14.348 8.355 24.793 1.00 0.00 N ATOM 31 CA GLY A 4 12.948 8.612 25.085 1.00 0.00 C ATOM 32 C GLY A 4 12.230 9.191 23.864 1.00 0.00 C ATOM 33 O GLY A 4 12.840 9.378 22.812 1.00 0.00 O ATOM 0 H GLY A 4 14.573 8.295 23.800 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.461 7.686 25.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.869 9.307 25.921 1.00 0.00 H new ATOM 37 N SER A 5 10.945 9.460 24.045 1.00 0.00 N ATOM 38 CA SER A 5 10.138 10.014 22.971 1.00 0.00 C ATOM 39 C SER A 5 10.218 9.111 21.737 1.00 0.00 C ATOM 40 O SER A 5 11.073 9.308 20.875 1.00 0.00 O ATOM 41 CB SER A 5 10.588 11.433 22.620 1.00 0.00 C ATOM 42 OG SER A 5 10.155 11.825 21.320 1.00 0.00 O ATOM 0 H SER A 5 10.443 9.305 24.919 1.00 0.00 H new ATOM 0 HA SER A 5 9.104 10.064 23.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.195 12.131 23.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.675 11.492 22.673 1.00 0.00 H new ATOM 0 HG SER A 5 10.461 12.737 21.135 1.00 0.00 H new ATOM 48 N SER A 6 9.316 8.142 21.693 1.00 0.00 N ATOM 49 CA SER A 6 9.274 7.209 20.580 1.00 0.00 C ATOM 50 C SER A 6 7.821 6.897 20.214 1.00 0.00 C ATOM 51 O SER A 6 7.419 7.058 19.063 1.00 0.00 O ATOM 52 CB SER A 6 10.026 5.920 20.913 1.00 0.00 C ATOM 53 OG SER A 6 11.339 5.909 20.359 1.00 0.00 O ATOM 0 H SER A 6 8.608 7.983 22.410 1.00 0.00 H new ATOM 0 HA SER A 6 9.766 7.673 19.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.088 5.806 21.995 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.466 5.065 20.534 1.00 0.00 H new ATOM 0 HG SER A 6 11.787 5.070 20.596 1.00 0.00 H new ATOM 59 N GLY A 7 7.074 6.456 21.216 1.00 0.00 N ATOM 60 CA GLY A 7 5.675 6.120 21.014 1.00 0.00 C ATOM 61 C GLY A 7 5.102 5.400 22.236 1.00 0.00 C ATOM 62 O GLY A 7 5.087 5.952 23.335 1.00 0.00 O ATOM 0 H GLY A 7 7.411 6.324 22.169 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.103 7.028 20.821 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.573 5.486 20.133 1.00 0.00 H new ATOM 66 N PHE A 8 4.644 4.179 22.003 1.00 0.00 N ATOM 67 CA PHE A 8 4.071 3.378 23.072 1.00 0.00 C ATOM 68 C PHE A 8 4.593 1.941 23.019 1.00 0.00 C ATOM 69 O PHE A 8 4.543 1.296 21.973 1.00 0.00 O ATOM 70 CB PHE A 8 2.556 3.367 22.860 1.00 0.00 C ATOM 71 CG PHE A 8 2.075 2.309 21.864 1.00 0.00 C ATOM 72 CD1 PHE A 8 2.341 2.453 20.538 1.00 0.00 C ATOM 73 CD2 PHE A 8 1.383 1.225 22.305 1.00 0.00 C ATOM 74 CE1 PHE A 8 1.894 1.472 19.614 1.00 0.00 C ATOM 75 CE2 PHE A 8 0.936 0.244 21.381 1.00 0.00 C ATOM 76 CZ PHE A 8 1.201 0.388 20.055 1.00 0.00 C ATOM 0 H PHE A 8 4.658 3.725 21.090 1.00 0.00 H new ATOM 0 HA PHE A 8 4.343 3.799 24.040 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.066 3.198 23.819 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.241 4.350 22.510 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.892 3.313 20.188 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.173 1.110 23.358 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.104 1.587 18.561 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.385 -0.617 21.731 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.861 -0.358 19.352 1.00 0.00 H new ATOM 86 N PHE A 9 5.082 1.480 24.162 1.00 0.00 N ATOM 87 CA PHE A 9 5.612 0.131 24.259 1.00 0.00 C ATOM 88 C PHE A 9 4.485 -0.904 24.233 1.00 0.00 C ATOM 89 O PHE A 9 3.326 -0.571 24.474 1.00 0.00 O ATOM 90 CB PHE A 9 6.346 0.034 25.597 1.00 0.00 C ATOM 91 CG PHE A 9 7.028 -1.315 25.837 1.00 0.00 C ATOM 92 CD1 PHE A 9 7.919 -1.797 24.930 1.00 0.00 C ATOM 93 CD2 PHE A 9 6.742 -2.031 26.958 1.00 0.00 C ATOM 94 CE1 PHE A 9 8.551 -3.049 25.153 1.00 0.00 C ATOM 95 CE2 PHE A 9 7.375 -3.283 27.180 1.00 0.00 C ATOM 96 CZ PHE A 9 8.266 -3.765 26.273 1.00 0.00 C ATOM 0 H PHE A 9 5.122 2.017 25.028 1.00 0.00 H new ATOM 0 HA PHE A 9 6.274 -0.070 23.416 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.097 0.823 25.646 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.636 0.219 26.403 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.146 -1.228 24.041 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.034 -1.648 27.678 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.258 -3.433 24.433 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.149 -3.852 28.069 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.747 -4.717 26.442 1.00 0.00 H new ATOM 106 N LYS A 10 4.865 -2.139 23.938 1.00 0.00 N ATOM 107 CA LYS A 10 3.902 -3.224 23.878 1.00 0.00 C ATOM 108 C LYS A 10 2.961 -3.000 22.692 1.00 0.00 C ATOM 109 O LYS A 10 2.302 -1.965 22.605 1.00 0.00 O ATOM 110 CB LYS A 10 3.178 -3.374 25.217 1.00 0.00 C ATOM 111 CG LYS A 10 3.860 -4.425 26.095 1.00 0.00 C ATOM 112 CD LYS A 10 2.993 -4.774 27.307 1.00 0.00 C ATOM 113 CE LYS A 10 3.787 -5.584 28.333 1.00 0.00 C ATOM 114 NZ LYS A 10 2.884 -6.136 29.368 1.00 0.00 N ATOM 0 H LYS A 10 5.827 -2.412 23.738 1.00 0.00 H new ATOM 0 HA LYS A 10 4.409 -4.174 23.709 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.164 -2.416 25.736 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.140 -3.658 25.043 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.052 -5.324 25.510 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.827 -4.051 26.431 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.622 -3.859 27.769 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.122 -5.344 26.984 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.317 -6.395 27.834 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.541 -4.951 28.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.439 -6.683 30.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.398 -5.357 29.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.180 -6.756 28.919 1.00 0.00 H new ATOM 128 N GLY A 11 2.928 -3.987 21.809 1.00 0.00 N ATOM 129 CA GLY A 11 2.079 -3.910 20.632 1.00 0.00 C ATOM 130 C GLY A 11 2.915 -3.739 19.363 1.00 0.00 C ATOM 131 O GLY A 11 4.077 -3.339 19.429 1.00 0.00 O ATOM 0 H GLY A 11 3.475 -4.844 21.885 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.475 -4.814 20.555 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.388 -3.073 20.732 1.00 0.00 H new ATOM 135 N ALA A 12 2.293 -4.051 18.235 1.00 0.00 N ATOM 136 CA ALA A 12 2.965 -3.937 16.953 1.00 0.00 C ATOM 137 C ALA A 12 1.920 -3.889 15.836 1.00 0.00 C ATOM 138 O ALA A 12 1.535 -4.925 15.296 1.00 0.00 O ATOM 139 CB ALA A 12 3.945 -5.100 16.784 1.00 0.00 C ATOM 0 H ALA A 12 1.330 -4.383 18.183 1.00 0.00 H new ATOM 0 HA ALA A 12 3.543 -3.014 16.904 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.449 -5.014 15.821 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.684 -5.072 17.585 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.401 -6.043 16.825 1.00 0.00 H new ATOM 145 N ALA A 13 1.491 -2.675 15.523 1.00 0.00 N ATOM 146 CA ALA A 13 0.498 -2.478 14.481 1.00 0.00 C ATOM 147 C ALA A 13 -0.774 -3.248 14.842 1.00 0.00 C ATOM 148 O ALA A 13 -0.788 -4.477 14.815 1.00 0.00 O ATOM 149 CB ALA A 13 1.079 -2.911 13.133 1.00 0.00 C ATOM 0 H ALA A 13 1.813 -1.818 15.973 1.00 0.00 H new ATOM 0 HA ALA A 13 0.233 -1.424 14.398 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.334 -2.763 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.963 -2.314 12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.354 -3.965 13.177 1.00 0.00 H new ATOM 155 N SER A 14 -1.811 -2.492 15.172 1.00 0.00 N ATOM 156 CA SER A 14 -3.085 -3.088 15.538 1.00 0.00 C ATOM 157 C SER A 14 -4.210 -2.470 14.706 1.00 0.00 C ATOM 158 O SER A 14 -4.153 -1.293 14.356 1.00 0.00 O ATOM 159 CB SER A 14 -3.368 -2.908 17.031 1.00 0.00 C ATOM 160 OG SER A 14 -4.044 -4.033 17.585 1.00 0.00 O ATOM 0 H SER A 14 -1.795 -1.472 15.194 1.00 0.00 H new ATOM 0 HA SER A 14 -3.035 -4.157 15.332 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.429 -2.752 17.562 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.971 -2.013 17.180 1.00 0.00 H new ATOM 0 HG SER A 14 -4.205 -3.880 18.540 1.00 0.00 H new ATOM 166 N SER A 15 -5.207 -3.292 14.414 1.00 0.00 N ATOM 167 CA SER A 15 -6.344 -2.841 13.630 1.00 0.00 C ATOM 168 C SER A 15 -5.913 -2.580 12.186 1.00 0.00 C ATOM 169 O SER A 15 -4.839 -2.030 11.945 1.00 0.00 O ATOM 170 CB SER A 15 -6.965 -1.581 14.235 1.00 0.00 C ATOM 171 OG SER A 15 -8.200 -1.856 14.892 1.00 0.00 O ATOM 0 H SER A 15 -5.251 -4.268 14.706 1.00 0.00 H new ATOM 0 HA SER A 15 -7.100 -3.626 13.640 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.267 -1.138 14.946 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.129 -0.844 13.449 1.00 0.00 H new ATOM 0 HG SER A 15 -8.563 -1.026 15.266 1.00 0.00 H new ATOM 177 N VAL A 16 -6.772 -2.986 11.263 1.00 0.00 N ATOM 178 CA VAL A 16 -6.494 -2.802 9.849 1.00 0.00 C ATOM 179 C VAL A 16 -7.667 -2.072 9.193 1.00 0.00 C ATOM 180 O VAL A 16 -8.826 -2.388 9.457 1.00 0.00 O ATOM 181 CB VAL A 16 -6.190 -4.152 9.196 1.00 0.00 C ATOM 182 CG1 VAL A 16 -5.836 -3.979 7.717 1.00 0.00 C ATOM 183 CG2 VAL A 16 -5.074 -4.885 9.944 1.00 0.00 C ATOM 0 H VAL A 16 -7.661 -3.442 11.467 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.608 -2.182 9.712 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.091 -4.763 9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.624 -4.954 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.674 -3.519 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.957 -3.341 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.878 -5.841 9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.168 -4.279 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.380 -5.058 10.976 1.00 0.00 H new ATOM 193 N LEU A 17 -7.326 -1.108 8.349 1.00 0.00 N ATOM 194 CA LEU A 17 -8.336 -0.330 7.654 1.00 0.00 C ATOM 195 C LEU A 17 -9.133 -1.250 6.726 1.00 0.00 C ATOM 196 O LEU A 17 -8.559 -2.100 6.047 1.00 0.00 O ATOM 197 CB LEU A 17 -7.697 0.861 6.938 1.00 0.00 C ATOM 198 CG LEU A 17 -7.395 2.083 7.807 1.00 0.00 C ATOM 199 CD1 LEU A 17 -6.468 3.059 7.079 1.00 0.00 C ATOM 200 CD2 LEU A 17 -8.688 2.758 8.271 1.00 0.00 C ATOM 0 H LEU A 17 -6.364 -0.849 8.131 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.043 0.097 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.766 0.527 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.358 1.170 6.128 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.869 1.746 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.270 3.919 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.529 2.560 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.944 3.395 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.446 3.624 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.262 3.080 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.278 2.051 8.854 1.00 0.00 H new ATOM 212 N GLU A 18 -10.442 -1.048 6.726 1.00 0.00 N ATOM 213 CA GLU A 18 -11.323 -1.848 5.893 1.00 0.00 C ATOM 214 C GLU A 18 -11.467 -1.212 4.509 1.00 0.00 C ATOM 215 O GLU A 18 -11.889 -0.063 4.391 1.00 0.00 O ATOM 216 CB GLU A 18 -12.689 -2.031 6.557 1.00 0.00 C ATOM 217 CG GLU A 18 -13.747 -2.445 5.532 1.00 0.00 C ATOM 218 CD GLU A 18 -14.751 -3.424 6.144 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.308 -3.074 7.207 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.939 -4.499 5.535 1.00 0.00 O ATOM 0 H GLU A 18 -10.914 -0.341 7.290 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.879 -2.836 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.619 -2.788 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.990 -1.101 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.271 -1.561 5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.263 -2.906 4.671 1.00 0.00 H new ATOM 227 N LEU A 19 -11.109 -1.988 3.496 1.00 0.00 N ATOM 228 CA LEU A 19 -11.193 -1.515 2.125 1.00 0.00 C ATOM 229 C LEU A 19 -12.662 -1.306 1.751 1.00 0.00 C ATOM 230 O LEU A 19 -13.548 -1.465 2.590 1.00 0.00 O ATOM 231 CB LEU A 19 -10.448 -2.465 1.184 1.00 0.00 C ATOM 232 CG LEU A 19 -8.921 -2.368 1.204 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.449 -1.036 0.617 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.376 -2.599 2.615 1.00 0.00 C ATOM 0 H LEU A 19 -10.760 -2.941 3.598 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.697 -0.549 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.731 -3.488 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.791 -2.279 0.166 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.519 -3.159 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.360 -0.992 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.791 -0.951 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.859 -0.214 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.289 -2.525 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.783 -1.846 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.668 -3.591 2.960 1.00 0.00 H new ATOM 246 N THR A 20 -12.874 -0.952 0.492 1.00 0.00 N ATOM 247 CA THR A 20 -14.221 -0.720 -0.003 1.00 0.00 C ATOM 248 C THR A 20 -14.333 -1.151 -1.466 1.00 0.00 C ATOM 249 O THR A 20 -13.322 -1.358 -2.135 1.00 0.00 O ATOM 250 CB THR A 20 -14.559 0.755 0.224 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.824 1.439 -0.787 1.00 0.00 O ATOM 252 CG2 THR A 20 -13.981 1.294 1.534 1.00 0.00 C ATOM 0 H THR A 20 -12.136 -0.820 -0.200 1.00 0.00 H new ATOM 0 HA THR A 20 -14.951 -1.323 0.537 1.00 0.00 H new ATOM 0 HB THR A 20 -15.641 0.883 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.987 2.403 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.250 2.344 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.385 0.725 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.895 1.197 1.520 1.00 0.00 H new ATOM 260 N GLU A 21 -15.571 -1.274 -1.920 1.00 0.00 N ATOM 261 CA GLU A 21 -15.829 -1.676 -3.292 1.00 0.00 C ATOM 262 C GLU A 21 -14.870 -0.959 -4.245 1.00 0.00 C ATOM 263 O GLU A 21 -14.406 -1.545 -5.222 1.00 0.00 O ATOM 264 CB GLU A 21 -17.285 -1.411 -3.678 1.00 0.00 C ATOM 265 CG GLU A 21 -17.814 -2.503 -4.610 1.00 0.00 C ATOM 266 CD GLU A 21 -18.787 -1.922 -5.639 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.292 -1.452 -6.686 1.00 0.00 O ATOM 268 OE2 GLU A 21 -20.003 -1.961 -5.354 1.00 0.00 O ATOM 0 H GLU A 21 -16.407 -1.102 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.656 -2.749 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.900 -1.366 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.364 -0.440 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.981 -2.983 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.315 -3.274 -4.025 1.00 0.00 H new ATOM 275 N ALA A 22 -14.603 0.299 -3.928 1.00 0.00 N ATOM 276 CA ALA A 22 -13.708 1.103 -4.743 1.00 0.00 C ATOM 277 C ALA A 22 -12.264 0.860 -4.299 1.00 0.00 C ATOM 278 O ALA A 22 -11.446 0.369 -5.076 1.00 0.00 O ATOM 279 CB ALA A 22 -14.109 2.576 -4.642 1.00 0.00 C ATOM 0 H ALA A 22 -14.991 0.782 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.783 0.816 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.437 3.179 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.132 2.700 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.044 2.901 -3.603 1.00 0.00 H new ATOM 285 N GLU A 23 -11.995 1.215 -3.051 1.00 0.00 N ATOM 286 CA GLU A 23 -10.664 1.041 -2.495 1.00 0.00 C ATOM 287 C GLU A 23 -10.091 -0.318 -2.901 1.00 0.00 C ATOM 288 O GLU A 23 -8.952 -0.405 -3.356 1.00 0.00 O ATOM 289 CB GLU A 23 -10.681 1.196 -0.973 1.00 0.00 C ATOM 290 CG GLU A 23 -10.299 2.620 -0.562 1.00 0.00 C ATOM 291 CD GLU A 23 -10.881 2.970 0.809 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.610 2.199 1.754 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.584 4.001 0.880 1.00 0.00 O ATOM 0 H GLU A 23 -12.676 1.622 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.019 1.820 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.673 0.957 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.987 0.486 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.214 2.716 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.663 3.327 -1.307 1.00 0.00 H new ATOM 300 N LEU A 24 -10.909 -1.346 -2.723 1.00 0.00 N ATOM 301 CA LEU A 24 -10.498 -2.697 -3.065 1.00 0.00 C ATOM 302 C LEU A 24 -9.865 -2.695 -4.458 1.00 0.00 C ATOM 303 O LEU A 24 -8.760 -3.204 -4.642 1.00 0.00 O ATOM 304 CB LEU A 24 -11.674 -3.666 -2.925 1.00 0.00 C ATOM 305 CG LEU A 24 -11.858 -4.302 -1.545 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.076 -5.227 -1.527 1.00 0.00 C ATOM 307 CD2 LEU A 24 -10.584 -5.023 -1.100 1.00 0.00 C ATOM 0 H LEU A 24 -11.854 -1.270 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.738 -3.052 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.590 -3.134 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.551 -4.464 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.047 -3.507 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.185 -5.666 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.971 -4.655 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.941 -6.020 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.741 -5.466 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.341 -5.807 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.761 -4.310 -1.049 1.00 0.00 H new ATOM 319 N VAL A 25 -10.592 -2.118 -5.403 1.00 0.00 N ATOM 320 CA VAL A 25 -10.116 -2.044 -6.773 1.00 0.00 C ATOM 321 C VAL A 25 -8.733 -1.391 -6.793 1.00 0.00 C ATOM 322 O VAL A 25 -7.797 -1.928 -7.383 1.00 0.00 O ATOM 323 CB VAL A 25 -11.137 -1.309 -7.643 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.603 -1.105 -9.063 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.476 -2.049 -7.662 1.00 0.00 C ATOM 0 H VAL A 25 -11.508 -1.697 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.010 -3.043 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.304 -0.326 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.349 -0.580 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.687 -0.515 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.392 -2.074 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.184 -1.505 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.332 -3.052 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.868 -2.118 -6.647 1.00 0.00 H new ATOM 335 N THR A 26 -8.647 -0.241 -6.141 1.00 0.00 N ATOM 336 CA THR A 26 -7.394 0.492 -6.076 1.00 0.00 C ATOM 337 C THR A 26 -6.301 -0.376 -5.448 1.00 0.00 C ATOM 338 O THR A 26 -5.181 -0.432 -5.954 1.00 0.00 O ATOM 339 CB THR A 26 -7.647 1.795 -5.316 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.346 2.612 -6.250 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.357 2.569 -5.036 1.00 0.00 C ATOM 0 H THR A 26 -9.425 0.202 -5.653 1.00 0.00 H new ATOM 0 HA THR A 26 -7.032 0.746 -7.072 1.00 0.00 H new ATOM 0 HB THR A 26 -8.150 1.574 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.552 3.477 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.593 3.485 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.687 1.954 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.871 2.819 -5.979 1.00 0.00 H new ATOM 349 N ALA A 27 -6.665 -1.030 -4.355 1.00 0.00 N ATOM 350 CA ALA A 27 -5.729 -1.892 -3.653 1.00 0.00 C ATOM 351 C ALA A 27 -5.216 -2.969 -4.612 1.00 0.00 C ATOM 352 O ALA A 27 -4.040 -3.328 -4.576 1.00 0.00 O ATOM 353 CB ALA A 27 -6.410 -2.487 -2.419 1.00 0.00 C ATOM 0 H ALA A 27 -7.595 -0.981 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.867 -1.321 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.708 -3.134 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.730 -1.683 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.278 -3.069 -2.728 1.00 0.00 H new ATOM 359 N GLU A 28 -6.124 -3.454 -5.446 1.00 0.00 N ATOM 360 CA GLU A 28 -5.778 -4.483 -6.413 1.00 0.00 C ATOM 361 C GLU A 28 -4.887 -3.900 -7.511 1.00 0.00 C ATOM 362 O GLU A 28 -4.021 -4.592 -8.045 1.00 0.00 O ATOM 363 CB GLU A 28 -7.035 -5.121 -7.007 1.00 0.00 C ATOM 364 CG GLU A 28 -7.560 -6.240 -6.106 1.00 0.00 C ATOM 365 CD GLU A 28 -7.440 -7.601 -6.795 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.287 -7.994 -7.078 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.503 -8.218 -7.024 1.00 0.00 O ATOM 0 H GLU A 28 -7.099 -3.154 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.222 -5.267 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.806 -4.362 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.812 -5.520 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.000 -6.251 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.602 -6.048 -5.851 1.00 0.00 H new ATOM 374 N ALA A 29 -5.130 -2.634 -7.817 1.00 0.00 N ATOM 375 CA ALA A 29 -4.360 -1.951 -8.843 1.00 0.00 C ATOM 376 C ALA A 29 -2.905 -1.827 -8.385 1.00 0.00 C ATOM 377 O ALA A 29 -1.989 -1.847 -9.205 1.00 0.00 O ATOM 378 CB ALA A 29 -4.996 -0.591 -9.138 1.00 0.00 C ATOM 0 H ALA A 29 -5.849 -2.063 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.366 -2.522 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.419 -0.079 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.018 -0.736 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.005 0.011 -8.230 1.00 0.00 H new ATOM 384 N VAL A 30 -2.739 -1.702 -7.076 1.00 0.00 N ATOM 385 CA VAL A 30 -1.412 -1.574 -6.499 1.00 0.00 C ATOM 386 C VAL A 30 -0.709 -2.933 -6.543 1.00 0.00 C ATOM 387 O VAL A 30 0.481 -3.011 -6.842 1.00 0.00 O ATOM 388 CB VAL A 30 -1.509 -0.997 -5.086 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.230 -1.271 -4.292 1.00 0.00 C ATOM 390 CG2 VAL A 30 -1.818 0.501 -5.126 1.00 0.00 C ATOM 0 H VAL A 30 -3.502 -1.687 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.809 -0.876 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.333 -1.496 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.326 -0.850 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.070 -2.347 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.618 -0.812 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.882 0.887 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.025 1.022 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.768 0.663 -5.636 1.00 0.00 H new ATOM 400 N ARG A 31 -1.476 -3.970 -6.240 1.00 0.00 N ATOM 401 CA ARG A 31 -0.942 -5.321 -6.241 1.00 0.00 C ATOM 402 C ARG A 31 -0.259 -5.621 -7.577 1.00 0.00 C ATOM 403 O ARG A 31 0.793 -6.257 -7.611 1.00 0.00 O ATOM 404 CB ARG A 31 -2.048 -6.351 -5.999 1.00 0.00 C ATOM 405 CG ARG A 31 -1.548 -7.493 -5.112 1.00 0.00 C ATOM 406 CD ARG A 31 -2.717 -8.326 -4.581 1.00 0.00 C ATOM 407 NE ARG A 31 -3.719 -7.443 -3.945 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.947 -7.839 -3.582 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.331 -9.106 -3.790 1.00 0.00 N ATOM 410 NH2 ARG A 31 -5.790 -6.969 -3.010 1.00 0.00 N ATOM 0 H ARG A 31 -2.463 -3.902 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.214 -5.390 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.904 -5.867 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.393 -6.751 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.871 -8.131 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.977 -7.087 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.177 -8.884 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.355 -9.058 -3.859 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.459 -6.472 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.689 -9.769 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.265 -9.408 -3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.497 -6.005 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.724 -7.271 -2.734 1.00 0.00 H new ATOM 424 N SER A 32 -0.886 -5.149 -8.644 1.00 0.00 N ATOM 425 CA SER A 32 -0.351 -5.359 -9.979 1.00 0.00 C ATOM 426 C SER A 32 1.030 -4.712 -10.098 1.00 0.00 C ATOM 427 O SER A 32 1.957 -5.313 -10.639 1.00 0.00 O ATOM 428 CB SER A 32 -1.294 -4.796 -11.045 1.00 0.00 C ATOM 429 OG SER A 32 -1.483 -5.705 -12.125 1.00 0.00 O ATOM 0 H SER A 32 -1.759 -4.622 -8.612 1.00 0.00 H new ATOM 0 HA SER A 32 -0.258 -6.432 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.258 -4.567 -10.591 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.891 -3.858 -11.427 1.00 0.00 H new ATOM 0 HG SER A 32 -2.092 -5.309 -12.783 1.00 0.00 H new ATOM 435 N VAL A 33 1.125 -3.495 -9.582 1.00 0.00 N ATOM 436 CA VAL A 33 2.377 -2.760 -9.623 1.00 0.00 C ATOM 437 C VAL A 33 3.476 -3.597 -8.966 1.00 0.00 C ATOM 438 O VAL A 33 4.636 -3.532 -9.370 1.00 0.00 O ATOM 439 CB VAL A 33 2.200 -1.387 -8.972 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.460 -0.535 -9.137 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.973 -0.667 -9.534 1.00 0.00 C ATOM 0 H VAL A 33 0.354 -3.000 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 33 2.680 -2.578 -10.654 1.00 0.00 H new ATOM 0 HB VAL A 33 2.038 -1.541 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.307 0.436 -8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.304 -1.039 -8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.668 -0.394 -10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.871 0.306 -9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.092 -0.531 -10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.081 -1.263 -9.340 1.00 0.00 H new ATOM 451 N TRP A 34 3.072 -4.363 -7.963 1.00 0.00 N ATOM 452 CA TRP A 34 4.009 -5.212 -7.246 1.00 0.00 C ATOM 453 C TRP A 34 4.339 -6.411 -8.137 1.00 0.00 C ATOM 454 O TRP A 34 5.498 -6.809 -8.243 1.00 0.00 O ATOM 455 CB TRP A 34 3.446 -5.618 -5.882 1.00 0.00 C ATOM 456 CG TRP A 34 3.530 -4.519 -4.822 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.297 -3.208 -4.972 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.882 -4.689 -3.433 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.473 -2.524 -3.787 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.840 -3.453 -2.821 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.226 -5.850 -2.717 1.00 0.00 C ATOM 462 CZ2 TRP A 34 4.130 -3.259 -1.465 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.512 -5.638 -1.363 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.474 -4.400 -0.732 1.00 0.00 C ATOM 0 H TRP A 34 2.109 -4.414 -7.630 1.00 0.00 H new ATOM 0 HA TRP A 34 4.932 -4.673 -7.032 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.404 -5.912 -6.004 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.985 -6.495 -5.524 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.008 -2.745 -5.904 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.355 -1.521 -3.646 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.266 -6.827 -3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.090 -2.281 -1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.781 -6.497 -0.767 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.709 -4.319 0.319 1.00 0.00 H new ATOM 475 N GLN A 35 3.300 -6.952 -8.756 1.00 0.00 N ATOM 476 CA GLN A 35 3.466 -8.097 -9.635 1.00 0.00 C ATOM 477 C GLN A 35 4.317 -7.716 -10.848 1.00 0.00 C ATOM 478 O GLN A 35 5.358 -8.323 -11.096 1.00 0.00 O ATOM 479 CB GLN A 35 2.109 -8.655 -10.070 1.00 0.00 C ATOM 480 CG GLN A 35 1.359 -9.261 -8.882 1.00 0.00 C ATOM 481 CD GLN A 35 1.010 -10.728 -9.144 1.00 0.00 C ATOM 482 OE1 GLN A 35 1.982 -11.580 -8.830 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 -0.070 -11.063 -9.601 1.00 0.00 N flip ATOM 0 H GLN A 35 2.340 -6.619 -8.666 1.00 0.00 H new ATOM 0 HA GLN A 35 3.985 -8.882 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.511 -7.860 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.253 -9.414 -10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.971 -9.184 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.447 -8.694 -8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.772 -10.357 -9.820 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.271 -12.050 -9.764 1.00 0.00 H new ATOM 492 N ARG A 36 3.842 -6.714 -11.573 1.00 0.00 N ATOM 493 CA ARG A 36 4.546 -6.245 -12.754 1.00 0.00 C ATOM 494 C ARG A 36 5.990 -5.884 -12.403 1.00 0.00 C ATOM 495 O ARG A 36 6.869 -5.918 -13.263 1.00 0.00 O ATOM 496 CB ARG A 36 3.854 -5.021 -13.358 1.00 0.00 C ATOM 497 CG ARG A 36 3.691 -3.913 -12.315 1.00 0.00 C ATOM 498 CD ARG A 36 4.209 -2.576 -12.850 1.00 0.00 C ATOM 499 NE ARG A 36 3.206 -1.514 -12.612 1.00 0.00 N ATOM 500 CZ ARG A 36 2.210 -1.218 -13.458 1.00 0.00 C ATOM 501 NH1 ARG A 36 2.078 -1.902 -14.603 1.00 0.00 N ATOM 502 NH2 ARG A 36 1.347 -0.237 -13.160 1.00 0.00 N ATOM 0 H ARG A 36 2.978 -6.214 -11.365 1.00 0.00 H new ATOM 0 HA ARG A 36 4.538 -7.052 -13.487 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.436 -4.649 -14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.876 -5.306 -13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.640 -3.817 -12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.233 -4.180 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.148 -2.318 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.418 -2.658 -13.917 1.00 0.00 H new ATOM 0 HE ARG A 36 3.277 -0.974 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.736 -2.648 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.320 -1.677 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.448 0.284 -12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.589 -0.012 -13.804 1.00 0.00 H new ATOM 516 N ILE A 37 6.191 -5.547 -11.137 1.00 0.00 N ATOM 517 CA ILE A 37 7.515 -5.181 -10.661 1.00 0.00 C ATOM 518 C ILE A 37 8.264 -6.443 -10.229 1.00 0.00 C ATOM 519 O ILE A 37 9.466 -6.564 -10.460 1.00 0.00 O ATOM 520 CB ILE A 37 7.414 -4.119 -9.564 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.098 -2.745 -10.158 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.681 -4.095 -8.707 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.952 -1.692 -9.057 1.00 0.00 C ATOM 0 H ILE A 37 5.460 -5.520 -10.427 1.00 0.00 H new ATOM 0 HA ILE A 37 8.096 -4.725 -11.462 1.00 0.00 H new ATOM 0 HB ILE A 37 6.585 -4.384 -8.907 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.892 -2.451 -10.845 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.177 -2.799 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.584 -3.332 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.822 -5.069 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.541 -3.867 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.728 -0.725 -9.506 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.142 -1.977 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.883 -1.623 -8.494 1.00 0.00 H new ATOM 535 N LEU A 38 7.523 -7.349 -9.610 1.00 0.00 N ATOM 536 CA LEU A 38 8.103 -8.598 -9.143 1.00 0.00 C ATOM 537 C LEU A 38 7.688 -9.731 -10.084 1.00 0.00 C ATOM 538 O LEU A 38 6.548 -10.190 -10.043 1.00 0.00 O ATOM 539 CB LEU A 38 7.733 -8.846 -7.680 1.00 0.00 C ATOM 540 CG LEU A 38 8.017 -7.696 -6.711 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.153 -7.813 -5.454 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.508 -7.616 -6.377 1.00 0.00 C ATOM 0 H LEU A 38 6.526 -7.244 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 38 9.191 -8.546 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.670 -9.083 -7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.272 -9.728 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 38 7.747 -6.761 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.374 -6.984 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.100 -7.783 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.369 -8.755 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.682 -6.791 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.828 -8.550 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.077 -7.451 -7.292 1.00 0.00 H new ATOM 554 N PRO A 39 8.661 -10.160 -10.931 1.00 0.00 N ATOM 555 CA PRO A 39 8.408 -11.231 -11.880 1.00 0.00 C ATOM 556 C PRO A 39 8.372 -12.589 -11.178 1.00 0.00 C ATOM 557 O PRO A 39 7.330 -13.240 -11.130 1.00 0.00 O ATOM 558 CB PRO A 39 9.526 -11.121 -12.904 1.00 0.00 C ATOM 559 CG PRO A 39 10.618 -10.297 -12.242 1.00 0.00 C ATOM 560 CD PRO A 39 10.023 -9.640 -11.008 1.00 0.00 C ATOM 0 HA PRO A 39 7.434 -11.145 -12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.897 -12.107 -13.185 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.174 -10.641 -13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.461 -10.931 -11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.997 -9.542 -12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.593 -9.889 -10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.028 -8.554 -11.097 1.00 0.00 H new ATOM 568 N LYS A 40 9.524 -12.977 -10.650 1.00 0.00 N ATOM 569 CA LYS A 40 9.638 -14.246 -9.952 1.00 0.00 C ATOM 570 C LYS A 40 8.379 -14.477 -9.114 1.00 0.00 C ATOM 571 O LYS A 40 7.969 -15.618 -8.903 1.00 0.00 O ATOM 572 CB LYS A 40 10.934 -14.298 -9.141 1.00 0.00 C ATOM 573 CG LYS A 40 12.157 -14.200 -10.056 1.00 0.00 C ATOM 574 CD LYS A 40 13.257 -15.164 -9.607 1.00 0.00 C ATOM 575 CE LYS A 40 14.497 -14.401 -9.136 1.00 0.00 C ATOM 576 NZ LYS A 40 15.727 -15.145 -9.488 1.00 0.00 N ATOM 0 H LYS A 40 10.387 -12.434 -10.692 1.00 0.00 H new ATOM 0 HA LYS A 40 9.703 -15.068 -10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.949 -13.481 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.974 -15.227 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.867 -14.426 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.539 -13.179 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.885 -15.795 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.524 -15.826 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.519 -13.412 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.451 -14.251 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.559 -14.614 -9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.711 -16.079 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.776 -15.266 -10.520 1.00 0.00 H new ATOM 590 N VAL A 41 7.800 -13.376 -8.658 1.00 0.00 N ATOM 591 CA VAL A 41 6.596 -13.444 -7.847 1.00 0.00 C ATOM 592 C VAL A 41 5.408 -13.815 -8.737 1.00 0.00 C ATOM 593 O VAL A 41 4.947 -13.001 -9.535 1.00 0.00 O ATOM 594 CB VAL A 41 6.393 -12.125 -7.100 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.047 -12.107 -6.373 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.545 -11.863 -6.127 1.00 0.00 C ATOM 0 H VAL A 41 8.142 -12.432 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 41 6.690 -14.221 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 41 6.386 -11.321 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.929 -11.158 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.241 -12.226 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.011 -12.925 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.376 -10.919 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.597 -12.672 -5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.483 -11.811 -6.679 1.00 0.00 H new ATOM 606 N LEU A 42 4.946 -15.046 -8.569 1.00 0.00 N ATOM 607 CA LEU A 42 3.820 -15.535 -9.347 1.00 0.00 C ATOM 608 C LEU A 42 2.528 -14.912 -8.814 1.00 0.00 C ATOM 609 O LEU A 42 1.615 -14.614 -9.582 1.00 0.00 O ATOM 610 CB LEU A 42 3.804 -17.065 -9.363 1.00 0.00 C ATOM 611 CG LEU A 42 4.538 -17.731 -10.529 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.305 -18.968 -10.059 1.00 0.00 C ATOM 613 CD2 LEU A 42 3.573 -18.053 -11.672 1.00 0.00 C ATOM 0 H LEU A 42 5.331 -15.719 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 42 3.916 -15.229 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.242 -17.423 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.766 -17.398 -9.375 1.00 0.00 H new ATOM 0 HG LEU A 42 5.273 -17.026 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.818 -19.422 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.037 -18.678 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.608 -19.687 -9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.120 -18.526 -12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.798 -18.731 -11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.112 -17.132 -12.030 1.00 0.00 H new ATOM 625 N GLU A 43 2.493 -14.734 -7.501 1.00 0.00 N ATOM 626 CA GLU A 43 1.328 -14.153 -6.856 1.00 0.00 C ATOM 627 C GLU A 43 1.757 -13.260 -5.690 1.00 0.00 C ATOM 628 O GLU A 43 2.755 -13.537 -5.026 1.00 0.00 O ATOM 629 CB GLU A 43 0.361 -15.241 -6.386 1.00 0.00 C ATOM 630 CG GLU A 43 0.899 -15.953 -5.143 1.00 0.00 C ATOM 631 CD GLU A 43 0.439 -17.412 -5.105 1.00 0.00 C ATOM 632 OE1 GLU A 43 1.040 -18.216 -5.850 1.00 0.00 O ATOM 633 OE2 GLU A 43 -0.504 -17.690 -4.333 1.00 0.00 O ATOM 0 H GLU A 43 3.253 -14.982 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 43 0.803 -13.537 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.610 -14.798 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.206 -15.965 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.988 -15.911 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.556 -15.436 -4.247 1.00 0.00 H new ATOM 640 N VAL A 44 0.983 -12.206 -5.477 1.00 0.00 N ATOM 641 CA VAL A 44 1.270 -11.271 -4.403 1.00 0.00 C ATOM 642 C VAL A 44 0.196 -11.397 -3.321 1.00 0.00 C ATOM 643 O VAL A 44 -0.949 -11.738 -3.615 1.00 0.00 O ATOM 644 CB VAL A 44 1.391 -9.852 -4.962 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.008 -8.812 -3.908 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.800 -9.594 -5.501 1.00 0.00 C ATOM 0 H VAL A 44 0.157 -11.979 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 44 2.228 -11.506 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 44 0.692 -9.759 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.103 -7.812 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.022 -8.976 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.670 -8.905 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.859 -8.578 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.525 -9.716 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.020 -10.304 -6.298 1.00 0.00 H new ATOM 656 N GLU A 45 0.603 -11.117 -2.092 1.00 0.00 N ATOM 657 CA GLU A 45 -0.311 -11.194 -0.965 1.00 0.00 C ATOM 658 C GLU A 45 -0.016 -10.075 0.036 1.00 0.00 C ATOM 659 O GLU A 45 0.856 -9.240 -0.200 1.00 0.00 O ATOM 660 CB GLU A 45 -0.235 -12.566 -0.291 1.00 0.00 C ATOM 661 CG GLU A 45 1.216 -12.957 -0.004 1.00 0.00 C ATOM 662 CD GLU A 45 1.502 -14.386 -0.471 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.856 -14.534 -1.660 1.00 0.00 O ATOM 664 OE2 GLU A 45 1.359 -15.297 0.372 1.00 0.00 O ATOM 0 H GLU A 45 1.554 -10.836 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.327 -11.063 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.802 -12.550 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.697 -13.316 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.890 -12.264 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.414 -12.873 1.065 1.00 0.00 H new ATOM 671 N ASP A 46 -0.759 -10.095 1.133 1.00 0.00 N ATOM 672 CA ASP A 46 -0.588 -9.092 2.170 1.00 0.00 C ATOM 673 C ASP A 46 0.537 -9.526 3.113 1.00 0.00 C ATOM 674 O ASP A 46 0.830 -8.841 4.092 1.00 0.00 O ATOM 675 CB ASP A 46 -1.864 -8.934 2.999 1.00 0.00 C ATOM 676 CG ASP A 46 -2.822 -7.846 2.510 1.00 0.00 C ATOM 677 OD1 ASP A 46 -2.962 -7.727 1.274 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.392 -7.157 3.384 1.00 0.00 O ATOM 0 H ASP A 46 -1.480 -10.790 1.326 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.352 -8.144 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.394 -9.886 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.585 -8.715 4.030 1.00 0.00 H new ATOM 683 N SER A 47 1.136 -10.661 2.784 1.00 0.00 N ATOM 684 CA SER A 47 2.222 -11.194 3.588 1.00 0.00 C ATOM 685 C SER A 47 3.554 -11.010 2.857 1.00 0.00 C ATOM 686 O SER A 47 4.617 -11.068 3.473 1.00 0.00 O ATOM 687 CB SER A 47 1.994 -12.672 3.912 1.00 0.00 C ATOM 688 OG SER A 47 0.888 -12.862 4.790 1.00 0.00 O ATOM 0 H SER A 47 0.890 -11.226 1.971 1.00 0.00 H new ATOM 0 HA SER A 47 2.252 -10.644 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.822 -13.223 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.894 -13.086 4.367 1.00 0.00 H new ATOM 0 HG SER A 47 0.775 -13.818 4.971 1.00 0.00 H new ATOM 694 N THR A 48 3.452 -10.792 1.555 1.00 0.00 N ATOM 695 CA THR A 48 4.636 -10.599 0.734 1.00 0.00 C ATOM 696 C THR A 48 5.306 -9.266 1.069 1.00 0.00 C ATOM 697 O THR A 48 4.635 -8.243 1.192 1.00 0.00 O ATOM 698 CB THR A 48 4.217 -10.717 -0.733 1.00 0.00 C ATOM 699 OG1 THR A 48 4.562 -12.054 -1.087 1.00 0.00 O ATOM 700 CG2 THR A 48 5.077 -9.853 -1.658 1.00 0.00 C ATOM 0 H THR A 48 2.568 -10.745 1.048 1.00 0.00 H new ATOM 0 HA THR A 48 5.387 -11.363 0.936 1.00 0.00 H new ATOM 0 HB THR A 48 3.171 -10.429 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.322 -12.217 -2.023 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.738 -9.973 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.987 -8.807 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.119 -10.163 -1.581 1.00 0.00 H new ATOM 708 N ASP A 49 6.623 -9.320 1.208 1.00 0.00 N ATOM 709 CA ASP A 49 7.392 -8.130 1.527 1.00 0.00 C ATOM 710 C ASP A 49 8.050 -7.596 0.254 1.00 0.00 C ATOM 711 O ASP A 49 8.827 -8.300 -0.389 1.00 0.00 O ATOM 712 CB ASP A 49 8.498 -8.443 2.536 1.00 0.00 C ATOM 713 CG ASP A 49 8.772 -7.338 3.559 1.00 0.00 C ATOM 714 OD1 ASP A 49 8.065 -7.330 4.589 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.684 -6.527 3.287 1.00 0.00 O ATOM 0 H ASP A 49 7.177 -10.170 1.105 1.00 0.00 H new ATOM 0 HA ASP A 49 6.711 -7.394 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.234 -9.355 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.419 -8.649 1.991 1.00 0.00 H new ATOM 720 N PHE A 50 7.715 -6.357 -0.073 1.00 0.00 N ATOM 721 CA PHE A 50 8.264 -5.721 -1.259 1.00 0.00 C ATOM 722 C PHE A 50 9.731 -6.107 -1.459 1.00 0.00 C ATOM 723 O PHE A 50 10.139 -6.457 -2.565 1.00 0.00 O ATOM 724 CB PHE A 50 8.172 -4.210 -1.039 1.00 0.00 C ATOM 725 CG PHE A 50 8.376 -3.383 -2.310 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.630 -3.642 -3.417 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.304 -2.388 -2.333 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.819 -2.874 -4.597 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.493 -1.621 -3.512 1.00 0.00 C ATOM 730 CZ PHE A 50 8.747 -1.880 -4.619 1.00 0.00 C ATOM 0 H PHE A 50 7.070 -5.776 0.463 1.00 0.00 H new ATOM 0 HA PHE A 50 7.709 -6.038 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.195 -3.973 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.918 -3.914 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.894 -4.432 -3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.897 -2.182 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.226 -3.079 -5.476 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.230 -0.831 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.891 -1.296 -5.516 1.00 0.00 H new ATOM 740 N PHE A 51 10.483 -6.031 -0.371 1.00 0.00 N ATOM 741 CA PHE A 51 11.896 -6.368 -0.413 1.00 0.00 C ATOM 742 C PHE A 51 12.095 -7.878 -0.567 1.00 0.00 C ATOM 743 O PHE A 51 12.663 -8.335 -1.558 1.00 0.00 O ATOM 744 CB PHE A 51 12.503 -5.919 0.918 1.00 0.00 C ATOM 745 CG PHE A 51 12.325 -4.428 1.211 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.735 -3.503 0.302 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.759 -4.027 2.381 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.570 -2.119 0.574 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.594 -2.643 2.652 1.00 0.00 C ATOM 750 CZ PHE A 51 12.004 -1.718 1.743 1.00 0.00 C ATOM 0 H PHE A 51 10.141 -5.741 0.545 1.00 0.00 H new ATOM 0 HA PHE A 51 12.370 -5.877 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 51 12.049 -6.494 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.567 -6.154 0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 51 13.186 -3.821 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.435 -4.761 3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.894 -1.385 -0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.143 -2.325 3.580 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.880 -0.665 1.950 1.00 0.00 H new ATOM 760 N LYS A 52 11.617 -8.610 0.429 1.00 0.00 N ATOM 761 CA LYS A 52 11.735 -10.058 0.416 1.00 0.00 C ATOM 762 C LYS A 52 11.475 -10.574 -1.000 1.00 0.00 C ATOM 763 O LYS A 52 12.189 -11.451 -1.486 1.00 0.00 O ATOM 764 CB LYS A 52 10.821 -10.679 1.474 1.00 0.00 C ATOM 765 CG LYS A 52 11.159 -10.150 2.870 1.00 0.00 C ATOM 766 CD LYS A 52 11.923 -11.196 3.683 1.00 0.00 C ATOM 767 CE LYS A 52 13.428 -10.921 3.655 1.00 0.00 C ATOM 768 NZ LYS A 52 14.040 -11.255 4.961 1.00 0.00 N ATOM 0 H LYS A 52 11.148 -8.227 1.250 1.00 0.00 H new ATOM 0 HA LYS A 52 12.747 -10.360 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.781 -10.454 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.924 -11.764 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.757 -9.243 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.241 -9.878 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.568 -11.191 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.724 -12.190 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.897 -11.509 2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.608 -9.872 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.061 -11.063 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.605 -10.676 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.885 -12.262 5.170 1.00 0.00 H new ATOM 782 N SER A 53 10.452 -10.010 -1.624 1.00 0.00 N ATOM 783 CA SER A 53 10.089 -10.402 -2.975 1.00 0.00 C ATOM 784 C SER A 53 11.296 -10.257 -3.903 1.00 0.00 C ATOM 785 O SER A 53 11.781 -11.243 -4.456 1.00 0.00 O ATOM 786 CB SER A 53 8.916 -9.568 -3.494 1.00 0.00 C ATOM 787 OG SER A 53 7.662 -10.200 -3.250 1.00 0.00 O ATOM 0 H SER A 53 9.862 -9.283 -1.218 1.00 0.00 H new ATOM 0 HA SER A 53 9.776 -11.446 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.928 -8.589 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.036 -9.401 -4.564 1.00 0.00 H new ATOM 0 HG SER A 53 7.783 -10.930 -2.608 1.00 0.00 H new ATOM 793 N GLY A 54 11.747 -9.019 -4.047 1.00 0.00 N ATOM 794 CA GLY A 54 12.888 -8.733 -4.900 1.00 0.00 C ATOM 795 C GLY A 54 12.835 -7.295 -5.421 1.00 0.00 C ATOM 796 O GLY A 54 13.113 -7.046 -6.593 1.00 0.00 O ATOM 0 H GLY A 54 11.343 -8.203 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.812 -8.888 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.902 -9.428 -5.740 1.00 0.00 H new ATOM 800 N ALA A 55 12.477 -6.387 -4.525 1.00 0.00 N ATOM 801 CA ALA A 55 12.385 -4.981 -4.880 1.00 0.00 C ATOM 802 C ALA A 55 13.718 -4.294 -4.577 1.00 0.00 C ATOM 803 O ALA A 55 14.184 -4.311 -3.439 1.00 0.00 O ATOM 804 CB ALA A 55 11.215 -4.341 -4.130 1.00 0.00 C ATOM 0 H ALA A 55 12.247 -6.598 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 55 12.191 -4.866 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.146 -3.286 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.288 -4.846 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.376 -4.434 -3.056 1.00 0.00 H new ATOM 810 N ALA A 56 14.294 -3.707 -5.616 1.00 0.00 N ATOM 811 CA ALA A 56 15.564 -3.015 -5.475 1.00 0.00 C ATOM 812 C ALA A 56 15.320 -1.623 -4.888 1.00 0.00 C ATOM 813 O ALA A 56 14.234 -1.340 -4.386 1.00 0.00 O ATOM 814 CB ALA A 56 16.269 -2.961 -6.832 1.00 0.00 C ATOM 0 H ALA A 56 13.905 -3.696 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 56 16.219 -3.551 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.222 -2.442 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.446 -3.975 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.642 -2.428 -7.547 1.00 0.00 H new ATOM 820 N SER A 57 16.348 -0.792 -4.973 1.00 0.00 N ATOM 821 CA SER A 57 16.259 0.563 -4.457 1.00 0.00 C ATOM 822 C SER A 57 15.553 1.464 -5.472 1.00 0.00 C ATOM 823 O SER A 57 15.200 2.600 -5.159 1.00 0.00 O ATOM 824 CB SER A 57 17.645 1.119 -4.127 1.00 0.00 C ATOM 825 OG SER A 57 18.539 1.016 -5.232 1.00 0.00 O ATOM 0 H SER A 57 17.247 -1.031 -5.392 1.00 0.00 H new ATOM 0 HA SER A 57 15.678 0.540 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.555 2.164 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.058 0.580 -3.275 1.00 0.00 H new ATOM 0 HG SER A 57 19.412 1.383 -4.981 1.00 0.00 H new ATOM 831 N VAL A 58 15.369 0.924 -6.667 1.00 0.00 N ATOM 832 CA VAL A 58 14.712 1.665 -7.731 1.00 0.00 C ATOM 833 C VAL A 58 13.212 1.362 -7.706 1.00 0.00 C ATOM 834 O VAL A 58 12.393 2.246 -7.949 1.00 0.00 O ATOM 835 CB VAL A 58 15.366 1.341 -9.075 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.879 1.171 -8.923 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.735 0.099 -9.707 1.00 0.00 C ATOM 0 H VAL A 58 15.663 -0.018 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 58 14.829 2.738 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 58 15.190 2.183 -9.744 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.319 0.941 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.312 2.094 -8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.086 0.356 -8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.218 -0.109 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.865 -0.754 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.671 0.274 -9.869 1.00 0.00 H new ATOM 847 N ASP A 59 12.899 0.108 -7.411 1.00 0.00 N ATOM 848 CA ASP A 59 11.513 -0.323 -7.353 1.00 0.00 C ATOM 849 C ASP A 59 10.750 0.562 -6.365 1.00 0.00 C ATOM 850 O ASP A 59 9.602 0.928 -6.613 1.00 0.00 O ATOM 851 CB ASP A 59 11.406 -1.770 -6.870 1.00 0.00 C ATOM 852 CG ASP A 59 12.096 -2.803 -7.764 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.261 -2.543 -8.136 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.443 -3.828 -8.055 1.00 0.00 O ATOM 0 H ASP A 59 13.582 -0.623 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 59 11.093 -0.246 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.832 -1.836 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.351 -2.032 -6.785 1.00 0.00 H new ATOM 859 N VAL A 60 11.418 0.881 -5.266 1.00 0.00 N ATOM 860 CA VAL A 60 10.817 1.716 -4.240 1.00 0.00 C ATOM 861 C VAL A 60 10.212 2.961 -4.892 1.00 0.00 C ATOM 862 O VAL A 60 9.042 3.272 -4.676 1.00 0.00 O ATOM 863 CB VAL A 60 11.852 2.048 -3.164 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.280 3.028 -2.137 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.362 0.777 -2.483 1.00 0.00 C ATOM 0 H VAL A 60 12.370 0.576 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 60 10.007 1.184 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 60 12.699 2.530 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.036 3.247 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.988 3.951 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.407 2.584 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.097 1.041 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.527 0.255 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.826 0.128 -3.225 1.00 0.00 H new ATOM 875 N VAL A 61 11.036 3.639 -5.677 1.00 0.00 N ATOM 876 CA VAL A 61 10.597 4.843 -6.361 1.00 0.00 C ATOM 877 C VAL A 61 9.558 4.472 -7.421 1.00 0.00 C ATOM 878 O VAL A 61 8.588 5.200 -7.626 1.00 0.00 O ATOM 879 CB VAL A 61 11.803 5.585 -6.941 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.393 6.954 -7.489 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.915 5.722 -5.900 1.00 0.00 C ATOM 0 H VAL A 61 12.006 3.377 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 61 10.118 5.527 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 61 12.192 4.995 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.269 7.460 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.651 6.823 -8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.967 7.555 -6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.760 6.253 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.542 6.279 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.236 4.731 -5.578 1.00 0.00 H new ATOM 891 N ARG A 62 9.796 3.339 -8.066 1.00 0.00 N ATOM 892 CA ARG A 62 8.893 2.862 -9.099 1.00 0.00 C ATOM 893 C ARG A 62 7.479 2.702 -8.536 1.00 0.00 C ATOM 894 O ARG A 62 6.546 3.358 -8.996 1.00 0.00 O ATOM 895 CB ARG A 62 9.364 1.521 -9.666 1.00 0.00 C ATOM 896 CG ARG A 62 9.076 1.429 -11.166 1.00 0.00 C ATOM 897 CD ARG A 62 9.763 0.208 -11.782 1.00 0.00 C ATOM 898 NE ARG A 62 8.838 -0.478 -12.712 1.00 0.00 N ATOM 899 CZ ARG A 62 9.192 -1.493 -13.511 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.453 -1.946 -13.500 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.286 -2.054 -14.323 1.00 0.00 N ATOM 0 H ARG A 62 10.601 2.738 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 62 8.887 3.600 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.433 1.403 -9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.863 0.705 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.000 1.367 -11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.423 2.335 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.663 0.517 -12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.076 -0.479 -10.996 1.00 0.00 H new ATOM 0 HE ARG A 62 7.870 -0.158 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.143 -1.518 -12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.723 -2.719 -14.108 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.326 -1.708 -14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.556 -2.827 -14.931 1.00 0.00 H new ATOM 915 N LEU A 63 7.366 1.826 -7.549 1.00 0.00 N ATOM 916 CA LEU A 63 6.082 1.571 -6.918 1.00 0.00 C ATOM 917 C LEU A 63 5.464 2.899 -6.475 1.00 0.00 C ATOM 918 O LEU A 63 4.283 3.148 -6.713 1.00 0.00 O ATOM 919 CB LEU A 63 6.234 0.555 -5.785 1.00 0.00 C ATOM 920 CG LEU A 63 5.195 0.639 -4.665 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.806 0.247 -5.174 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.620 -0.200 -3.458 1.00 0.00 C ATOM 0 H LEU A 63 8.142 1.284 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 63 5.391 1.119 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.196 -0.446 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.224 0.676 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 63 5.136 1.675 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.087 0.315 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.509 0.922 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.832 -0.776 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.864 -0.123 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.726 -1.242 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.574 0.166 -3.078 1.00 0.00 H new ATOM 934 N VAL A 64 6.290 3.716 -5.838 1.00 0.00 N ATOM 935 CA VAL A 64 5.840 5.012 -5.359 1.00 0.00 C ATOM 936 C VAL A 64 5.397 5.865 -6.550 1.00 0.00 C ATOM 937 O VAL A 64 4.447 6.638 -6.445 1.00 0.00 O ATOM 938 CB VAL A 64 6.939 5.673 -4.526 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.506 7.061 -4.050 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.338 4.788 -3.343 1.00 0.00 C ATOM 0 H VAL A 64 7.269 3.505 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 64 4.978 4.898 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 64 7.815 5.795 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.305 7.509 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.295 7.692 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.609 6.972 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.121 5.281 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.470 4.620 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.708 3.831 -3.713 1.00 0.00 H new ATOM 950 N GLU A 65 6.108 5.695 -7.655 1.00 0.00 N ATOM 951 CA GLU A 65 5.801 6.440 -8.864 1.00 0.00 C ATOM 952 C GLU A 65 4.540 5.881 -9.526 1.00 0.00 C ATOM 953 O GLU A 65 3.650 6.637 -9.913 1.00 0.00 O ATOM 954 CB GLU A 65 6.983 6.422 -9.835 1.00 0.00 C ATOM 955 CG GLU A 65 8.026 7.472 -9.448 1.00 0.00 C ATOM 956 CD GLU A 65 7.952 8.686 -10.377 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.085 9.548 -10.116 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.763 8.725 -11.327 1.00 0.00 O ATOM 0 H GLU A 65 6.896 5.052 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 65 5.615 7.478 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.441 5.433 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.629 6.612 -10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.864 7.788 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.023 7.034 -9.495 1.00 0.00 H new ATOM 965 N GLU A 66 4.503 4.561 -9.635 1.00 0.00 N ATOM 966 CA GLU A 66 3.365 3.892 -10.243 1.00 0.00 C ATOM 967 C GLU A 66 2.068 4.315 -9.550 1.00 0.00 C ATOM 968 O GLU A 66 1.161 4.842 -10.192 1.00 0.00 O ATOM 969 CB GLU A 66 3.537 2.372 -10.203 1.00 0.00 C ATOM 970 CG GLU A 66 4.837 1.950 -10.892 1.00 0.00 C ATOM 971 CD GLU A 66 4.561 0.944 -12.012 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.689 1.254 -12.852 1.00 0.00 O ATOM 973 OE2 GLU A 66 5.230 -0.112 -12.003 1.00 0.00 O ATOM 0 H GLU A 66 5.243 3.937 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 66 3.309 4.191 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.542 2.030 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.689 1.893 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.338 2.827 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.514 1.509 -10.161 1.00 0.00 H new ATOM 980 N VAL A 67 2.022 4.068 -8.249 1.00 0.00 N ATOM 981 CA VAL A 67 0.851 4.416 -7.462 1.00 0.00 C ATOM 982 C VAL A 67 0.513 5.892 -7.685 1.00 0.00 C ATOM 983 O VAL A 67 -0.659 6.266 -7.712 1.00 0.00 O ATOM 984 CB VAL A 67 1.089 4.074 -5.990 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.101 4.501 -5.128 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.385 2.583 -5.815 1.00 0.00 C ATOM 0 H VAL A 67 2.777 3.631 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.012 3.832 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 67 1.963 4.632 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.094 4.246 -4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.247 5.577 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.999 3.984 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.550 2.366 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.539 1.999 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.277 2.320 -6.384 1.00 0.00 H new ATOM 996 N LYS A 68 1.559 6.689 -7.840 1.00 0.00 N ATOM 997 CA LYS A 68 1.388 8.115 -8.060 1.00 0.00 C ATOM 998 C LYS A 68 0.379 8.335 -9.189 1.00 0.00 C ATOM 999 O LYS A 68 -0.395 9.291 -9.157 1.00 0.00 O ATOM 1000 CB LYS A 68 2.741 8.786 -8.305 1.00 0.00 C ATOM 1001 CG LYS A 68 3.000 9.890 -7.278 1.00 0.00 C ATOM 1002 CD LYS A 68 4.310 9.645 -6.528 1.00 0.00 C ATOM 1003 CE LYS A 68 4.048 9.326 -5.055 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.078 9.953 -4.197 1.00 0.00 N ATOM 0 H LYS A 68 2.529 6.374 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 68 0.979 8.591 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.535 8.041 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.766 9.207 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.040 10.857 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.173 9.933 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.850 8.819 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.947 10.526 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.060 9.686 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.049 8.246 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.988 9.592 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.023 9.723 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.948 10.985 -4.196 1.00 0.00 H new ATOM 1018 N GLU A 69 0.419 7.434 -10.159 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.482 7.517 -11.296 1.00 0.00 C ATOM 1020 C GLU A 69 -1.875 7.016 -10.907 1.00 0.00 C ATOM 1021 O GLU A 69 -2.880 7.499 -11.427 1.00 0.00 O ATOM 1022 CB GLU A 69 0.068 6.735 -12.490 1.00 0.00 C ATOM 1023 CG GLU A 69 1.511 7.141 -12.794 1.00 0.00 C ATOM 1024 CD GLU A 69 1.588 7.979 -14.071 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.715 7.360 -15.150 1.00 0.00 O ATOM 1026 OE2 GLU A 69 1.517 9.220 -13.941 1.00 0.00 O ATOM 0 H GLU A 69 1.062 6.642 -10.181 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.563 8.562 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.024 5.666 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.556 6.915 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.916 7.709 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.128 6.249 -12.902 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.890 6.055 -9.995 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.142 5.484 -9.530 1.00 0.00 C ATOM 1035 C LEU A 70 -4.038 6.601 -8.991 1.00 0.00 C ATOM 1036 O LEU A 70 -5.230 6.646 -9.293 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.879 4.365 -8.520 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.493 3.007 -9.109 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.317 1.961 -8.006 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.505 2.560 -10.167 1.00 0.00 C ATOM 0 H LEU A 70 -1.055 5.657 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.677 5.016 -10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.082 4.688 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.774 4.234 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.530 3.113 -9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.043 1.005 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.531 2.282 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.252 1.850 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.207 1.592 -10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.493 2.476 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.537 3.294 -10.973 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.430 7.475 -8.202 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.158 8.589 -7.618 1.00 0.00 C ATOM 1054 C CYS A 71 -3.862 9.842 -8.444 1.00 0.00 C ATOM 1055 O CYS A 71 -4.543 10.857 -8.305 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.807 8.782 -6.142 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.196 9.594 -5.270 1.00 0.00 S ATOM 0 H CYS A 71 -2.442 7.434 -7.954 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.228 8.382 -7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.592 7.818 -5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.905 9.387 -6.050 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.683 10.541 -6.016 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.845 9.730 -9.286 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.450 10.842 -10.134 1.00 0.00 C ATOM 1065 C ASP A 72 -2.022 12.020 -9.257 1.00 0.00 C ATOM 1066 O ASP A 72 -2.623 13.092 -9.315 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.613 11.305 -11.013 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.341 12.566 -11.835 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.737 12.418 -12.919 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.742 13.651 -11.360 1.00 0.00 O ATOM 0 H ASP A 72 -2.283 8.886 -9.399 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.630 10.507 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.878 10.496 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.480 11.484 -10.377 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.987 11.782 -8.464 1.00 0.00 N ATOM 1076 CA GLY A 73 -0.472 12.810 -7.576 1.00 0.00 C ATOM 1077 C GLY A 73 -0.590 12.380 -6.113 1.00 0.00 C ATOM 1078 O GLY A 73 -0.806 13.212 -5.233 1.00 0.00 O ATOM 0 H GLY A 73 -0.491 10.892 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.572 13.013 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.022 13.738 -7.731 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.443 11.081 -5.897 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.530 10.530 -4.556 1.00 0.00 C ATOM 1084 C LEU A 74 0.587 11.121 -3.693 1.00 0.00 C ATOM 1085 O LEU A 74 1.651 11.470 -4.202 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.526 9.001 -4.603 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.489 8.288 -3.250 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.705 8.662 -2.400 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.361 6.774 -3.431 1.00 0.00 C ATOM 0 H LEU A 74 -0.264 10.394 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.475 10.809 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.415 8.672 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.337 8.678 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 74 0.397 8.624 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.654 8.142 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.711 9.738 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.617 8.373 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.337 6.291 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.214 6.402 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.559 6.548 -3.970 1.00 0.00 H new ATOM 1101 N GLU A 75 0.307 11.214 -2.401 1.00 0.00 N ATOM 1102 CA GLU A 75 1.275 11.756 -1.463 1.00 0.00 C ATOM 1103 C GLU A 75 2.059 10.625 -0.796 1.00 0.00 C ATOM 1104 O GLU A 75 1.897 10.371 0.397 1.00 0.00 O ATOM 1105 CB GLU A 75 0.590 12.639 -0.418 1.00 0.00 C ATOM 1106 CG GLU A 75 0.171 13.981 -1.023 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.707 14.771 -0.050 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -0.137 15.299 0.928 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.929 14.828 -0.308 1.00 0.00 O ATOM 0 H GLU A 75 -0.576 10.923 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 75 1.977 12.381 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.286 12.126 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.267 12.809 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.058 14.564 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.372 13.811 -1.953 1.00 0.00 H new ATOM 1116 N LEU A 76 2.893 9.975 -1.594 1.00 0.00 N ATOM 1117 CA LEU A 76 3.703 8.876 -1.096 1.00 0.00 C ATOM 1118 C LEU A 76 5.173 9.298 -1.081 1.00 0.00 C ATOM 1119 O LEU A 76 5.558 10.243 -1.768 1.00 0.00 O ATOM 1120 CB LEU A 76 3.436 7.604 -1.904 1.00 0.00 C ATOM 1121 CG LEU A 76 3.923 6.296 -1.276 1.00 0.00 C ATOM 1122 CD1 LEU A 76 3.073 5.923 -0.060 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.964 5.173 -2.313 1.00 0.00 C ATOM 0 H LEU A 76 3.026 10.188 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 76 3.429 8.636 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.362 7.524 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.907 7.712 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 76 4.943 6.445 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.440 4.990 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.138 6.715 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.034 5.798 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.313 4.255 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.964 5.015 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.643 5.447 -3.120 1.00 0.00 H new ATOM 1135 N GLU A 77 5.955 8.576 -0.292 1.00 0.00 N ATOM 1136 CA GLU A 77 7.375 8.864 -0.179 1.00 0.00 C ATOM 1137 C GLU A 77 8.167 7.566 -0.009 1.00 0.00 C ATOM 1138 O GLU A 77 7.682 6.613 0.599 1.00 0.00 O ATOM 1139 CB GLU A 77 7.649 9.828 0.977 1.00 0.00 C ATOM 1140 CG GLU A 77 6.553 9.734 2.041 1.00 0.00 C ATOM 1141 CD GLU A 77 6.706 10.842 3.085 1.00 0.00 C ATOM 1142 OE1 GLU A 77 7.524 11.753 2.830 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.002 10.753 4.114 1.00 0.00 O ATOM 0 H GLU A 77 5.632 7.792 0.275 1.00 0.00 H new ATOM 0 HA GLU A 77 7.702 9.349 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.616 9.599 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.707 10.848 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.574 9.808 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.598 8.761 2.529 1.00 0.00 H new ATOM 1150 N ASN A 78 9.374 7.571 -0.558 1.00 0.00 N ATOM 1151 CA ASN A 78 10.238 6.406 -0.475 1.00 0.00 C ATOM 1152 C ASN A 78 10.257 5.892 0.966 1.00 0.00 C ATOM 1153 O ASN A 78 10.361 4.688 1.198 1.00 0.00 O ATOM 1154 CB ASN A 78 11.674 6.756 -0.871 1.00 0.00 C ATOM 1155 CG ASN A 78 11.725 7.344 -2.283 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.348 6.716 -3.259 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.212 8.580 -2.337 1.00 0.00 N ATOM 0 H ASN A 78 9.773 8.363 -1.062 1.00 0.00 H new ATOM 0 HA ASN A 78 9.850 5.649 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.087 7.471 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.297 5.863 -0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.288 9.060 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.510 9.049 -1.481 1.00 0.00 H new ATOM 1164 N GLU A 79 10.156 6.830 1.896 1.00 0.00 N ATOM 1165 CA GLU A 79 10.161 6.487 3.308 1.00 0.00 C ATOM 1166 C GLU A 79 8.962 5.597 3.642 1.00 0.00 C ATOM 1167 O GLU A 79 9.079 4.662 4.433 1.00 0.00 O ATOM 1168 CB GLU A 79 10.168 7.745 4.178 1.00 0.00 C ATOM 1169 CG GLU A 79 8.898 8.570 3.961 1.00 0.00 C ATOM 1170 CD GLU A 79 9.184 10.066 4.103 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.061 10.550 3.354 1.00 0.00 O ATOM 1172 OE2 GLU A 79 8.521 10.693 4.957 1.00 0.00 O ATOM 0 H GLU A 79 10.070 7.827 1.699 1.00 0.00 H new ATOM 0 HA GLU A 79 11.073 5.931 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.248 7.464 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.043 8.350 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.493 8.366 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.138 8.271 4.683 1.00 0.00 H new ATOM 1179 N ASP A 80 7.836 5.919 3.023 1.00 0.00 N ATOM 1180 CA ASP A 80 6.616 5.160 3.245 1.00 0.00 C ATOM 1181 C ASP A 80 6.874 3.686 2.928 1.00 0.00 C ATOM 1182 O ASP A 80 6.458 2.804 3.678 1.00 0.00 O ATOM 1183 CB ASP A 80 5.489 5.650 2.333 1.00 0.00 C ATOM 1184 CG ASP A 80 4.930 7.031 2.682 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.764 7.287 3.894 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.681 7.799 1.728 1.00 0.00 O ATOM 0 H ASP A 80 7.742 6.695 2.368 1.00 0.00 H new ATOM 0 HA ASP A 80 6.321 5.292 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.856 5.672 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.675 4.926 2.365 1.00 0.00 H new ATOM 1191 N VAL A 81 7.557 3.463 1.815 1.00 0.00 N ATOM 1192 CA VAL A 81 7.875 2.111 1.389 1.00 0.00 C ATOM 1193 C VAL A 81 8.765 1.446 2.441 1.00 0.00 C ATOM 1194 O VAL A 81 8.567 0.280 2.779 1.00 0.00 O ATOM 1195 CB VAL A 81 8.510 2.136 -0.003 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.889 0.725 -0.458 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.583 2.808 -1.017 1.00 0.00 C ATOM 0 H VAL A 81 7.899 4.197 1.195 1.00 0.00 H new ATOM 0 HA VAL A 81 6.967 1.513 1.306 1.00 0.00 H new ATOM 0 HB VAL A 81 9.425 2.726 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.338 0.771 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.604 0.296 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.996 0.102 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.059 2.812 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.644 2.258 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.385 3.834 -0.705 1.00 0.00 H new ATOM 1207 N TYR A 82 9.727 2.215 2.928 1.00 0.00 N ATOM 1208 CA TYR A 82 10.648 1.715 3.935 1.00 0.00 C ATOM 1209 C TYR A 82 9.915 1.400 5.240 1.00 0.00 C ATOM 1210 O TYR A 82 10.456 0.721 6.112 1.00 0.00 O ATOM 1211 CB TYR A 82 11.651 2.843 4.186 1.00 0.00 C ATOM 1212 CG TYR A 82 12.467 3.236 2.953 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.623 2.340 1.914 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.047 4.486 2.879 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.391 2.710 0.754 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.816 4.855 1.719 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.949 3.949 0.713 1.00 0.00 C ATOM 1218 OH TYR A 82 14.675 4.299 -0.383 1.00 0.00 O ATOM 0 H TYR A 82 9.889 3.181 2.644 1.00 0.00 H new ATOM 0 HA TYR A 82 11.128 0.797 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.113 3.720 4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.334 2.538 4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.169 1.362 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.924 5.187 3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.521 2.019 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.277 5.829 1.649 1.00 0.00 H new ATOM 0 HH TYR A 82 15.012 5.213 -0.274 1.00 0.00 H new ATOM 1228 N MET A 83 8.695 1.909 5.335 1.00 0.00 N ATOM 1229 CA MET A 83 7.883 1.690 6.520 1.00 0.00 C ATOM 1230 C MET A 83 6.960 0.484 6.337 1.00 0.00 C ATOM 1231 O MET A 83 6.841 -0.352 7.231 1.00 0.00 O ATOM 1232 CB MET A 83 7.043 2.938 6.800 1.00 0.00 C ATOM 1233 CG MET A 83 7.267 3.441 8.227 1.00 0.00 C ATOM 1234 SD MET A 83 7.087 2.093 9.384 1.00 0.00 S ATOM 1235 CE MET A 83 8.720 2.083 10.105 1.00 0.00 C ATOM 0 H MET A 83 8.249 2.472 4.611 1.00 0.00 H new ATOM 0 HA MET A 83 8.547 1.491 7.361 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.303 3.722 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.987 2.711 6.652 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.262 3.877 8.316 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.551 4.229 8.460 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.913 1.110 10.556 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.461 2.277 9.330 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.785 2.857 10.870 1.00 0.00 H new ATOM 1245 N ALA A 84 6.331 0.431 5.172 1.00 0.00 N ATOM 1246 CA ALA A 84 5.423 -0.659 4.860 1.00 0.00 C ATOM 1247 C ALA A 84 5.997 -1.481 3.704 1.00 0.00 C ATOM 1248 O ALA A 84 5.628 -1.276 2.549 1.00 0.00 O ATOM 1249 CB ALA A 84 4.037 -0.095 4.542 1.00 0.00 C ATOM 0 H ALA A 84 6.433 1.126 4.432 1.00 0.00 H new ATOM 0 HA ALA A 84 5.315 -1.325 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.356 -0.913 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.661 0.454 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.105 0.576 3.686 1.00 0.00 H new ATOM 1255 N SER A 85 6.891 -2.394 4.056 1.00 0.00 N ATOM 1256 CA SER A 85 7.519 -3.247 3.062 1.00 0.00 C ATOM 1257 C SER A 85 6.521 -4.294 2.564 1.00 0.00 C ATOM 1258 O SER A 85 6.577 -4.711 1.408 1.00 0.00 O ATOM 1259 CB SER A 85 8.765 -3.930 3.630 1.00 0.00 C ATOM 1260 OG SER A 85 8.434 -4.939 4.580 1.00 0.00 O ATOM 0 H SER A 85 7.195 -2.561 5.015 1.00 0.00 H new ATOM 0 HA SER A 85 7.830 -2.623 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.339 -4.373 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.404 -3.184 4.102 1.00 0.00 H new ATOM 0 HG SER A 85 9.173 -5.579 4.648 1.00 0.00 H new ATOM 1266 N THR A 86 5.629 -4.689 3.462 1.00 0.00 N ATOM 1267 CA THR A 86 4.620 -5.679 3.128 1.00 0.00 C ATOM 1268 C THR A 86 3.411 -5.009 2.472 1.00 0.00 C ATOM 1269 O THR A 86 2.887 -4.023 2.988 1.00 0.00 O ATOM 1270 CB THR A 86 4.270 -6.446 4.405 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.239 -5.442 5.416 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.392 -7.387 4.849 1.00 0.00 C ATOM 0 H THR A 86 5.585 -4.341 4.420 1.00 0.00 H new ATOM 0 HA THR A 86 4.994 -6.393 2.394 1.00 0.00 H new ATOM 0 HB THR A 86 3.357 -7.020 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.017 -5.852 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.092 -7.906 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.588 -8.116 4.063 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.296 -6.810 5.042 1.00 0.00 H new ATOM 1280 N PHE A 87 3.004 -5.570 1.343 1.00 0.00 N ATOM 1281 CA PHE A 87 1.867 -5.039 0.610 1.00 0.00 C ATOM 1282 C PHE A 87 0.694 -4.753 1.550 1.00 0.00 C ATOM 1283 O PHE A 87 0.181 -3.636 1.587 1.00 0.00 O ATOM 1284 CB PHE A 87 1.447 -6.109 -0.400 1.00 0.00 C ATOM 1285 CG PHE A 87 0.249 -5.711 -1.264 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.431 -4.927 -2.360 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -0.999 -6.143 -0.937 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.681 -4.558 -3.163 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.111 -5.774 -1.740 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.928 -4.989 -2.836 1.00 0.00 C ATOM 0 H PHE A 87 3.441 -6.387 0.918 1.00 0.00 H new ATOM 0 HA PHE A 87 2.142 -4.104 0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.293 -6.333 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.206 -7.027 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.422 -4.585 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.144 -6.766 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.536 -3.935 -4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.102 -6.117 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.774 -4.708 -3.446 1.00 0.00 H new ATOM 1300 N GLY A 88 0.304 -5.783 2.288 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.799 -5.656 3.225 1.00 0.00 C ATOM 1302 C GLY A 88 -0.717 -4.335 3.993 1.00 0.00 C ATOM 1303 O GLY A 88 -1.620 -3.504 3.905 1.00 0.00 O ATOM 0 H GLY A 88 0.732 -6.708 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.746 -5.710 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.783 -6.490 3.926 1.00 0.00 H new ATOM 1307 N ASP A 89 0.374 -4.182 4.730 1.00 0.00 N ATOM 1308 CA ASP A 89 0.586 -2.977 5.512 1.00 0.00 C ATOM 1309 C ASP A 89 0.508 -1.756 4.593 1.00 0.00 C ATOM 1310 O ASP A 89 -0.305 -0.860 4.812 1.00 0.00 O ATOM 1311 CB ASP A 89 1.966 -2.984 6.173 1.00 0.00 C ATOM 1312 CG ASP A 89 2.025 -2.328 7.554 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.593 -2.996 8.518 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.501 -1.174 7.614 1.00 0.00 O ATOM 0 H ASP A 89 1.120 -4.873 4.802 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.183 -2.937 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.304 -4.016 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.670 -2.475 5.515 1.00 0.00 H new ATOM 1319 N PHE A 90 1.365 -1.761 3.582 1.00 0.00 N ATOM 1320 CA PHE A 90 1.403 -0.666 2.628 1.00 0.00 C ATOM 1321 C PHE A 90 -0.010 -0.210 2.260 1.00 0.00 C ATOM 1322 O PHE A 90 -0.352 0.960 2.427 1.00 0.00 O ATOM 1323 CB PHE A 90 2.101 -1.191 1.372 1.00 0.00 C ATOM 1324 CG PHE A 90 2.298 -0.136 0.282 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.357 0.715 0.343 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.414 -0.048 -0.748 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.540 1.695 -0.668 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.597 0.931 -1.759 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.656 1.782 -1.698 1.00 0.00 C ATOM 0 H PHE A 90 2.038 -2.506 3.403 1.00 0.00 H new ATOM 0 HA PHE A 90 1.929 0.185 3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.074 -1.595 1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.518 -2.016 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.059 0.645 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.573 -0.723 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.381 2.371 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.895 1.000 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.795 2.527 -2.467 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.793 -1.157 1.764 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.161 -0.868 1.371 1.00 0.00 C ATOM 1341 C ILE A 91 -2.812 0.029 2.426 1.00 0.00 C ATOM 1342 O ILE A 91 -3.280 1.123 2.113 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.929 -2.164 1.108 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.448 -2.835 -0.180 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.439 -1.915 1.095 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.744 -1.959 -1.399 1.00 0.00 C ATOM 0 H ILE A 91 -0.505 -2.126 1.625 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.178 -0.318 0.430 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.724 -2.854 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.377 -3.026 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.938 -3.802 -0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.961 -2.853 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.750 -1.515 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.683 -1.199 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.392 -2.460 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.818 -1.790 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.233 -1.002 -1.292 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.820 -0.467 3.654 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.405 0.276 4.757 1.00 0.00 C ATOM 1360 C GLN A 92 -2.917 1.726 4.739 1.00 0.00 C ATOM 1361 O GLN A 92 -3.716 2.656 4.841 1.00 0.00 O ATOM 1362 CB GLN A 92 -3.090 -0.392 6.097 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.275 -1.908 6.011 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.456 -2.265 5.105 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.640 -1.912 5.596 1.00 0.00 O flip ATOM 1366 NE2 GLN A 92 -4.302 -2.825 4.032 1.00 0.00 N flip ATOM 0 H GLN A 92 -2.431 -1.374 3.910 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.488 0.276 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.065 -0.163 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.741 0.014 6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.365 -2.368 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.441 -2.315 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.364 -3.069 3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -5.111 -3.050 3.453 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.607 1.874 4.609 1.00 0.00 N ATOM 1376 CA LEU A 93 -1.002 3.195 4.576 1.00 0.00 C ATOM 1377 C LEU A 93 -1.483 3.941 3.330 1.00 0.00 C ATOM 1378 O LEU A 93 -1.882 5.101 3.412 1.00 0.00 O ATOM 1379 CB LEU A 93 0.521 3.090 4.681 1.00 0.00 C ATOM 1380 CG LEU A 93 1.320 4.118 3.878 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.512 4.637 4.685 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.749 3.545 2.526 1.00 0.00 C ATOM 0 H LEU A 93 -0.947 1.101 4.525 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.318 3.780 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.800 3.181 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.820 2.093 4.357 1.00 0.00 H new ATOM 0 HG LEU A 93 0.672 4.971 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.063 5.366 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.154 5.110 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.169 3.805 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.315 4.296 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.372 2.665 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.865 3.265 1.953 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.429 3.243 2.205 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.854 3.824 0.943 1.00 0.00 C ATOM 1396 C LEU A 94 -3.309 4.284 1.062 1.00 0.00 C ATOM 1397 O LEU A 94 -3.613 5.456 0.847 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.612 2.845 -0.207 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.505 3.019 -1.437 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -1.913 4.047 -2.403 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.767 1.675 -2.119 1.00 0.00 C ATOM 0 H LEU A 94 -1.097 2.281 2.141 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.258 4.706 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.572 2.936 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.743 1.831 0.172 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.469 3.405 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.567 4.152 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.821 5.009 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.928 3.714 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.404 1.827 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.820 1.236 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.264 1.003 -1.419 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.169 3.337 1.406 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.584 3.630 1.556 1.00 0.00 C ATOM 1415 C VAL A 95 -5.750 4.927 2.352 1.00 0.00 C ATOM 1416 O VAL A 95 -6.597 5.756 2.024 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.300 2.440 2.197 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.750 2.790 2.538 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.232 1.207 1.294 1.00 0.00 C ATOM 0 H VAL A 95 -3.913 2.366 1.585 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.047 3.784 0.582 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.785 2.202 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.236 1.926 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.768 3.626 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.281 3.068 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.749 0.376 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.709 1.428 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.190 0.937 1.125 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.928 5.061 3.382 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.973 6.242 4.227 1.00 0.00 C ATOM 1431 C ARG A 96 -4.692 7.497 3.398 1.00 0.00 C ATOM 1432 O ARG A 96 -5.445 8.468 3.461 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.949 6.148 5.360 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.643 6.108 6.723 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.636 6.307 7.857 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.339 6.715 9.094 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.886 5.856 9.965 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -4.815 4.537 9.740 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.506 6.316 11.060 1.00 0.00 N ATOM 0 H ARG A 96 -4.227 4.371 3.651 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.972 6.303 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.340 5.253 5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.274 7.002 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.406 6.885 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.152 5.152 6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.084 5.383 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.906 7.066 7.577 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.412 7.712 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.344 4.187 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.231 3.883 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.562 7.320 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.922 5.662 11.723 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.606 7.438 2.642 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.217 8.558 1.802 1.00 0.00 C ATOM 1455 C LYS A 97 -4.303 8.807 0.754 1.00 0.00 C ATOM 1456 O LYS A 97 -4.711 9.946 0.535 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.828 8.323 1.205 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.764 8.247 2.302 1.00 0.00 C ATOM 1459 CD LYS A 97 0.196 7.082 2.055 1.00 0.00 C ATOM 1460 CE LYS A 97 1.506 7.280 2.819 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.235 7.598 4.239 1.00 0.00 N ATOM 0 H LYS A 97 -2.983 6.632 2.593 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.134 9.468 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.828 7.398 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.585 9.129 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.205 9.182 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.245 8.127 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.272 6.148 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.402 6.996 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.113 6.377 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.081 8.086 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.107 7.480 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.905 8.581 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.503 6.957 4.605 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.742 7.721 0.134 1.00 0.00 N ATOM 1476 CA LEU A 98 -5.773 7.807 -0.885 1.00 0.00 C ATOM 1477 C LEU A 98 -7.019 8.467 -0.291 1.00 0.00 C ATOM 1478 O LEU A 98 -7.503 9.470 -0.813 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.040 6.429 -1.495 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.089 5.995 -2.613 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.434 4.590 -3.111 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -5.077 7.019 -3.750 1.00 0.00 C ATOM 0 H LEU A 98 -4.402 6.777 0.318 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.440 8.437 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.996 5.686 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.058 6.417 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.079 5.953 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.743 4.306 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.351 3.881 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.454 4.581 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.394 6.687 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.081 7.116 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.748 7.985 -3.366 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.501 7.878 0.793 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.681 8.396 1.464 1.00 0.00 C ATOM 1496 C ARG A 99 -8.545 9.904 1.687 1.00 0.00 C ATOM 1497 O ARG A 99 -9.449 10.668 1.352 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.896 7.706 2.813 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.516 6.319 2.626 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.776 5.649 3.977 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.039 4.206 3.783 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.391 3.367 4.767 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -10.523 3.823 6.020 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.610 2.073 4.499 1.00 0.00 N ATOM 0 H ARG A 99 -7.096 7.047 1.224 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.541 8.195 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.944 7.615 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.546 8.318 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.451 6.406 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.850 5.696 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.915 5.786 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.628 6.120 4.468 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.947 3.826 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.356 4.808 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.791 3.185 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.509 1.725 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.878 1.435 5.249 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.409 10.287 2.251 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.143 11.689 2.523 1.00 0.00 C ATOM 1520 C GLY A 100 -6.750 11.899 3.986 1.00 0.00 C ATOM 1521 O GLY A 100 -7.537 11.623 4.890 1.00 0.00 O ATOM 0 H GLY A 100 -6.662 9.650 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.343 12.044 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.028 12.282 2.292 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.533 12.387 4.174 1.00 0.00 N ATOM 1526 CA ASP A 101 -5.025 12.637 5.513 1.00 0.00 C ATOM 1527 C ASP A 101 -3.662 13.326 5.416 1.00 0.00 C ATOM 1528 O ASP A 101 -3.053 13.357 4.348 1.00 0.00 O ATOM 1529 CB ASP A 101 -4.841 11.330 6.285 1.00 0.00 C ATOM 1530 CG ASP A 101 -4.808 11.478 7.808 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -5.675 12.214 8.325 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -3.916 10.851 8.420 1.00 0.00 O ATOM 0 H ASP A 101 -4.883 12.616 3.422 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.746 13.265 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.651 10.651 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.912 10.861 5.960 1.00 0.00 H new ATOM 1537 N ASP A 102 -3.224 13.862 6.546 1.00 0.00 N ATOM 1538 CA ASP A 102 -1.945 14.548 6.602 1.00 0.00 C ATOM 1539 C ASP A 102 -1.977 15.755 5.662 1.00 0.00 C ATOM 1540 O ASP A 102 -2.589 15.700 4.597 1.00 0.00 O ATOM 1541 CB ASP A 102 -0.807 13.629 6.154 1.00 0.00 C ATOM 1542 CG ASP A 102 0.599 14.124 6.500 1.00 0.00 C ATOM 1543 OD1 ASP A 102 1.027 13.861 7.644 1.00 0.00 O ATOM 1544 OD2 ASP A 102 1.213 14.755 5.613 1.00 0.00 O ATOM 0 H ASP A 102 -3.733 13.835 7.430 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.773 14.858 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.952 12.648 6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.873 13.494 5.074 1.00 0.00 H new ATOM 1549 N GLU A 103 -1.309 16.816 6.091 1.00 0.00 N ATOM 1550 CA GLU A 103 -1.253 18.034 5.301 1.00 0.00 C ATOM 1551 C GLU A 103 -0.941 17.705 3.840 1.00 0.00 C ATOM 1552 O GLU A 103 -0.512 16.596 3.527 1.00 0.00 O ATOM 1553 CB GLU A 103 -0.226 19.013 5.874 1.00 0.00 C ATOM 1554 CG GLU A 103 -0.844 20.397 6.082 1.00 0.00 C ATOM 1555 CD GLU A 103 -0.877 20.765 7.566 1.00 0.00 C ATOM 1556 OE1 GLU A 103 0.145 20.508 8.238 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -1.924 21.296 7.996 1.00 0.00 O ATOM 0 H GLU A 103 -0.802 16.857 6.975 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.229 18.517 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.153 18.634 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.626 19.089 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.270 21.142 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.856 20.412 5.677 1.00 0.00 H new ATOM 1564 N GLU A 104 -1.170 18.690 2.983 1.00 0.00 N ATOM 1565 CA GLU A 104 -0.918 18.519 1.562 1.00 0.00 C ATOM 1566 C GLU A 104 0.453 19.089 1.193 1.00 0.00 C ATOM 1567 O GLU A 104 0.826 20.166 1.655 1.00 0.00 O ATOM 1568 CB GLU A 104 -2.024 19.168 0.728 1.00 0.00 C ATOM 1569 CG GLU A 104 -3.188 18.199 0.510 1.00 0.00 C ATOM 1570 CD GLU A 104 -4.508 18.812 0.983 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -4.484 19.453 2.056 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -5.511 18.626 0.260 1.00 0.00 O ATOM 0 H GLU A 104 -1.527 19.609 3.245 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.918 17.452 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.383 20.066 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.622 19.481 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.260 17.943 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.000 17.271 1.050 1.00 0.00 H new ATOM 1579 N SER A 105 1.166 18.340 0.365 1.00 0.00 N ATOM 1580 CA SER A 105 2.488 18.757 -0.072 1.00 0.00 C ATOM 1581 C SER A 105 2.598 18.639 -1.593 1.00 0.00 C ATOM 1582 O SER A 105 2.154 17.651 -2.177 1.00 0.00 O ATOM 1583 CB SER A 105 3.579 17.925 0.606 1.00 0.00 C ATOM 1584 OG SER A 105 3.742 18.274 1.978 1.00 0.00 O ATOM 0 H SER A 105 0.853 17.447 -0.015 1.00 0.00 H new ATOM 0 HA SER A 105 2.631 19.799 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.329 16.867 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.523 18.069 0.081 1.00 0.00 H new ATOM 0 HG SER A 105 4.446 17.720 2.375 1.00 0.00 H new ATOM 1590 N GLY A 106 3.192 19.660 -2.192 1.00 0.00 N ATOM 1591 CA GLY A 106 3.367 19.684 -3.634 1.00 0.00 C ATOM 1592 C GLY A 106 4.220 18.503 -4.103 1.00 0.00 C ATOM 1593 O GLY A 106 5.368 18.359 -3.686 1.00 0.00 O ATOM 0 H GLY A 106 3.559 20.478 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.393 19.651 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.841 20.620 -3.931 1.00 0.00 H new ATOM 1597 N PRO A 107 3.610 17.667 -4.985 1.00 0.00 N ATOM 1598 CA PRO A 107 4.301 16.504 -5.514 1.00 0.00 C ATOM 1599 C PRO A 107 5.336 16.912 -6.564 1.00 0.00 C ATOM 1600 O PRO A 107 5.486 18.095 -6.867 1.00 0.00 O ATOM 1601 CB PRO A 107 3.203 15.616 -6.077 1.00 0.00 C ATOM 1602 CG PRO A 107 1.992 16.517 -6.261 1.00 0.00 C ATOM 1603 CD PRO A 107 2.251 17.807 -5.500 1.00 0.00 C ATOM 0 HA PRO A 107 4.874 15.973 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 107 3.507 15.172 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 107 2.979 14.794 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 107 1.827 16.724 -7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 107 1.092 16.028 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 107 2.162 18.676 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.533 17.941 -4.691 1.00 0.00 H new ATOM 1611 N SER A 108 6.025 15.910 -7.091 1.00 0.00 N ATOM 1612 CA SER A 108 7.042 16.149 -8.100 1.00 0.00 C ATOM 1613 C SER A 108 6.567 15.624 -9.457 1.00 0.00 C ATOM 1614 O SER A 108 6.359 14.424 -9.623 1.00 0.00 O ATOM 1615 CB SER A 108 8.368 15.493 -7.712 1.00 0.00 C ATOM 1616 OG SER A 108 9.100 16.282 -6.777 1.00 0.00 O ATOM 0 H SER A 108 5.898 14.930 -6.837 1.00 0.00 H new ATOM 0 HA SER A 108 7.207 17.224 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.174 14.510 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.971 15.338 -8.606 1.00 0.00 H new ATOM 0 HG SER A 108 9.939 15.829 -6.553 1.00 0.00 H new ATOM 1622 N SER A 109 6.410 16.550 -10.392 1.00 0.00 N ATOM 1623 CA SER A 109 5.963 16.196 -11.728 1.00 0.00 C ATOM 1624 C SER A 109 6.911 15.161 -12.339 1.00 0.00 C ATOM 1625 O SER A 109 7.999 14.926 -11.816 1.00 0.00 O ATOM 1626 CB SER A 109 5.876 17.432 -12.626 1.00 0.00 C ATOM 1627 OG SER A 109 4.528 17.837 -12.847 1.00 0.00 O ATOM 0 H SER A 109 6.585 17.545 -10.250 1.00 0.00 H new ATOM 0 HA SER A 109 4.965 15.765 -11.652 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.431 18.252 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.352 17.219 -13.583 1.00 0.00 H new ATOM 0 HG SER A 109 4.515 18.630 -13.423 1.00 0.00 H new ATOM 1633 N GLY A 110 6.463 14.572 -13.438 1.00 0.00 N ATOM 1634 CA GLY A 110 7.258 13.569 -14.126 1.00 0.00 C ATOM 1635 C GLY A 110 7.975 14.172 -15.335 1.00 0.00 C ATOM 1636 O GLY A 110 8.539 15.261 -15.247 1.00 0.00 O ATOM 0 H GLY A 110 5.560 14.770 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 110 7.990 13.146 -13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.615 12.751 -14.451 1.00 0.00 H new TER 1640 GLY A 110