USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 44 SER OG : rot 36:sc= 0.109 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0719) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.0175 (180deg=-0.155) USER MOD Single : A 64 SER OG : rot -170:sc= -0.941 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -120:sc= -1.3 (180deg=-3.68!) USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= 1.19 (180deg=-0.351) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.814 K(o=0.81,f=-4.8!) USER MOD Single : A 92 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.047) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -139:sc= -0.0598 (180deg=-0.321) USER MOD Single : A 105 GLN : amide:sc= -1.55! C(o=-1.6!,f=-2.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 13.785 -4.532 7.799 1.00 0.00 N ATOM 77 CA SER A 44 12.684 -4.985 8.644 1.00 0.00 C ATOM 78 C SER A 44 11.688 -3.862 8.922 1.00 0.00 C ATOM 79 O SER A 44 11.143 -3.758 10.023 1.00 0.00 O ATOM 80 CB SER A 44 13.228 -5.540 9.964 1.00 0.00 C ATOM 81 OG SER A 44 14.181 -6.568 9.734 1.00 0.00 O ATOM 0 HA SER A 44 12.157 -5.774 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.688 -4.736 10.538 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.406 -5.930 10.564 1.00 0.00 H new ATOM 0 HG SER A 44 14.710 -6.352 8.938 1.00 0.00 H new ATOM 87 N LYS A 45 11.390 -3.088 7.894 1.00 0.00 N ATOM 88 CA LYS A 45 10.394 -2.041 7.998 1.00 0.00 C ATOM 89 C LYS A 45 9.001 -2.646 7.929 1.00 0.00 C ATOM 90 O LYS A 45 8.747 -3.542 7.122 1.00 0.00 O ATOM 91 CB LYS A 45 10.588 -1.009 6.887 1.00 0.00 C ATOM 92 CG LYS A 45 11.943 -0.317 6.926 1.00 0.00 C ATOM 93 CD LYS A 45 12.148 0.408 8.244 1.00 0.00 C ATOM 94 CE LYS A 45 13.451 1.194 8.269 1.00 0.00 C ATOM 95 NZ LYS A 45 14.578 0.392 8.819 1.00 0.00 N ATOM 0 H LYS A 45 11.826 -3.167 6.975 1.00 0.00 H new ATOM 0 HA LYS A 45 10.510 -1.535 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.468 -1.501 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.803 -0.256 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.735 -1.053 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.017 0.392 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.313 1.086 8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.146 -0.315 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.697 1.519 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.320 2.094 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.445 0.966 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.356 0.103 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.721 -0.454 8.231 1.00 0.00 H new ATOM 109 N SER A 46 8.120 -2.197 8.805 1.00 0.00 N ATOM 110 CA SER A 46 6.769 -2.722 8.856 1.00 0.00 C ATOM 111 C SER A 46 5.965 -2.226 7.660 1.00 0.00 C ATOM 112 O SER A 46 5.747 -1.025 7.504 1.00 0.00 O ATOM 113 CB SER A 46 6.094 -2.305 10.166 1.00 0.00 C ATOM 114 OG SER A 46 6.846 -2.736 11.293 1.00 0.00 O ATOM 0 H SER A 46 8.317 -1.469 9.491 1.00 0.00 H new ATOM 0 HA SER A 46 6.811 -3.810 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.984 -1.221 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.091 -2.728 10.212 1.00 0.00 H new ATOM 0 HG SER A 46 6.393 -2.455 12.115 1.00 0.00 H new ATOM 120 N TYR A 47 5.535 -3.147 6.808 1.00 0.00 N ATOM 121 CA TYR A 47 4.774 -2.782 5.621 1.00 0.00 C ATOM 122 C TYR A 47 3.414 -2.218 6.006 1.00 0.00 C ATOM 123 O TYR A 47 2.930 -1.289 5.370 1.00 0.00 O ATOM 124 CB TYR A 47 4.620 -3.970 4.668 1.00 0.00 C ATOM 125 CG TYR A 47 5.903 -4.349 3.959 1.00 0.00 C ATOM 126 CD1 TYR A 47 7.035 -4.724 4.672 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.985 -4.311 2.574 1.00 0.00 C ATOM 128 CE1 TYR A 47 8.210 -5.051 4.026 1.00 0.00 C ATOM 129 CE2 TYR A 47 7.157 -4.640 1.920 1.00 0.00 C ATOM 130 CZ TYR A 47 8.267 -5.008 2.652 1.00 0.00 C ATOM 131 OH TYR A 47 9.435 -5.334 2.007 1.00 0.00 O ATOM 0 H TYR A 47 5.699 -4.148 6.916 1.00 0.00 H new ATOM 0 HA TYR A 47 5.331 -2.007 5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.257 -4.831 5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.860 -3.732 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.995 -4.760 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.119 -4.020 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.081 -5.339 4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.204 -4.609 0.841 1.00 0.00 H new ATOM 0 HH TYR A 47 9.307 -5.254 1.039 1.00 0.00 H new ATOM 141 N ARG A 48 2.864 -2.699 7.116 1.00 0.00 N ATOM 142 CA ARG A 48 1.624 -2.148 7.652 1.00 0.00 C ATOM 143 C ARG A 48 1.784 -0.657 7.941 1.00 0.00 C ATOM 144 O ARG A 48 0.936 0.151 7.577 1.00 0.00 O ATOM 145 CB ARG A 48 1.218 -2.895 8.929 1.00 0.00 C ATOM 146 CG ARG A 48 0.137 -2.190 9.739 1.00 0.00 C ATOM 147 CD ARG A 48 -0.242 -2.981 10.980 1.00 0.00 C ATOM 148 NE ARG A 48 -1.277 -3.976 10.712 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.554 -5.002 11.519 1.00 0.00 C ATOM 150 NH1 ARG A 48 -0.787 -5.250 12.574 1.00 0.00 N ATOM 151 NH2 ARG A 48 -2.589 -5.786 11.260 1.00 0.00 N ATOM 0 H ARG A 48 3.256 -3.467 7.661 1.00 0.00 H new ATOM 0 HA ARG A 48 0.838 -2.275 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.865 -3.890 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.099 -3.028 9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.489 -1.201 10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.746 -2.043 9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.644 -3.479 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.592 -2.295 11.752 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.822 -3.881 9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.018 -4.655 12.770 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.003 -6.035 13.188 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.174 -5.606 10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.801 -6.570 11.876 1.00 0.00 H new ATOM 165 N GLU A 49 2.925 -0.292 8.508 1.00 0.00 N ATOM 166 CA GLU A 49 3.236 1.086 8.791 1.00 0.00 C ATOM 167 C GLU A 49 3.456 1.867 7.497 1.00 0.00 C ATOM 168 O GLU A 49 2.804 2.878 7.261 1.00 0.00 O ATOM 169 CB GLU A 49 4.482 1.122 9.672 1.00 0.00 C ATOM 170 CG GLU A 49 5.150 2.469 9.729 1.00 0.00 C ATOM 171 CD GLU A 49 4.440 3.450 10.640 1.00 0.00 C ATOM 172 OE1 GLU A 49 3.357 3.116 11.160 1.00 0.00 O ATOM 173 OE2 GLU A 49 4.967 4.563 10.850 1.00 0.00 O ATOM 0 H GLU A 49 3.656 -0.949 8.782 1.00 0.00 H new ATOM 0 HA GLU A 49 2.403 1.558 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.209 0.820 10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.198 0.388 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.177 2.344 10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.198 2.886 8.723 1.00 0.00 H new ATOM 180 N LEU A 50 4.358 1.361 6.660 1.00 0.00 N ATOM 181 CA LEU A 50 4.699 1.998 5.388 1.00 0.00 C ATOM 182 C LEU A 50 3.462 2.257 4.534 1.00 0.00 C ATOM 183 O LEU A 50 3.243 3.370 4.054 1.00 0.00 O ATOM 184 CB LEU A 50 5.656 1.095 4.611 1.00 0.00 C ATOM 185 CG LEU A 50 7.153 1.273 4.892 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.430 1.540 6.358 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.899 0.031 4.459 1.00 0.00 C ATOM 0 H LEU A 50 4.873 0.500 6.843 1.00 0.00 H new ATOM 0 HA LEU A 50 5.167 2.957 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.391 0.059 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.488 1.258 3.546 1.00 0.00 H new ATOM 0 HG LEU A 50 7.495 2.139 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.503 1.659 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.917 2.451 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.070 0.702 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.963 0.158 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.525 -0.830 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.747 -0.131 3.392 1.00 0.00 H new ATOM 199 N ILE A 51 2.689 1.205 4.315 1.00 0.00 N ATOM 200 CA ILE A 51 1.511 1.282 3.471 1.00 0.00 C ATOM 201 C ILE A 51 0.459 2.186 4.076 1.00 0.00 C ATOM 202 O ILE A 51 -0.038 3.076 3.407 1.00 0.00 O ATOM 203 CB ILE A 51 0.909 -0.112 3.223 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.916 -0.977 2.466 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.407 -0.012 2.460 1.00 0.00 C ATOM 206 CD1 ILE A 51 1.415 -2.366 2.164 1.00 0.00 C ATOM 0 H ILE A 51 2.860 0.282 4.714 1.00 0.00 H new ATOM 0 HA ILE A 51 1.830 1.703 2.517 1.00 0.00 H new ATOM 0 HB ILE A 51 0.694 -0.579 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.175 -0.482 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.832 -1.050 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.811 -1.012 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.119 0.578 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.234 0.469 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.183 -2.921 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.183 -2.880 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.516 -2.303 1.551 1.00 0.00 H new ATOM 218 N ILE A 52 0.128 1.964 5.340 1.00 0.00 N ATOM 219 CA ILE A 52 -0.897 2.756 5.999 1.00 0.00 C ATOM 220 C ILE A 52 -0.512 4.229 6.075 1.00 0.00 C ATOM 221 O ILE A 52 -1.332 5.094 5.775 1.00 0.00 O ATOM 222 CB ILE A 52 -1.220 2.215 7.405 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.061 0.940 7.281 1.00 0.00 C ATOM 224 CG2 ILE A 52 -1.943 3.273 8.223 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.236 0.191 8.579 1.00 0.00 C ATOM 0 H ILE A 52 0.553 1.245 5.926 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.796 2.672 5.388 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.293 1.970 7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.044 1.202 6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.594 0.278 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.165 2.878 9.214 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.310 4.155 8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.873 3.546 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.842 -0.698 8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.260 -0.104 8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.733 0.834 9.306 1.00 0.00 H new ATOM 237 N GLU A 53 0.746 4.505 6.405 1.00 0.00 N ATOM 238 CA GLU A 53 1.245 5.877 6.452 1.00 0.00 C ATOM 239 C GLU A 53 1.002 6.588 5.133 1.00 0.00 C ATOM 240 O GLU A 53 0.552 7.734 5.105 1.00 0.00 O ATOM 241 CB GLU A 53 2.731 5.897 6.779 1.00 0.00 C ATOM 242 CG GLU A 53 3.021 6.085 8.254 1.00 0.00 C ATOM 243 CD GLU A 53 2.420 7.359 8.808 1.00 0.00 C ATOM 244 OE1 GLU A 53 2.781 8.452 8.324 1.00 0.00 O ATOM 245 OE2 GLU A 53 1.585 7.274 9.733 1.00 0.00 O ATOM 0 H GLU A 53 1.440 3.797 6.644 1.00 0.00 H new ATOM 0 HA GLU A 53 0.701 6.401 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.182 4.963 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.208 6.700 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.630 5.232 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.100 6.099 8.409 1.00 0.00 H new ATOM 252 N GLY A 54 1.215 5.874 4.042 1.00 0.00 N ATOM 253 CA GLY A 54 0.895 6.420 2.749 1.00 0.00 C ATOM 254 C GLY A 54 -0.581 6.414 2.502 1.00 0.00 C ATOM 255 O GLY A 54 -1.168 7.448 2.222 1.00 0.00 O ATOM 0 H GLY A 54 1.602 4.930 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.273 7.440 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.397 5.841 1.974 1.00 0.00 H new ATOM 259 N LEU A 55 -1.152 5.224 2.543 1.00 0.00 N ATOM 260 CA LEU A 55 -2.549 4.983 2.222 1.00 0.00 C ATOM 261 C LEU A 55 -3.486 5.998 2.890 1.00 0.00 C ATOM 262 O LEU A 55 -4.458 6.448 2.289 1.00 0.00 O ATOM 263 CB LEU A 55 -2.893 3.562 2.655 1.00 0.00 C ATOM 264 CG LEU A 55 -4.185 2.992 2.102 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.144 2.988 0.590 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.401 1.584 2.628 1.00 0.00 C ATOM 0 H LEU A 55 -0.647 4.378 2.806 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.692 5.103 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.074 2.906 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.945 3.538 3.743 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.016 3.617 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.076 2.577 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.018 4.008 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.308 2.376 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.331 1.184 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.570 0.949 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.457 1.607 3.716 1.00 0.00 H new ATOM 278 N THR A 56 -3.169 6.376 4.121 1.00 0.00 N ATOM 279 CA THR A 56 -3.952 7.362 4.854 1.00 0.00 C ATOM 280 C THR A 56 -3.736 8.765 4.277 1.00 0.00 C ATOM 281 O THR A 56 -4.605 9.635 4.369 1.00 0.00 O ATOM 282 CB THR A 56 -3.586 7.356 6.364 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.540 8.118 7.111 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.198 7.929 6.605 1.00 0.00 C ATOM 0 H THR A 56 -2.368 6.011 4.637 1.00 0.00 H new ATOM 0 HA THR A 56 -5.003 7.092 4.748 1.00 0.00 H new ATOM 0 HB THR A 56 -3.598 6.318 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.298 8.104 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.976 7.909 7.672 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.460 7.332 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.162 8.958 6.246 1.00 0.00 H new ATOM 292 N ALA A 57 -2.535 8.995 3.770 1.00 0.00 N ATOM 293 CA ALA A 57 -2.120 10.304 3.304 1.00 0.00 C ATOM 294 C ALA A 57 -2.503 10.562 1.845 1.00 0.00 C ATOM 295 O ALA A 57 -2.825 11.692 1.489 1.00 0.00 O ATOM 296 CB ALA A 57 -0.615 10.462 3.499 1.00 0.00 C ATOM 0 H ALA A 57 -1.820 8.275 3.671 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.651 11.048 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.304 11.446 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.373 10.360 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.092 9.693 2.931 1.00 0.00 H new ATOM 302 N LEU A 58 -2.344 9.565 0.971 1.00 0.00 N ATOM 303 CA LEU A 58 -2.538 9.804 -0.456 1.00 0.00 C ATOM 304 C LEU A 58 -3.833 9.176 -0.984 1.00 0.00 C ATOM 305 O LEU A 58 -3.999 9.010 -2.196 1.00 0.00 O ATOM 306 CB LEU A 58 -1.327 9.306 -1.264 1.00 0.00 C ATOM 307 CG LEU A 58 -1.326 7.825 -1.663 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.407 7.600 -2.847 1.00 0.00 C ATOM 309 CD2 LEU A 58 -0.902 6.940 -0.525 1.00 0.00 C ATOM 0 H LEU A 58 -2.088 8.609 1.220 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.628 10.882 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.256 9.903 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.426 9.502 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.348 7.562 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.416 6.545 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.750 8.196 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.608 7.897 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.915 5.899 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.106 7.210 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.589 7.068 0.311 1.00 0.00 H new ATOM 321 N LYS A 59 -4.776 8.886 -0.085 1.00 0.00 N ATOM 322 CA LYS A 59 -6.054 8.301 -0.485 1.00 0.00 C ATOM 323 C LYS A 59 -6.870 9.293 -1.321 1.00 0.00 C ATOM 324 O LYS A 59 -7.669 8.884 -2.166 1.00 0.00 O ATOM 325 CB LYS A 59 -6.863 7.826 0.736 1.00 0.00 C ATOM 326 CG LYS A 59 -7.743 8.890 1.387 1.00 0.00 C ATOM 327 CD LYS A 59 -6.920 9.948 2.110 1.00 0.00 C ATOM 328 CE LYS A 59 -7.804 10.976 2.803 1.00 0.00 C ATOM 329 NZ LYS A 59 -8.569 10.394 3.943 1.00 0.00 N ATOM 0 H LYS A 59 -4.679 9.046 0.918 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.837 7.428 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.495 6.992 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.169 7.443 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.358 9.368 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.423 8.415 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.276 9.467 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.268 10.452 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.186 11.797 3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.501 11.398 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.035 11.157 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.288 9.737 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.918 9.882 4.572 1.00 0.00 H new ATOM 343 N GLU A 60 -6.611 10.587 -1.103 1.00 0.00 N ATOM 344 CA GLU A 60 -7.215 11.687 -1.868 1.00 0.00 C ATOM 345 C GLU A 60 -8.716 11.849 -1.625 1.00 0.00 C ATOM 346 O GLU A 60 -9.195 12.965 -1.423 1.00 0.00 O ATOM 347 CB GLU A 60 -6.917 11.520 -3.357 1.00 0.00 C ATOM 348 CG GLU A 60 -5.450 11.744 -3.682 1.00 0.00 C ATOM 349 CD GLU A 60 -5.042 13.193 -3.513 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.513 14.050 -4.293 1.00 0.00 O ATOM 351 OE2 GLU A 60 -4.229 13.485 -2.609 1.00 0.00 O ATOM 0 H GLU A 60 -5.966 10.906 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.755 12.607 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.208 10.518 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.524 12.223 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.836 11.118 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.255 11.430 -4.707 1.00 0.00 H new ATOM 358 N ARG A 61 -9.458 10.759 -1.648 1.00 0.00 N ATOM 359 CA ARG A 61 -10.894 10.825 -1.450 1.00 0.00 C ATOM 360 C ARG A 61 -11.413 9.533 -0.839 1.00 0.00 C ATOM 361 O ARG A 61 -12.151 9.561 0.146 1.00 0.00 O ATOM 362 CB ARG A 61 -11.587 11.113 -2.781 1.00 0.00 C ATOM 363 CG ARG A 61 -13.082 11.353 -2.659 1.00 0.00 C ATOM 364 CD ARG A 61 -13.613 12.103 -3.869 1.00 0.00 C ATOM 365 NE ARG A 61 -13.329 11.403 -5.122 1.00 0.00 N ATOM 366 CZ ARG A 61 -13.402 11.973 -6.325 1.00 0.00 C ATOM 367 NH1 ARG A 61 -13.696 13.260 -6.438 1.00 0.00 N ATOM 368 NH2 ARG A 61 -13.164 11.253 -7.414 1.00 0.00 N ATOM 0 H ARG A 61 -9.092 9.819 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.117 11.635 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.125 11.988 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.418 10.274 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.600 10.399 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.290 11.923 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.690 12.238 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.168 13.098 -3.902 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.059 10.421 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.868 13.819 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.751 13.692 -7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.926 10.265 -7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.220 11.688 -8.335 1.00 0.00 H new ATOM 382 N LYS A 62 -10.972 8.404 -1.380 1.00 0.00 N ATOM 383 CA LYS A 62 -11.364 7.099 -0.854 1.00 0.00 C ATOM 384 C LYS A 62 -10.626 5.967 -1.559 1.00 0.00 C ATOM 385 O LYS A 62 -11.118 4.841 -1.616 1.00 0.00 O ATOM 386 CB LYS A 62 -12.876 6.882 -0.996 1.00 0.00 C ATOM 387 CG LYS A 62 -13.360 6.871 -2.436 1.00 0.00 C ATOM 388 CD LYS A 62 -14.801 6.401 -2.528 1.00 0.00 C ATOM 389 CE LYS A 62 -15.288 6.360 -3.967 1.00 0.00 C ATOM 390 NZ LYS A 62 -15.292 7.709 -4.591 1.00 0.00 N ATOM 0 H LYS A 62 -10.343 8.364 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.095 7.088 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.144 5.936 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.399 7.668 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.274 7.872 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.723 6.217 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.889 5.409 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.439 7.067 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.649 5.694 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.295 5.943 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.815 7.674 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.751 8.387 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.313 8.011 -4.771 1.00 0.00 H new ATOM 404 N GLY A 63 -9.445 6.253 -2.078 1.00 0.00 N ATOM 405 CA GLY A 63 -8.686 5.224 -2.753 1.00 0.00 C ATOM 406 C GLY A 63 -7.446 5.760 -3.427 1.00 0.00 C ATOM 407 O GLY A 63 -7.502 6.757 -4.141 1.00 0.00 O ATOM 0 H GLY A 63 -9.001 7.171 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.400 4.458 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.319 4.741 -3.497 1.00 0.00 H new ATOM 411 N SER A 64 -6.338 5.073 -3.220 1.00 0.00 N ATOM 412 CA SER A 64 -5.072 5.438 -3.828 1.00 0.00 C ATOM 413 C SER A 64 -4.484 4.252 -4.573 1.00 0.00 C ATOM 414 O SER A 64 -4.621 3.106 -4.139 1.00 0.00 O ATOM 415 CB SER A 64 -4.097 5.932 -2.760 1.00 0.00 C ATOM 416 OG SER A 64 -4.424 5.409 -1.483 1.00 0.00 O ATOM 0 H SER A 64 -6.290 4.246 -2.625 1.00 0.00 H new ATOM 0 HA SER A 64 -5.246 6.244 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.082 5.638 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.114 7.021 -2.725 1.00 0.00 H new ATOM 0 HG SER A 64 -3.888 5.860 -0.798 1.00 0.00 H new ATOM 422 N SER A 65 -3.887 4.524 -5.722 1.00 0.00 N ATOM 423 CA SER A 65 -3.320 3.482 -6.557 1.00 0.00 C ATOM 424 C SER A 65 -2.191 2.759 -5.828 1.00 0.00 C ATOM 425 O SER A 65 -1.343 3.393 -5.201 1.00 0.00 O ATOM 426 CB SER A 65 -2.800 4.095 -7.855 1.00 0.00 C ATOM 427 OG SER A 65 -3.782 4.935 -8.446 1.00 0.00 O ATOM 0 H SER A 65 -3.783 5.466 -6.098 1.00 0.00 H new ATOM 0 HA SER A 65 -4.098 2.753 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.896 4.670 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.525 3.303 -8.552 1.00 0.00 H new ATOM 0 HG SER A 65 -3.428 5.319 -9.275 1.00 0.00 H new ATOM 433 N ARG A 66 -2.174 1.436 -5.945 1.00 0.00 N ATOM 434 CA ARG A 66 -1.143 0.609 -5.323 1.00 0.00 C ATOM 435 C ARG A 66 0.278 1.064 -5.709 1.00 0.00 C ATOM 436 O ARG A 66 1.115 1.263 -4.827 1.00 0.00 O ATOM 437 CB ARG A 66 -1.369 -0.863 -5.677 1.00 0.00 C ATOM 438 CG ARG A 66 -2.498 -1.491 -4.877 1.00 0.00 C ATOM 439 CD ARG A 66 -2.986 -2.798 -5.486 1.00 0.00 C ATOM 440 NE ARG A 66 -1.896 -3.729 -5.771 1.00 0.00 N ATOM 441 CZ ARG A 66 -2.082 -5.016 -6.064 1.00 0.00 C ATOM 442 NH1 ARG A 66 -3.281 -5.564 -5.935 1.00 0.00 N ATOM 443 NH2 ARG A 66 -1.065 -5.766 -6.450 1.00 0.00 N ATOM 0 H ARG A 66 -2.870 0.907 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.225 0.728 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.592 -0.947 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.449 -1.421 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.159 -1.673 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.330 -0.789 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.693 -3.270 -4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.527 -2.585 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.940 -3.374 -5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.067 -5.001 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.418 -6.549 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.132 -5.361 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.213 -6.750 -6.673 1.00 0.00 H new ATOM 457 N PRO A 67 0.578 1.273 -7.015 1.00 0.00 N ATOM 458 CA PRO A 67 1.900 1.753 -7.443 1.00 0.00 C ATOM 459 C PRO A 67 2.288 3.074 -6.776 1.00 0.00 C ATOM 460 O PRO A 67 3.455 3.297 -6.454 1.00 0.00 O ATOM 461 CB PRO A 67 1.755 1.944 -8.957 1.00 0.00 C ATOM 462 CG PRO A 67 0.291 1.972 -9.214 1.00 0.00 C ATOM 463 CD PRO A 67 -0.326 1.095 -8.168 1.00 0.00 C ATOM 0 HA PRO A 67 2.686 1.050 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.229 2.870 -9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.234 1.131 -9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.097 2.988 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.063 1.606 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.345 1.402 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.372 0.054 -8.489 1.00 0.00 H new ATOM 471 N ALA A 68 1.297 3.927 -6.534 1.00 0.00 N ATOM 472 CA ALA A 68 1.528 5.210 -5.881 1.00 0.00 C ATOM 473 C ALA A 68 2.075 5.015 -4.466 1.00 0.00 C ATOM 474 O ALA A 68 3.043 5.672 -4.075 1.00 0.00 O ATOM 475 CB ALA A 68 0.249 6.029 -5.860 1.00 0.00 C ATOM 0 H ALA A 68 0.323 3.751 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 68 2.278 5.756 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.437 6.984 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.087 6.206 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.522 5.486 -5.314 1.00 0.00 H new ATOM 481 N LEU A 69 1.477 4.093 -3.713 1.00 0.00 N ATOM 482 CA LEU A 69 1.952 3.782 -2.371 1.00 0.00 C ATOM 483 C LEU A 69 3.388 3.271 -2.390 1.00 0.00 C ATOM 484 O LEU A 69 4.192 3.644 -1.538 1.00 0.00 O ATOM 485 CB LEU A 69 1.053 2.755 -1.692 1.00 0.00 C ATOM 486 CG LEU A 69 -0.220 3.325 -1.082 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.335 3.397 -2.106 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.641 2.507 0.121 1.00 0.00 C ATOM 0 H LEU A 69 0.666 3.551 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 69 1.921 4.711 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.780 1.993 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.623 2.256 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.012 4.342 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.231 3.808 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.029 4.038 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.548 2.397 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.553 2.927 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.825 1.477 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.151 2.527 0.870 1.00 0.00 H new ATOM 500 N LYS A 70 3.719 2.435 -3.372 1.00 0.00 N ATOM 501 CA LYS A 70 5.077 1.910 -3.494 1.00 0.00 C ATOM 502 C LYS A 70 6.071 3.045 -3.701 1.00 0.00 C ATOM 503 O LYS A 70 7.160 3.041 -3.128 1.00 0.00 O ATOM 504 CB LYS A 70 5.189 0.904 -4.641 1.00 0.00 C ATOM 505 CG LYS A 70 4.319 -0.325 -4.451 1.00 0.00 C ATOM 506 CD LYS A 70 4.902 -1.556 -5.140 1.00 0.00 C ATOM 507 CE LYS A 70 5.159 -1.333 -6.622 1.00 0.00 C ATOM 508 NZ LYS A 70 3.921 -0.995 -7.370 1.00 0.00 N ATOM 0 H LYS A 70 3.071 2.109 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 70 5.313 1.392 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.912 1.395 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.229 0.592 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.205 -0.527 -3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.323 -0.127 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.836 -1.833 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.217 -2.395 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.885 -0.529 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.604 -2.232 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.755 -1.709 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.113 -0.979 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.027 -0.060 -7.812 1.00 0.00 H new ATOM 522 N LYS A 71 5.640 4.065 -4.433 1.00 0.00 N ATOM 523 CA LYS A 71 6.447 5.261 -4.623 1.00 0.00 C ATOM 524 C LYS A 71 6.631 5.974 -3.301 1.00 0.00 C ATOM 525 O LYS A 71 7.749 6.276 -2.891 1.00 0.00 O ATOM 526 CB LYS A 71 5.770 6.206 -5.619 1.00 0.00 C ATOM 527 CG LYS A 71 6.417 7.580 -5.685 1.00 0.00 C ATOM 528 CD LYS A 71 5.763 8.459 -6.736 1.00 0.00 C ATOM 529 CE LYS A 71 6.330 9.868 -6.707 1.00 0.00 C ATOM 530 NZ LYS A 71 7.798 9.887 -6.936 1.00 0.00 N ATOM 0 H LYS A 71 4.736 4.087 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 71 7.420 4.965 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.793 5.754 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.721 6.320 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.345 8.063 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.478 7.472 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.915 8.024 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.687 8.494 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.837 10.472 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.108 10.327 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.034 10.639 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.287 10.066 -6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.102 8.969 -7.318 1.00 0.00 H new ATOM 544 N PHE A 72 5.513 6.185 -2.630 1.00 0.00 N ATOM 545 CA PHE A 72 5.486 6.836 -1.326 1.00 0.00 C ATOM 546 C PHE A 72 6.457 6.163 -0.360 1.00 0.00 C ATOM 547 O PHE A 72 7.195 6.834 0.369 1.00 0.00 O ATOM 548 CB PHE A 72 4.069 6.783 -0.751 1.00 0.00 C ATOM 549 CG PHE A 72 3.911 7.540 0.534 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.561 8.879 0.524 1.00 0.00 C ATOM 551 CD2 PHE A 72 4.125 6.912 1.747 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.420 9.579 1.706 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.986 7.607 2.934 1.00 0.00 C ATOM 554 CZ PHE A 72 3.604 8.937 2.912 1.00 0.00 C ATOM 0 H PHE A 72 4.593 5.910 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 72 5.791 7.874 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.373 7.185 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.792 5.742 -0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.396 9.381 -0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.403 5.869 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.166 10.628 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.175 7.113 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.450 9.471 3.838 1.00 0.00 H new ATOM 564 N ILE A 73 6.450 4.838 -0.362 1.00 0.00 N ATOM 565 CA ILE A 73 7.319 4.070 0.510 1.00 0.00 C ATOM 566 C ILE A 73 8.783 4.287 0.144 1.00 0.00 C ATOM 567 O ILE A 73 9.611 4.508 1.016 1.00 0.00 O ATOM 568 CB ILE A 73 6.986 2.562 0.470 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.564 2.319 0.988 1.00 0.00 C ATOM 570 CG2 ILE A 73 8.001 1.776 1.289 1.00 0.00 C ATOM 571 CD1 ILE A 73 5.138 0.865 0.949 1.00 0.00 C ATOM 0 H ILE A 73 5.849 4.273 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 73 7.148 4.427 1.526 1.00 0.00 H new ATOM 0 HB ILE A 73 7.038 2.217 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.494 2.681 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.865 2.908 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.755 0.715 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.999 1.931 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.977 2.118 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.121 0.773 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.174 0.503 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.812 0.272 1.566 1.00 0.00 H new ATOM 583 N LYS A 74 9.085 4.291 -1.150 1.00 0.00 N ATOM 584 CA LYS A 74 10.451 4.528 -1.613 1.00 0.00 C ATOM 585 C LYS A 74 10.930 5.930 -1.247 1.00 0.00 C ATOM 586 O LYS A 74 12.100 6.127 -0.913 1.00 0.00 O ATOM 587 CB LYS A 74 10.552 4.338 -3.127 1.00 0.00 C ATOM 588 CG LYS A 74 10.306 2.913 -3.593 1.00 0.00 C ATOM 589 CD LYS A 74 10.574 2.775 -5.079 1.00 0.00 C ATOM 590 CE LYS A 74 10.384 1.348 -5.558 1.00 0.00 C ATOM 591 NZ LYS A 74 10.789 1.191 -6.980 1.00 0.00 N ATOM 0 H LYS A 74 8.407 4.134 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 74 11.090 3.800 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.833 4.997 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.543 4.650 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.949 2.229 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.276 2.628 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.905 3.435 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.592 3.098 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.971 0.673 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.339 1.061 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.646 0.204 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.212 1.817 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.793 1.442 -7.085 1.00 0.00 H new ATOM 605 N GLU A 75 10.037 6.905 -1.370 1.00 0.00 N ATOM 606 CA GLU A 75 10.371 8.296 -1.095 1.00 0.00 C ATOM 607 C GLU A 75 10.750 8.486 0.370 1.00 0.00 C ATOM 608 O GLU A 75 11.652 9.262 0.696 1.00 0.00 O ATOM 609 CB GLU A 75 9.190 9.210 -1.442 1.00 0.00 C ATOM 610 CG GLU A 75 8.711 9.088 -2.883 1.00 0.00 C ATOM 611 CD GLU A 75 9.679 9.666 -3.892 1.00 0.00 C ATOM 612 OE1 GLU A 75 10.869 9.283 -3.860 1.00 0.00 O ATOM 613 OE2 GLU A 75 9.268 10.523 -4.704 1.00 0.00 O ATOM 0 H GLU A 75 9.071 6.756 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 75 11.226 8.563 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.360 8.982 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.477 10.244 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.543 8.036 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.750 9.593 -2.982 1.00 0.00 H new ATOM 620 N ASN A 76 10.002 7.841 1.251 1.00 0.00 N ATOM 621 CA ASN A 76 10.186 8.028 2.686 1.00 0.00 C ATOM 622 C ASN A 76 11.115 6.978 3.290 1.00 0.00 C ATOM 623 O ASN A 76 11.980 7.306 4.104 1.00 0.00 O ATOM 624 CB ASN A 76 8.831 8.003 3.394 1.00 0.00 C ATOM 625 CG ASN A 76 8.000 9.230 3.083 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.307 10.334 3.533 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.959 9.051 2.287 1.00 0.00 N ATOM 0 H ASN A 76 9.263 7.184 1.001 1.00 0.00 H new ATOM 0 HA ASN A 76 10.657 9.000 2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.283 7.110 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.987 7.935 4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.376 9.845 2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.740 8.119 1.936 1.00 0.00 H new ATOM 634 N TYR A 77 10.939 5.723 2.900 1.00 0.00 N ATOM 635 CA TYR A 77 11.751 4.627 3.429 1.00 0.00 C ATOM 636 C TYR A 77 12.507 3.919 2.307 1.00 0.00 C ATOM 637 O TYR A 77 12.085 2.860 1.840 1.00 0.00 O ATOM 638 CB TYR A 77 10.879 3.603 4.170 1.00 0.00 C ATOM 639 CG TYR A 77 10.126 4.160 5.357 1.00 0.00 C ATOM 640 CD1 TYR A 77 9.010 4.966 5.174 1.00 0.00 C ATOM 641 CD2 TYR A 77 10.526 3.882 6.657 1.00 0.00 C ATOM 642 CE1 TYR A 77 8.316 5.478 6.252 1.00 0.00 C ATOM 643 CE2 TYR A 77 9.837 4.387 7.741 1.00 0.00 C ATOM 644 CZ TYR A 77 8.749 5.185 7.544 1.00 0.00 C ATOM 645 OH TYR A 77 8.039 5.682 8.611 1.00 0.00 O ATOM 0 H TYR A 77 10.239 5.434 2.217 1.00 0.00 H new ATOM 0 HA TYR A 77 12.466 5.061 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.161 3.180 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.513 2.784 4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.680 5.196 4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.392 3.259 6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.446 6.099 6.096 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.159 4.150 8.744 1.00 0.00 H new ATOM 0 HH TYR A 77 8.460 5.393 9.447 1.00 0.00 H new ATOM 655 N PRO A 78 13.650 4.475 1.873 1.00 0.00 N ATOM 656 CA PRO A 78 14.460 3.886 0.798 1.00 0.00 C ATOM 657 C PRO A 78 14.971 2.488 1.138 1.00 0.00 C ATOM 658 O PRO A 78 15.258 1.693 0.244 1.00 0.00 O ATOM 659 CB PRO A 78 15.635 4.855 0.648 1.00 0.00 C ATOM 660 CG PRO A 78 15.669 5.637 1.916 1.00 0.00 C ATOM 661 CD PRO A 78 14.247 5.717 2.391 1.00 0.00 C ATOM 0 HA PRO A 78 13.874 3.760 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.570 4.317 0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.497 5.509 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.301 5.150 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.081 6.632 1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.188 5.770 3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.741 6.600 2.001 1.00 0.00 H new ATOM 669 N ILE A 79 15.056 2.196 2.435 1.00 0.00 N ATOM 670 CA ILE A 79 15.522 0.899 2.916 1.00 0.00 C ATOM 671 C ILE A 79 14.724 -0.219 2.277 1.00 0.00 C ATOM 672 O ILE A 79 15.243 -1.035 1.517 1.00 0.00 O ATOM 673 CB ILE A 79 15.334 0.759 4.441 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.836 1.998 5.192 1.00 0.00 C ATOM 675 CG2 ILE A 79 16.057 -0.483 4.941 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.813 3.110 5.305 1.00 0.00 C ATOM 0 H ILE A 79 14.805 2.849 3.177 1.00 0.00 H new ATOM 0 HA ILE A 79 16.579 0.834 2.657 1.00 0.00 H new ATOM 0 HB ILE A 79 14.266 0.664 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.146 1.701 6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.721 2.383 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.920 -0.575 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 79 15.650 -1.365 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.120 -0.400 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.246 3.949 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.519 3.437 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.936 2.745 5.840 1.00 0.00 H new ATOM 688 N VAL A 80 13.444 -0.206 2.579 1.00 0.00 N ATOM 689 CA VAL A 80 12.508 -1.162 2.045 1.00 0.00 C ATOM 690 C VAL A 80 12.162 -0.794 0.610 1.00 0.00 C ATOM 691 O VAL A 80 11.919 -1.666 -0.221 1.00 0.00 O ATOM 692 CB VAL A 80 11.251 -1.196 2.930 1.00 0.00 C ATOM 693 CG1 VAL A 80 10.003 -1.009 2.120 1.00 0.00 C ATOM 694 CG2 VAL A 80 11.180 -2.484 3.732 1.00 0.00 C ATOM 0 H VAL A 80 13.023 0.477 3.209 1.00 0.00 H new ATOM 0 HA VAL A 80 12.953 -2.157 2.042 1.00 0.00 H new ATOM 0 HB VAL A 80 11.324 -0.363 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.134 -1.039 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.040 -0.046 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.926 -1.807 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.281 -2.480 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.150 -3.335 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.059 -2.563 4.372 1.00 0.00 H new ATOM 704 N GLY A 81 12.140 0.505 0.333 1.00 0.00 N ATOM 705 CA GLY A 81 11.808 0.970 -0.992 1.00 0.00 C ATOM 706 C GLY A 81 12.660 0.321 -2.067 1.00 0.00 C ATOM 707 O GLY A 81 12.152 -0.083 -3.114 1.00 0.00 O ATOM 0 H GLY A 81 12.347 1.242 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.757 0.764 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.935 2.052 -1.036 1.00 0.00 H new ATOM 711 N SER A 82 13.949 0.179 -1.792 1.00 0.00 N ATOM 712 CA SER A 82 14.862 -0.460 -2.720 1.00 0.00 C ATOM 713 C SER A 82 15.215 -1.873 -2.251 1.00 0.00 C ATOM 714 O SER A 82 16.316 -2.362 -2.500 1.00 0.00 O ATOM 715 CB SER A 82 16.132 0.381 -2.841 1.00 0.00 C ATOM 716 OG SER A 82 15.820 1.754 -3.019 1.00 0.00 O ATOM 0 H SER A 82 14.385 0.501 -0.928 1.00 0.00 H new ATOM 0 HA SER A 82 14.377 -0.536 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.741 0.256 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.727 0.028 -3.683 1.00 0.00 H new ATOM 0 HG SER A 82 16.649 2.271 -3.092 1.00 0.00 H new ATOM 722 N ALA A 83 14.286 -2.525 -1.559 1.00 0.00 N ATOM 723 CA ALA A 83 14.527 -3.866 -1.036 1.00 0.00 C ATOM 724 C ALA A 83 14.287 -4.941 -2.097 1.00 0.00 C ATOM 725 O ALA A 83 13.636 -5.951 -1.828 1.00 0.00 O ATOM 726 CB ALA A 83 13.663 -4.124 0.193 1.00 0.00 C ATOM 0 H ALA A 83 13.362 -2.148 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 83 15.576 -3.921 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.856 -5.129 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.903 -3.394 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.611 -4.034 -0.077 1.00 0.00 H new ATOM 732 N SER A 84 14.870 -4.736 -3.279 1.00 0.00 N ATOM 733 CA SER A 84 14.796 -5.699 -4.376 1.00 0.00 C ATOM 734 C SER A 84 13.340 -6.030 -4.730 1.00 0.00 C ATOM 735 O SER A 84 12.652 -5.226 -5.357 1.00 0.00 O ATOM 736 CB SER A 84 15.587 -6.967 -4.025 1.00 0.00 C ATOM 737 OG SER A 84 15.712 -7.829 -5.146 1.00 0.00 O ATOM 0 H SER A 84 15.406 -3.898 -3.502 1.00 0.00 H new ATOM 0 HA SER A 84 15.248 -5.247 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.578 -6.691 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.088 -7.495 -3.212 1.00 0.00 H new ATOM 0 HG SER A 84 16.222 -8.626 -4.891 1.00 0.00 H new ATOM 743 N ASN A 85 12.866 -7.201 -4.304 1.00 0.00 N ATOM 744 CA ASN A 85 11.498 -7.633 -4.574 1.00 0.00 C ATOM 745 C ASN A 85 10.516 -7.002 -3.594 1.00 0.00 C ATOM 746 O ASN A 85 9.525 -7.622 -3.202 1.00 0.00 O ATOM 747 CB ASN A 85 11.389 -9.161 -4.513 1.00 0.00 C ATOM 748 CG ASN A 85 12.167 -9.841 -5.620 1.00 0.00 C ATOM 749 OD1 ASN A 85 11.900 -9.633 -6.806 1.00 0.00 O ATOM 750 ND2 ASN A 85 13.134 -10.657 -5.242 1.00 0.00 N ATOM 0 H ASN A 85 13.416 -7.871 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 85 11.241 -7.301 -5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.756 -9.510 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.340 -9.450 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.693 -11.144 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.321 -10.800 -4.250 1.00 0.00 H new ATOM 757 N PHE A 86 10.750 -5.733 -3.287 1.00 0.00 N ATOM 758 CA PHE A 86 9.854 -4.959 -2.443 1.00 0.00 C ATOM 759 C PHE A 86 8.460 -4.918 -3.054 1.00 0.00 C ATOM 760 O PHE A 86 7.454 -5.016 -2.354 1.00 0.00 O ATOM 761 CB PHE A 86 10.400 -3.536 -2.278 1.00 0.00 C ATOM 762 CG PHE A 86 9.361 -2.526 -1.884 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.723 -2.625 -0.659 1.00 0.00 C ATOM 764 CD2 PHE A 86 9.028 -1.480 -2.727 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.776 -1.696 -0.281 1.00 0.00 C ATOM 766 CE2 PHE A 86 8.080 -0.549 -2.356 1.00 0.00 C ATOM 767 CZ PHE A 86 7.427 -0.665 -1.182 1.00 0.00 C ATOM 0 H PHE A 86 11.564 -5.214 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 86 9.790 -5.433 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.188 -3.545 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.859 -3.223 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.969 -3.438 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.516 -1.392 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.308 -1.756 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.859 0.280 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.639 0.029 -0.931 1.00 0.00 H new ATOM 777 N ASP A 87 8.418 -4.772 -4.371 1.00 0.00 N ATOM 778 CA ASP A 87 7.156 -4.690 -5.099 1.00 0.00 C ATOM 779 C ASP A 87 6.317 -5.933 -4.854 1.00 0.00 C ATOM 780 O ASP A 87 5.129 -5.845 -4.546 1.00 0.00 O ATOM 781 CB ASP A 87 7.402 -4.535 -6.603 1.00 0.00 C ATOM 782 CG ASP A 87 8.308 -3.370 -6.940 1.00 0.00 C ATOM 783 OD1 ASP A 87 9.491 -3.401 -6.541 1.00 0.00 O ATOM 784 OD2 ASP A 87 7.849 -2.426 -7.613 1.00 0.00 O ATOM 0 H ASP A 87 9.247 -4.707 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 87 6.620 -3.814 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.843 -5.454 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.446 -4.402 -7.110 1.00 0.00 H new ATOM 789 N LEU A 88 6.966 -7.088 -4.927 1.00 0.00 N ATOM 790 CA LEU A 88 6.308 -8.365 -4.696 1.00 0.00 C ATOM 791 C LEU A 88 5.776 -8.432 -3.271 1.00 0.00 C ATOM 792 O LEU A 88 4.628 -8.818 -3.033 1.00 0.00 O ATOM 793 CB LEU A 88 7.305 -9.510 -4.972 1.00 0.00 C ATOM 794 CG LEU A 88 6.752 -10.940 -4.881 1.00 0.00 C ATOM 795 CD1 LEU A 88 6.938 -11.508 -3.483 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.286 -10.973 -5.280 1.00 0.00 C ATOM 0 H LEU A 88 7.959 -7.165 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 88 5.460 -8.469 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.719 -9.368 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.132 -9.419 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 88 7.313 -11.564 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.538 -12.521 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.000 -11.528 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.410 -10.883 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.913 -11.995 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.713 -10.330 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.180 -10.618 -6.305 1.00 0.00 H new ATOM 808 N TYR A 89 6.605 -8.012 -2.335 1.00 0.00 N ATOM 809 CA TYR A 89 6.242 -8.006 -0.930 1.00 0.00 C ATOM 810 C TYR A 89 5.046 -7.085 -0.682 1.00 0.00 C ATOM 811 O TYR A 89 4.107 -7.442 0.032 1.00 0.00 O ATOM 812 CB TYR A 89 7.435 -7.561 -0.089 1.00 0.00 C ATOM 813 CG TYR A 89 8.592 -8.543 -0.063 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.576 -9.677 -0.863 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.698 -8.335 0.752 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.626 -10.575 -0.848 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.751 -9.227 0.772 1.00 0.00 C ATOM 818 CZ TYR A 89 10.715 -10.338 -0.004 1.00 0.00 C ATOM 819 OH TYR A 89 11.756 -11.242 -0.006 1.00 0.00 O ATOM 0 H TYR A 89 7.546 -7.666 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 89 5.958 -9.018 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.795 -6.606 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.098 -7.390 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.729 -9.860 -1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.734 -7.458 1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.606 -11.450 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.605 -9.040 1.407 1.00 0.00 H new ATOM 0 HH TYR A 89 12.444 -10.950 0.628 1.00 0.00 H new ATOM 829 N PHE A 90 5.081 -5.913 -1.308 1.00 0.00 N ATOM 830 CA PHE A 90 4.005 -4.935 -1.198 1.00 0.00 C ATOM 831 C PHE A 90 2.688 -5.508 -1.713 1.00 0.00 C ATOM 832 O PHE A 90 1.649 -5.381 -1.063 1.00 0.00 O ATOM 833 CB PHE A 90 4.359 -3.676 -2.001 1.00 0.00 C ATOM 834 CG PHE A 90 3.268 -2.642 -2.027 1.00 0.00 C ATOM 835 CD1 PHE A 90 3.118 -1.750 -0.976 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.400 -2.562 -3.100 1.00 0.00 C ATOM 837 CE1 PHE A 90 2.119 -0.797 -0.997 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.398 -1.609 -3.125 1.00 0.00 C ATOM 839 CZ PHE A 90 1.248 -0.738 -2.082 1.00 0.00 C ATOM 0 H PHE A 90 5.853 -5.615 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 90 3.886 -4.681 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.259 -3.229 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.596 -3.965 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.790 -1.801 -0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.505 -3.250 -3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.014 -0.102 -0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.731 -1.553 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.455 -0.005 -2.099 1.00 0.00 H new ATOM 849 N ASN A 91 2.727 -6.077 -2.915 1.00 0.00 N ATOM 850 CA ASN A 91 1.521 -6.590 -3.562 1.00 0.00 C ATOM 851 C ASN A 91 0.852 -7.666 -2.715 1.00 0.00 C ATOM 852 O ASN A 91 -0.363 -7.640 -2.519 1.00 0.00 O ATOM 853 CB ASN A 91 1.836 -7.133 -4.960 1.00 0.00 C ATOM 854 CG ASN A 91 2.205 -6.035 -5.941 1.00 0.00 C ATOM 855 OD1 ASN A 91 1.489 -5.040 -6.079 1.00 0.00 O ATOM 856 ND2 ASN A 91 3.309 -6.213 -6.647 1.00 0.00 N ATOM 0 H ASN A 91 3.580 -6.195 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 91 0.826 -5.757 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.657 -7.846 -4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.971 -7.678 -5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.594 -5.514 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.876 -7.049 -6.505 1.00 0.00 H new ATOM 863 N ASN A 92 1.654 -8.570 -2.161 1.00 0.00 N ATOM 864 CA ASN A 92 1.131 -9.615 -1.280 1.00 0.00 C ATOM 865 C ASN A 92 0.537 -9.009 -0.015 1.00 0.00 C ATOM 866 O ASN A 92 -0.528 -9.424 0.439 1.00 0.00 O ATOM 867 CB ASN A 92 2.216 -10.625 -0.908 1.00 0.00 C ATOM 868 CG ASN A 92 2.463 -11.650 -1.996 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.545 -12.353 -2.423 1.00 0.00 O ATOM 870 ND2 ASN A 92 3.702 -11.752 -2.445 1.00 0.00 N ATOM 0 H ASN A 92 2.663 -8.602 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 92 0.346 -10.138 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.144 -10.093 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.929 -11.138 0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.927 -12.432 -3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.433 -11.151 -2.065 1.00 0.00 H new ATOM 877 N ALA A 93 1.216 -7.998 0.525 1.00 0.00 N ATOM 878 CA ALA A 93 0.751 -7.310 1.724 1.00 0.00 C ATOM 879 C ALA A 93 -0.615 -6.670 1.493 1.00 0.00 C ATOM 880 O ALA A 93 -1.501 -6.752 2.345 1.00 0.00 O ATOM 881 CB ALA A 93 1.761 -6.263 2.165 1.00 0.00 C ATOM 0 H ALA A 93 2.093 -7.638 0.148 1.00 0.00 H new ATOM 0 HA ALA A 93 0.649 -8.050 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.396 -5.760 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.714 -6.745 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.898 -5.531 1.369 1.00 0.00 H new ATOM 887 N ILE A 94 -0.797 -6.079 0.314 1.00 0.00 N ATOM 888 CA ILE A 94 -2.075 -5.478 -0.051 1.00 0.00 C ATOM 889 C ILE A 94 -3.168 -6.541 -0.111 1.00 0.00 C ATOM 890 O ILE A 94 -4.231 -6.385 0.494 1.00 0.00 O ATOM 891 CB ILE A 94 -1.994 -4.758 -1.418 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.028 -3.574 -1.343 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.374 -4.296 -1.870 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.458 -2.498 -0.366 1.00 0.00 C ATOM 0 H ILE A 94 -0.076 -6.004 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.317 -4.743 0.717 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.616 -5.467 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.042 -3.939 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.930 -3.133 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.292 -3.793 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.033 -5.159 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.786 -3.606 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.725 -1.691 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.430 -2.105 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.528 -2.923 0.635 1.00 0.00 H new ATOM 906 N LYS A 95 -2.877 -7.639 -0.806 1.00 0.00 N ATOM 907 CA LYS A 95 -3.821 -8.744 -0.938 1.00 0.00 C ATOM 908 C LYS A 95 -4.206 -9.300 0.427 1.00 0.00 C ATOM 909 O LYS A 95 -5.385 -9.513 0.707 1.00 0.00 O ATOM 910 CB LYS A 95 -3.223 -9.864 -1.787 1.00 0.00 C ATOM 911 CG LYS A 95 -2.964 -9.476 -3.235 1.00 0.00 C ATOM 912 CD LYS A 95 -2.270 -10.597 -3.998 1.00 0.00 C ATOM 913 CE LYS A 95 -3.085 -11.882 -3.987 1.00 0.00 C ATOM 914 NZ LYS A 95 -2.437 -12.960 -4.776 1.00 0.00 N ATOM 0 H LYS A 95 -1.990 -7.786 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.714 -8.356 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.285 -10.186 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.897 -10.720 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.908 -9.233 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.348 -8.577 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.100 -10.284 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.291 -10.784 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.220 -12.217 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.078 -11.685 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.025 -13.817 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.331 -12.652 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.500 -13.167 -4.376 1.00 0.00 H new ATOM 928 N LYS A 96 -3.203 -9.572 1.248 1.00 0.00 N ATOM 929 CA LYS A 96 -3.422 -10.157 2.564 1.00 0.00 C ATOM 930 C LYS A 96 -4.162 -9.183 3.473 1.00 0.00 C ATOM 931 O LYS A 96 -4.983 -9.581 4.300 1.00 0.00 O ATOM 932 CB LYS A 96 -2.088 -10.533 3.203 1.00 0.00 C ATOM 933 CG LYS A 96 -2.227 -11.487 4.372 1.00 0.00 C ATOM 934 CD LYS A 96 -2.262 -12.932 3.904 1.00 0.00 C ATOM 935 CE LYS A 96 -2.422 -13.892 5.071 1.00 0.00 C ATOM 936 NZ LYS A 96 -1.351 -13.715 6.084 1.00 0.00 N ATOM 0 H LYS A 96 -2.223 -9.396 1.025 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.030 -11.053 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.447 -10.987 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.588 -9.626 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.394 -11.346 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.139 -11.259 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.086 -13.069 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.343 -13.163 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.394 -13.736 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.407 -14.918 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.037 -14.647 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.547 -13.213 5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.718 -13.161 6.884 1.00 0.00 H new ATOM 950 N GLY A 97 -3.797 -7.916 3.374 1.00 0.00 N ATOM 951 CA GLY A 97 -4.352 -6.910 4.248 1.00 0.00 C ATOM 952 C GLY A 97 -5.826 -6.652 4.009 1.00 0.00 C ATOM 953 O GLY A 97 -6.585 -6.468 4.961 1.00 0.00 O ATOM 0 H GLY A 97 -3.120 -7.565 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.208 -7.219 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.801 -5.979 4.114 1.00 0.00 H new ATOM 957 N VAL A 98 -6.224 -6.558 2.747 1.00 0.00 N ATOM 958 CA VAL A 98 -7.607 -6.219 2.417 1.00 0.00 C ATOM 959 C VAL A 98 -8.580 -7.300 2.884 1.00 0.00 C ATOM 960 O VAL A 98 -9.652 -6.994 3.408 1.00 0.00 O ATOM 961 CB VAL A 98 -7.805 -5.942 0.908 1.00 0.00 C ATOM 962 CG1 VAL A 98 -7.035 -4.700 0.495 1.00 0.00 C ATOM 963 CG2 VAL A 98 -7.378 -7.128 0.060 1.00 0.00 C ATOM 0 H VAL A 98 -5.618 -6.709 1.941 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.827 -5.297 2.955 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.869 -5.777 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.183 -4.517 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.395 -3.843 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.973 -4.847 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.532 -6.896 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.323 -7.339 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.972 -8.001 0.330 1.00 0.00 H new ATOM 973 N GLU A 99 -8.183 -8.558 2.745 1.00 0.00 N ATOM 974 CA GLU A 99 -9.006 -9.673 3.194 1.00 0.00 C ATOM 975 C GLU A 99 -9.036 -9.764 4.718 1.00 0.00 C ATOM 976 O GLU A 99 -10.071 -10.071 5.309 1.00 0.00 O ATOM 977 CB GLU A 99 -8.496 -10.987 2.606 1.00 0.00 C ATOM 978 CG GLU A 99 -6.987 -11.127 2.659 1.00 0.00 C ATOM 979 CD GLU A 99 -6.525 -12.567 2.569 1.00 0.00 C ATOM 980 OE1 GLU A 99 -7.374 -13.455 2.347 1.00 0.00 O ATOM 981 OE2 GLU A 99 -5.313 -12.821 2.722 1.00 0.00 O ATOM 0 H GLU A 99 -7.295 -8.832 2.324 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.022 -9.494 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.949 -11.818 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.824 -11.064 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.545 -10.557 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.619 -10.690 3.587 1.00 0.00 H new ATOM 988 N ALA A 100 -7.883 -9.549 5.345 1.00 0.00 N ATOM 989 CA ALA A 100 -7.767 -9.652 6.795 1.00 0.00 C ATOM 990 C ALA A 100 -8.552 -8.549 7.485 1.00 0.00 C ATOM 991 O ALA A 100 -9.235 -8.781 8.482 1.00 0.00 O ATOM 992 CB ALA A 100 -6.309 -9.599 7.215 1.00 0.00 C ATOM 0 H ALA A 100 -7.015 -9.302 4.870 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.187 -10.611 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.240 -9.677 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.768 -10.427 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.871 -8.655 6.891 1.00 0.00 H new ATOM 998 N GLY A 101 -8.448 -7.347 6.947 1.00 0.00 N ATOM 999 CA GLY A 101 -9.127 -6.212 7.528 1.00 0.00 C ATOM 1000 C GLY A 101 -8.157 -5.132 7.939 1.00 0.00 C ATOM 1001 O GLY A 101 -8.288 -4.531 9.004 1.00 0.00 O ATOM 0 H GLY A 101 -7.901 -7.136 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.839 -5.807 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.700 -6.536 8.397 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.160 -4.910 7.104 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.143 -3.902 7.364 1.00 0.00 C ATOM 1007 C ASP A 102 -6.257 -2.802 6.328 1.00 0.00 C ATOM 1008 O ASP A 102 -6.137 -1.618 6.644 1.00 0.00 O ATOM 1009 CB ASP A 102 -4.742 -4.520 7.312 1.00 0.00 C ATOM 1010 CG ASP A 102 -3.939 -4.271 8.573 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -4.415 -4.631 9.666 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -2.819 -3.733 8.477 1.00 0.00 O ATOM 0 H ASP A 102 -7.030 -5.419 6.230 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.299 -3.490 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.830 -5.594 7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.202 -4.112 6.457 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.556 -3.205 5.097 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.744 -2.263 4.007 1.00 0.00 C ATOM 1019 C PHE A 103 -8.065 -2.548 3.295 1.00 0.00 C ATOM 1020 O PHE A 103 -8.616 -3.642 3.411 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.585 -2.349 3.001 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.234 -2.539 3.631 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.581 -1.488 4.254 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.614 -3.775 3.588 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.335 -1.673 4.824 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.371 -3.966 4.156 1.00 0.00 C ATOM 1027 CZ PHE A 103 -1.730 -2.913 4.776 1.00 0.00 C ATOM 0 H PHE A 103 -6.673 -4.183 4.832 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.765 -1.257 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.774 -3.176 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.570 -1.438 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.049 -0.516 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.110 -4.603 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.835 -0.847 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.901 -4.937 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.757 -3.059 5.223 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.564 -1.561 2.573 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.813 -1.686 1.836 1.00 0.00 C ATOM 1039 C GLU A 104 -9.597 -1.305 0.380 1.00 0.00 C ATOM 1040 O GLU A 104 -8.839 -0.388 0.091 1.00 0.00 O ATOM 1041 CB GLU A 104 -10.881 -0.772 2.440 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.529 -1.320 3.700 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.442 -2.496 3.419 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -12.524 -2.922 2.251 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -13.074 -3.012 4.367 1.00 0.00 O ATOM 0 H GLU A 104 -8.116 -0.649 2.480 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.148 -2.721 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.430 0.194 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.656 -0.595 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.752 -1.627 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.100 -0.528 4.185 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.287 -1.977 -0.526 1.00 0.00 N ATOM 1053 CA GLN A 105 -10.197 -1.635 -1.940 1.00 0.00 C ATOM 1054 C GLN A 105 -11.580 -1.435 -2.546 1.00 0.00 C ATOM 1055 O GLN A 105 -12.296 -2.399 -2.821 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.442 -2.706 -2.729 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.943 -2.714 -2.485 1.00 0.00 C ATOM 1058 CD GLN A 105 -7.201 -3.574 -3.488 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -7.176 -3.272 -4.681 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -6.604 -4.655 -3.020 1.00 0.00 N ATOM 0 H GLN A 105 -10.911 -2.756 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.642 -0.699 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.847 -3.685 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.625 -2.555 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.564 -1.693 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.743 -3.080 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.648 -4.871 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.099 -5.274 -3.654 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.957 -0.172 -2.802 1.00 0.00 N ATOM 1070 CA PRO A 106 -13.240 0.171 -3.412 1.00 0.00 C ATOM 1071 C PRO A 106 -13.250 -0.044 -4.928 1.00 0.00 C ATOM 1072 O PRO A 106 -13.850 0.739 -5.669 1.00 0.00 O ATOM 1073 CB PRO A 106 -13.382 1.656 -3.085 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.985 2.163 -3.051 1.00 0.00 C ATOM 1075 CD PRO A 106 -11.140 1.030 -2.531 1.00 0.00 C ATOM 0 HA PRO A 106 -14.052 -0.452 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -13.974 2.174 -3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.882 1.806 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.657 2.469 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.904 3.037 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.177 0.983 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.933 1.141 -1.467 1.00 0.00 H new ATOM 1083 N LYS A 107 -12.625 -1.126 -5.375 1.00 0.00 N ATOM 1084 CA LYS A 107 -12.596 -1.485 -6.787 1.00 0.00 C ATOM 1085 C LYS A 107 -12.549 -3.001 -6.959 1.00 0.00 C ATOM 1086 O LYS A 107 -13.431 -3.591 -7.586 1.00 0.00 O ATOM 1087 CB LYS A 107 -11.392 -0.847 -7.492 1.00 0.00 C ATOM 1088 CG LYS A 107 -11.552 0.642 -7.742 1.00 0.00 C ATOM 1089 CD LYS A 107 -10.601 1.126 -8.823 1.00 0.00 C ATOM 1090 CE LYS A 107 -11.027 2.470 -9.396 1.00 0.00 C ATOM 1091 NZ LYS A 107 -10.910 3.576 -8.409 1.00 0.00 N ATOM 0 H LYS A 107 -12.125 -1.778 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.510 -1.105 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.499 -1.012 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.230 -1.351 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.580 0.855 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.365 1.190 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.596 1.210 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.556 0.388 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.414 2.700 -10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.059 2.403 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.212 4.468 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.515 3.374 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.921 3.661 -8.098 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.546 -3.629 -6.361 1.00 0.00 N ATOM 1106 CA GLY A 108 -11.423 -5.068 -6.435 1.00 0.00 C ATOM 1107 C GLY A 108 -10.123 -5.554 -5.835 1.00 0.00 C ATOM 1108 O GLY A 108 -9.659 -5.001 -4.841 1.00 0.00 O ATOM 0 H GLY A 108 -10.814 -3.164 -5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.260 -5.531 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.483 -5.385 -7.476 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.519 -6.606 -6.404 1.00 0.00 N ATOM 1113 CA PRO A 109 -8.275 -7.181 -5.886 1.00 0.00 C ATOM 1114 C PRO A 109 -7.045 -6.314 -6.154 1.00 0.00 C ATOM 1115 O PRO A 109 -6.123 -6.253 -5.333 1.00 0.00 O ATOM 1116 CB PRO A 109 -8.161 -8.509 -6.623 1.00 0.00 C ATOM 1117 CG PRO A 109 -8.930 -8.324 -7.887 1.00 0.00 C ATOM 1118 CD PRO A 109 -10.027 -7.341 -7.577 1.00 0.00 C ATOM 0 HA PRO A 109 -8.308 -7.275 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.120 -8.757 -6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.571 -9.325 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.286 -7.949 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.344 -9.272 -8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.215 -6.673 -8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.967 -7.847 -7.356 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.995 -5.696 -7.326 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.840 -4.900 -7.710 1.00 0.00 C ATOM 1128 C ALA A 110 -6.259 -3.506 -8.155 1.00 0.00 C ATOM 1129 O ALA A 110 -5.676 -2.933 -9.078 1.00 0.00 O ATOM 1130 CB ALA A 110 -5.063 -5.602 -8.813 1.00 0.00 C ATOM 0 H ALA A 110 -7.738 -5.731 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.194 -4.792 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.201 -4.997 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.724 -6.575 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.707 -5.738 -9.682 1.00 0.00 H new ATOM 1136 N GLY A 111 -7.210 -2.933 -7.441 1.00 0.00 N ATOM 1137 CA GLY A 111 -7.623 -1.575 -7.722 1.00 0.00 C ATOM 1138 C GLY A 111 -6.952 -0.577 -6.802 1.00 0.00 C ATOM 1139 O GLY A 111 -5.811 -0.778 -6.382 1.00 0.00 O ATOM 0 H GLY A 111 -7.705 -3.383 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.385 -1.331 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.705 -1.496 -7.616 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.678 0.471 -6.447 1.00 0.00 N ATOM 1144 CA ALA A 112 -7.178 1.470 -5.518 1.00 0.00 C ATOM 1145 C ALA A 112 -7.427 1.027 -4.083 1.00 0.00 C ATOM 1146 O ALA A 112 -8.468 0.449 -3.787 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.837 2.815 -5.780 1.00 0.00 C ATOM 0 H ALA A 112 -8.621 0.652 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.104 1.577 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.452 3.552 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.617 3.136 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.916 2.722 -5.654 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.474 1.288 -3.204 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.609 0.919 -1.802 1.00 0.00 C ATOM 1155 C VAL A 113 -6.919 2.146 -0.955 1.00 0.00 C ATOM 1156 O VAL A 113 -6.512 3.259 -1.286 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.325 0.249 -1.255 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.564 -0.366 0.120 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.809 -0.799 -2.225 1.00 0.00 C ATOM 0 H VAL A 113 -5.597 1.754 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.429 0.204 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.566 1.024 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.644 -0.829 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.873 0.412 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.346 -1.122 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.906 -1.257 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.570 -1.565 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.580 -0.328 -3.181 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.567 1.921 0.170 1.00 0.00 N ATOM 1170 CA LYS A 114 -7.830 2.955 1.149 1.00 0.00 C ATOM 1171 C LYS A 114 -7.846 2.332 2.526 1.00 0.00 C ATOM 1172 O LYS A 114 -8.195 1.161 2.667 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.166 3.637 0.878 1.00 0.00 C ATOM 1174 CG LYS A 114 -9.594 4.595 1.979 1.00 0.00 C ATOM 1175 CD LYS A 114 -11.044 5.021 1.832 1.00 0.00 C ATOM 1176 CE LYS A 114 -11.470 5.918 2.981 1.00 0.00 C ATOM 1177 NZ LYS A 114 -12.848 6.450 2.805 1.00 0.00 N ATOM 0 H LYS A 114 -7.930 1.005 0.433 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.046 3.710 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.101 4.183 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.935 2.875 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.453 4.118 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.954 5.477 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.177 5.547 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.684 4.139 1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.416 5.358 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.771 6.750 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.092 7.056 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.896 7.007 1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.521 5.659 2.749 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.360 3.064 3.516 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.295 2.550 4.868 1.00 0.00 C ATOM 1193 C LEU A 115 -8.646 2.013 5.329 1.00 0.00 C ATOM 1194 O LEU A 115 -9.658 2.718 5.248 1.00 0.00 O ATOM 1195 CB LEU A 115 -6.868 3.661 5.822 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.544 3.445 6.531 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -5.604 2.217 7.421 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.434 3.318 5.518 1.00 0.00 C ATOM 0 H LEU A 115 -7.006 4.014 3.405 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.570 1.736 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.811 4.594 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.646 3.788 6.575 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.342 4.308 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.644 2.082 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.386 2.348 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.825 1.339 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.486 3.163 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.634 2.469 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.378 4.230 4.923 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.633 0.823 5.918 1.00 0.00 N ATOM 1211 CA ALA A 116 -9.834 0.268 6.525 1.00 0.00 C ATOM 1212 C ALA A 116 -10.288 1.163 7.669 1.00 0.00 C ATOM 1213 O ALA A 116 -9.470 1.622 8.466 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.586 -1.144 7.021 1.00 0.00 C ATOM 0 H ALA A 116 -7.808 0.227 5.987 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.620 0.224 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.498 -1.537 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.292 -1.777 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.790 -1.134 7.765 1.00 0.00 H new