USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HE2:sc= 0.564 K(o=3.3,f=-0.99) USER MOD Set 1.2: A 63 ASN : amide:sc= 1.11 K(o=3.3,f=-2.1) USER MOD Set 1.3: A 66 LYS NZ :NH3+ -169:sc= 1.64 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -151:sc= 1.55 (180deg=0.12) USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000865) USER MOD Set 3.2: A 45 SER OG : rot -51:sc= 0.228 USER MOD Single : A 16 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.71) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 20 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.49) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.19) USER MOD Single : A 23 MET CE :methyl 157:sc= -2.33 (180deg=-3.17!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00487 USER MOD Single : A 44 THR OG1 : rot -45:sc= 0.0397 USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.25 (180deg=-0.29) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0046) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 171:sc=-0.00522 (180deg=-0.11) USER MOD Single : A 69 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0.878) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.37) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.795 6.144 7.010 1.00 0.00 N ATOM 112 CA LYS A 9 10.754 7.497 6.429 1.00 0.00 C ATOM 113 C LYS A 9 9.631 7.608 5.389 1.00 0.00 C ATOM 114 O LYS A 9 9.501 6.772 4.494 1.00 0.00 O ATOM 115 CB LYS A 9 12.144 7.879 5.889 1.00 0.00 C ATOM 116 CG LYS A 9 12.236 9.379 5.562 1.00 0.00 C ATOM 117 CD LYS A 9 13.663 9.789 5.163 1.00 0.00 C ATOM 118 CE LYS A 9 13.797 11.318 5.076 1.00 0.00 C ATOM 119 NZ LYS A 9 14.079 11.923 6.400 1.00 0.00 N ATOM 0 HA LYS A 9 10.511 8.226 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.904 7.620 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.358 7.297 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.549 9.617 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.919 9.960 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.374 9.400 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.917 9.343 4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.598 11.574 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.877 11.741 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.694 12.888 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.635 11.350 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.107 11.956 6.555 1.00 0.00 H new ATOM 133 N LEU A 10 8.816 8.647 5.552 1.00 0.00 N ATOM 134 CA LEU A 10 7.546 8.781 4.834 1.00 0.00 C ATOM 135 C LEU A 10 7.518 9.958 3.866 1.00 0.00 C ATOM 136 O LEU A 10 8.120 10.982 4.155 1.00 0.00 O ATOM 137 CB LEU A 10 6.423 8.978 5.864 1.00 0.00 C ATOM 138 CG LEU A 10 5.695 7.692 6.183 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.526 6.642 6.873 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.381 7.924 6.934 1.00 0.00 C ATOM 0 H LEU A 10 9.015 9.421 6.185 1.00 0.00 H new ATOM 0 HA LEU A 10 7.414 7.874 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.844 9.390 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.710 9.710 5.484 1.00 0.00 H new ATOM 0 HG LEU A 10 5.462 7.285 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.915 5.759 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.371 6.372 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.894 7.034 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.903 6.965 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.585 8.433 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.718 8.539 6.326 1.00 0.00 H new ATOM 152 N PHE A 11 6.770 9.822 2.773 1.00 0.00 N ATOM 153 CA PHE A 11 6.451 10.871 1.803 1.00 0.00 C ATOM 154 C PHE A 11 4.997 11.325 2.032 1.00 0.00 C ATOM 155 O PHE A 11 4.073 10.503 2.005 1.00 0.00 O ATOM 156 CB PHE A 11 6.597 10.274 0.386 1.00 0.00 C ATOM 157 CG PHE A 11 6.093 11.057 -0.829 1.00 0.00 C ATOM 158 CD1 PHE A 11 5.979 12.467 -0.860 1.00 0.00 C ATOM 159 CD2 PHE A 11 5.757 10.332 -1.991 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.536 13.123 -2.022 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.329 10.988 -3.158 1.00 0.00 C ATOM 162 CZ PHE A 11 5.228 12.387 -3.177 1.00 0.00 C ATOM 0 H PHE A 11 6.346 8.928 2.525 1.00 0.00 H new ATOM 0 HA PHE A 11 7.118 11.725 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.656 10.074 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.087 9.311 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.234 13.044 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.830 9.254 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.432 14.198 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.078 10.416 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.915 12.896 -4.077 1.00 0.00 H new ATOM 172 N ILE A 12 4.810 12.638 2.249 1.00 0.00 N ATOM 173 CA ILE A 12 3.486 13.228 2.232 1.00 0.00 C ATOM 174 C ILE A 12 3.482 14.067 0.977 1.00 0.00 C ATOM 175 O ILE A 12 4.394 14.867 0.712 1.00 0.00 O ATOM 176 CB ILE A 12 3.186 14.068 3.489 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.285 13.298 4.465 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.424 15.381 3.247 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.742 11.902 4.863 1.00 0.00 C ATOM 0 H ILE A 12 5.564 13.298 2.436 1.00 0.00 H new ATOM 0 HA ILE A 12 2.703 12.470 2.236 1.00 0.00 H new ATOM 0 HB ILE A 12 4.185 14.284 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.180 13.893 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.293 13.217 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.267 15.891 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.005 16.022 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.460 15.163 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.021 11.466 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.816 11.276 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.717 11.962 5.347 1.00 0.00 H new ATOM 191 N GLY A 13 2.415 13.854 0.226 1.00 0.00 N ATOM 192 CA GLY A 13 2.163 14.542 -1.002 1.00 0.00 C ATOM 193 C GLY A 13 1.021 15.500 -0.809 1.00 0.00 C ATOM 194 O GLY A 13 -0.090 15.129 -0.422 1.00 0.00 O ATOM 0 H GLY A 13 1.690 13.179 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.055 15.081 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.924 13.828 -1.790 1.00 0.00 H new ATOM 198 N GLY A 14 1.404 16.736 -1.093 1.00 0.00 N ATOM 199 CA GLY A 14 0.488 17.859 -1.097 1.00 0.00 C ATOM 200 C GLY A 14 1.270 19.104 -0.992 1.00 0.00 C ATOM 201 O GLY A 14 1.930 19.441 -1.969 1.00 0.00 O ATOM 0 H GLY A 14 2.365 16.986 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.105 17.861 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.211 17.780 -0.264 1.00 0.00 H new ATOM 205 N LEU A 15 1.227 19.662 0.205 1.00 0.00 N ATOM 206 CA LEU A 15 1.994 20.869 0.552 1.00 0.00 C ATOM 207 C LEU A 15 1.700 22.147 -0.195 1.00 0.00 C ATOM 208 O LEU A 15 1.627 23.206 0.414 1.00 0.00 O ATOM 209 CB LEU A 15 3.477 20.577 0.329 1.00 0.00 C ATOM 210 CG LEU A 15 4.122 19.419 1.081 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.715 19.437 2.528 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.684 18.082 0.518 1.00 0.00 C ATOM 0 H LEU A 15 0.662 19.299 0.972 1.00 0.00 H new ATOM 0 HA LEU A 15 1.695 21.062 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.621 20.398 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.032 21.481 0.578 1.00 0.00 H new ATOM 0 HG LEU A 15 5.200 19.540 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.185 18.603 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.033 20.375 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.631 19.346 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.162 17.278 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.601 17.989 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.973 18.017 -0.531 1.00 0.00 H new ATOM 224 N ASN A 16 1.393 21.989 -1.462 1.00 0.00 N ATOM 225 CA ASN A 16 0.812 22.840 -2.446 1.00 0.00 C ATOM 226 C ASN A 16 1.226 24.321 -2.439 1.00 0.00 C ATOM 227 O ASN A 16 0.502 25.176 -2.950 1.00 0.00 O ATOM 228 CB ASN A 16 -0.669 22.535 -2.274 1.00 0.00 C ATOM 229 CG ASN A 16 -1.540 23.097 -3.392 1.00 0.00 C ATOM 230 OD1 ASN A 16 -1.224 22.979 -4.568 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.672 23.683 -3.084 1.00 0.00 N ATOM 0 H ASN A 16 1.590 21.084 -1.888 1.00 0.00 H new ATOM 0 HA ASN A 16 1.180 22.634 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.806 21.455 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.007 22.942 -1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.281 24.036 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.944 23.786 -2.106 1.00 0.00 H new ATOM 238 N ARG A 17 2.398 24.623 -1.860 1.00 0.00 N ATOM 239 CA ARG A 17 2.843 25.983 -1.520 1.00 0.00 C ATOM 240 C ARG A 17 1.749 26.721 -0.715 1.00 0.00 C ATOM 241 O ARG A 17 1.431 27.890 -0.929 1.00 0.00 O ATOM 242 CB ARG A 17 3.366 26.695 -2.780 1.00 0.00 C ATOM 243 CG ARG A 17 4.486 25.909 -3.504 1.00 0.00 C ATOM 244 CD ARG A 17 4.054 24.763 -4.451 1.00 0.00 C ATOM 245 NE ARG A 17 3.065 25.227 -5.446 1.00 0.00 N ATOM 246 CZ ARG A 17 1.987 24.603 -5.892 1.00 0.00 C ATOM 247 NH1 ARG A 17 1.733 23.344 -5.681 1.00 0.00 N ATOM 248 NH2 ARG A 17 1.106 25.260 -6.588 1.00 0.00 N ATOM 0 H ARG A 17 3.081 23.908 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 17 3.698 25.963 -0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.537 26.853 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.743 27.680 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.076 26.620 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.147 25.489 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.929 24.365 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.629 23.947 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 17 3.236 26.151 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.386 22.775 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.881 22.926 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.249 26.250 -6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.273 24.785 -6.935 1.00 0.00 H new ATOM 262 N GLU A 18 1.163 25.954 0.205 1.00 0.00 N ATOM 263 CA GLU A 18 -0.030 26.187 1.031 1.00 0.00 C ATOM 264 C GLU A 18 0.318 25.980 2.492 1.00 0.00 C ATOM 265 O GLU A 18 0.242 26.893 3.316 1.00 0.00 O ATOM 266 CB GLU A 18 -1.100 25.150 0.669 1.00 0.00 C ATOM 267 CG GLU A 18 -1.934 25.754 -0.426 1.00 0.00 C ATOM 268 CD GLU A 18 -2.774 27.001 -0.062 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.058 27.245 1.136 1.00 0.00 O ATOM 270 OE2 GLU A 18 -3.167 27.750 -0.990 1.00 0.00 O ATOM 0 H GLU A 18 1.561 25.039 0.417 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.389 27.202 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.640 24.219 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.715 24.910 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.271 26.021 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.612 24.986 -0.799 1.00 0.00 H new ATOM 277 N THR A 19 0.747 24.744 2.751 1.00 0.00 N ATOM 278 CA THR A 19 1.081 24.307 4.134 1.00 0.00 C ATOM 279 C THR A 19 2.541 23.884 4.383 1.00 0.00 C ATOM 280 O THR A 19 3.341 23.865 3.445 1.00 0.00 O ATOM 281 CB THR A 19 0.028 23.351 4.672 1.00 0.00 C ATOM 282 OG1 THR A 19 0.048 23.372 6.076 1.00 0.00 O ATOM 283 CG2 THR A 19 0.210 21.922 4.191 1.00 0.00 C ATOM 0 H THR A 19 0.875 24.025 2.039 1.00 0.00 H new ATOM 0 HA THR A 19 1.035 25.208 4.746 1.00 0.00 H new ATOM 0 HB THR A 19 -0.932 23.696 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.632 22.757 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.575 21.294 4.612 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.152 21.894 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.183 21.551 4.512 1.00 0.00 H new ATOM 291 N ASN A 20 2.907 23.582 5.646 1.00 0.00 N ATOM 292 CA ASN A 20 4.329 23.516 6.061 1.00 0.00 C ATOM 293 C ASN A 20 4.686 22.552 7.217 1.00 0.00 C ATOM 294 O ASN A 20 3.882 21.712 7.604 1.00 0.00 O ATOM 295 CB ASN A 20 4.784 24.975 6.361 1.00 0.00 C ATOM 296 CG ASN A 20 4.936 25.853 5.125 1.00 0.00 C ATOM 297 OD1 ASN A 20 5.837 25.671 4.318 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.099 26.852 4.952 1.00 0.00 N ATOM 0 H ASN A 20 2.244 23.381 6.394 1.00 0.00 H new ATOM 0 HA ASN A 20 4.876 23.066 5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.061 25.437 7.033 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.737 24.944 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.203 27.471 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.346 27.008 5.622 1.00 0.00 H new ATOM 305 N GLU A 21 5.917 22.685 7.744 1.00 0.00 N ATOM 306 CA GLU A 21 6.417 21.851 8.870 1.00 0.00 C ATOM 307 C GLU A 21 5.445 21.653 10.056 1.00 0.00 C ATOM 308 O GLU A 21 5.419 20.585 10.685 1.00 0.00 O ATOM 309 CB GLU A 21 7.781 22.451 9.282 1.00 0.00 C ATOM 310 CG GLU A 21 8.280 22.204 10.718 1.00 0.00 C ATOM 311 CD GLU A 21 7.650 23.134 11.780 1.00 0.00 C ATOM 312 OE1 GLU A 21 7.147 24.230 11.431 1.00 0.00 O ATOM 313 OE2 GLU A 21 7.679 22.783 12.984 1.00 0.00 O ATOM 0 H GLU A 21 6.596 23.368 7.408 1.00 0.00 H new ATOM 0 HA GLU A 21 6.520 20.823 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.535 22.065 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.731 23.529 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.072 21.169 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.363 22.328 10.740 1.00 0.00 H new ATOM 320 N LYS A 22 4.595 22.671 10.256 1.00 0.00 N ATOM 321 CA LYS A 22 3.461 22.580 11.189 1.00 0.00 C ATOM 322 C LYS A 22 2.636 21.359 10.888 1.00 0.00 C ATOM 323 O LYS A 22 2.485 20.453 11.706 1.00 0.00 O ATOM 324 CB LYS A 22 2.528 23.800 11.131 1.00 0.00 C ATOM 325 CG LYS A 22 2.771 24.851 10.052 1.00 0.00 C ATOM 326 CD LYS A 22 4.037 25.726 10.066 1.00 0.00 C ATOM 327 CE LYS A 22 4.259 26.123 11.506 1.00 0.00 C ATOM 328 NZ LYS A 22 5.659 26.523 11.793 1.00 0.00 N ATOM 0 H LYS A 22 4.672 23.571 9.782 1.00 0.00 H new ATOM 0 HA LYS A 22 3.901 22.530 12.185 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.509 23.433 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.576 24.300 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.752 24.334 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.916 25.527 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.894 25.176 9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.909 26.606 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.594 26.950 11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.987 25.289 12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.693 27.048 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.255 25.674 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.012 27.128 11.024 1.00 0.00 H new ATOM 342 N MET A 23 2.096 21.409 9.677 1.00 0.00 N ATOM 343 CA MET A 23 1.343 20.306 9.153 1.00 0.00 C ATOM 344 C MET A 23 2.104 18.996 9.152 1.00 0.00 C ATOM 345 O MET A 23 1.524 17.967 9.436 1.00 0.00 O ATOM 346 CB MET A 23 0.730 20.694 7.857 1.00 0.00 C ATOM 347 CG MET A 23 1.221 19.951 6.664 1.00 0.00 C ATOM 348 SD MET A 23 1.388 18.175 6.378 1.00 0.00 S ATOM 349 CE MET A 23 1.065 18.506 4.659 1.00 0.00 C ATOM 0 H MET A 23 2.173 22.208 9.048 1.00 0.00 H new ATOM 0 HA MET A 23 0.520 20.085 9.833 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.349 20.556 7.930 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.905 21.758 7.697 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.589 20.300 5.847 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.220 20.350 6.487 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.472 17.699 4.050 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.011 18.575 4.498 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.536 19.447 4.375 1.00 0.00 H new ATOM 359 N LEU A 24 3.386 19.006 8.797 1.00 0.00 N ATOM 360 CA LEU A 24 4.169 17.773 8.757 1.00 0.00 C ATOM 361 C LEU A 24 4.103 17.058 10.112 1.00 0.00 C ATOM 362 O LEU A 24 3.530 15.965 10.209 1.00 0.00 O ATOM 363 CB LEU A 24 5.600 18.058 8.311 1.00 0.00 C ATOM 364 CG LEU A 24 5.794 18.058 6.793 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.501 19.398 6.153 1.00 0.00 C ATOM 366 CD2 LEU A 24 7.246 17.695 6.523 1.00 0.00 C ATOM 0 H LEU A 24 3.902 19.846 8.535 1.00 0.00 H new ATOM 0 HA LEU A 24 3.740 17.098 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.906 19.027 8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.262 17.312 8.751 1.00 0.00 H new ATOM 0 HG LEU A 24 5.093 17.344 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.658 19.329 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.466 19.678 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.167 20.153 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.425 17.684 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.898 18.432 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.457 16.708 6.936 1.00 0.00 H new ATOM 378 N LYS A 25 4.567 17.705 11.191 1.00 0.00 N ATOM 379 CA LYS A 25 4.428 17.151 12.543 1.00 0.00 C ATOM 380 C LYS A 25 2.987 16.818 12.900 1.00 0.00 C ATOM 381 O LYS A 25 2.761 15.789 13.526 1.00 0.00 O ATOM 382 CB LYS A 25 5.020 18.109 13.571 1.00 0.00 C ATOM 383 CG LYS A 25 6.552 18.213 13.410 1.00 0.00 C ATOM 384 CD LYS A 25 7.324 17.790 14.664 1.00 0.00 C ATOM 385 CE LYS A 25 7.397 16.263 14.858 1.00 0.00 C ATOM 386 NZ LYS A 25 7.963 15.910 16.190 1.00 0.00 N ATOM 0 H LYS A 25 5.039 18.608 11.153 1.00 0.00 H new ATOM 0 HA LYS A 25 4.982 16.212 12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.571 19.095 13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.779 17.764 14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.865 17.590 12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.815 19.241 13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.337 18.190 14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.852 18.237 15.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.400 15.834 14.760 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.012 15.824 14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.999 14.875 16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.924 16.299 16.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.362 16.309 16.939 1.00 0.00 H new ATOM 400 N ALA A 26 2.035 17.643 12.475 1.00 0.00 N ATOM 401 CA ALA A 26 0.618 17.345 12.630 1.00 0.00 C ATOM 402 C ALA A 26 0.215 15.972 12.012 1.00 0.00 C ATOM 403 O ALA A 26 0.036 14.959 12.701 1.00 0.00 O ATOM 404 CB ALA A 26 -0.156 18.555 12.045 1.00 0.00 C ATOM 0 H ALA A 26 2.225 18.534 12.015 1.00 0.00 H new ATOM 0 HA ALA A 26 0.361 17.221 13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.228 18.380 12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.113 19.458 12.593 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.102 18.678 10.993 1.00 0.00 H new ATOM 410 N VAL A 27 0.150 15.964 10.678 1.00 0.00 N ATOM 411 CA VAL A 27 -0.351 14.822 9.901 1.00 0.00 C ATOM 412 C VAL A 27 0.389 13.558 10.256 1.00 0.00 C ATOM 413 O VAL A 27 -0.204 12.567 10.664 1.00 0.00 O ATOM 414 CB VAL A 27 -0.138 15.119 8.395 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.353 13.985 7.397 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.047 16.216 7.930 1.00 0.00 C ATOM 0 H VAL A 27 0.444 16.752 10.102 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.408 14.680 10.127 1.00 0.00 H new ATOM 0 HB VAL A 27 0.924 15.363 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.166 14.349 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.333 13.168 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.380 13.627 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.877 16.404 6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.084 15.919 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.842 17.124 8.497 1.00 0.00 H new ATOM 426 N PHE A 28 1.698 13.568 10.054 1.00 0.00 N ATOM 427 CA PHE A 28 2.520 12.445 10.436 1.00 0.00 C ATOM 428 C PHE A 28 2.486 12.086 11.919 1.00 0.00 C ATOM 429 O PHE A 28 2.287 10.925 12.280 1.00 0.00 O ATOM 430 CB PHE A 28 3.924 12.719 9.931 1.00 0.00 C ATOM 431 CG PHE A 28 4.200 12.860 8.434 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.940 14.075 7.767 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.973 11.887 7.776 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.577 14.381 6.557 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.607 12.197 6.558 1.00 0.00 C ATOM 436 CZ PHE A 28 5.457 13.462 5.977 1.00 0.00 C ATOM 0 H PHE A 28 2.207 14.343 9.628 1.00 0.00 H new ATOM 0 HA PHE A 28 2.107 11.549 9.973 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.263 13.639 10.408 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.561 11.915 10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.241 14.779 8.194 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.080 10.902 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.388 15.327 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.215 11.452 6.067 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.015 13.725 5.090 1.00 0.00 H new ATOM 446 N GLY A 29 2.734 13.064 12.789 1.00 0.00 N ATOM 447 CA GLY A 29 2.628 12.834 14.225 1.00 0.00 C ATOM 448 C GLY A 29 1.303 12.305 14.719 1.00 0.00 C ATOM 449 O GLY A 29 1.255 11.857 15.867 1.00 0.00 O ATOM 0 H GLY A 29 3.006 14.011 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.408 12.131 14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.835 13.773 14.739 1.00 0.00 H new ATOM 453 N LYS A 30 0.237 12.366 13.902 1.00 0.00 N ATOM 454 CA LYS A 30 -1.086 11.854 14.317 1.00 0.00 C ATOM 455 C LYS A 30 -0.997 10.475 14.992 1.00 0.00 C ATOM 456 O LYS A 30 -1.611 10.266 16.042 1.00 0.00 O ATOM 457 CB LYS A 30 -2.056 11.783 13.141 1.00 0.00 C ATOM 458 CG LYS A 30 -2.588 13.169 12.748 1.00 0.00 C ATOM 459 CD LYS A 30 -4.078 13.321 13.027 1.00 0.00 C ATOM 460 CE LYS A 30 -4.494 14.713 12.537 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.786 15.153 13.129 1.00 0.00 N ATOM 0 H LYS A 30 0.261 12.759 12.961 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.465 12.567 15.049 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.555 11.331 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.892 11.134 13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.039 13.935 13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.401 13.340 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.646 12.547 12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.283 13.211 14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.716 15.433 12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.578 14.704 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.028 16.099 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.535 14.481 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.699 15.188 14.165 1.00 0.00 H new ATOM 475 N HIS A 31 -0.161 9.596 14.423 1.00 0.00 N ATOM 476 CA HIS A 31 0.076 8.259 14.995 1.00 0.00 C ATOM 477 C HIS A 31 1.556 7.850 15.250 1.00 0.00 C ATOM 478 O HIS A 31 1.814 6.649 15.385 1.00 0.00 O ATOM 479 CB HIS A 31 -0.679 7.219 14.134 1.00 0.00 C ATOM 480 CG HIS A 31 -1.586 6.260 14.875 1.00 0.00 C ATOM 481 ND1 HIS A 31 -1.725 6.091 16.238 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.444 5.372 14.284 1.00 0.00 C ATOM 483 CE1 HIS A 31 -2.644 5.134 16.455 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.109 4.655 15.287 1.00 0.00 N ATOM 0 H HIS A 31 0.363 9.784 13.568 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.317 8.295 16.011 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.278 7.755 13.398 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.057 6.635 13.581 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -1.217 6.605 16.958 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.585 5.245 13.221 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.964 4.797 17.430 1.00 0.00 H new ATOM 492 N GLY A 32 2.544 8.761 15.358 1.00 0.00 N ATOM 493 CA GLY A 32 3.916 8.375 15.684 1.00 0.00 C ATOM 494 C GLY A 32 4.757 9.487 16.337 1.00 0.00 C ATOM 495 O GLY A 32 4.283 10.611 16.509 1.00 0.00 O ATOM 0 H GLY A 32 2.410 9.763 15.223 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.888 7.517 16.356 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.414 8.049 14.771 1.00 0.00 H new ATOM 499 N PRO A 33 6.012 9.170 16.710 1.00 0.00 N ATOM 500 CA PRO A 33 6.943 10.058 17.398 1.00 0.00 C ATOM 501 C PRO A 33 7.498 11.209 16.524 1.00 0.00 C ATOM 502 O PRO A 33 7.183 12.371 16.785 1.00 0.00 O ATOM 503 CB PRO A 33 8.051 9.123 17.923 1.00 0.00 C ATOM 504 CG PRO A 33 8.027 7.921 16.974 1.00 0.00 C ATOM 505 CD PRO A 33 6.544 7.829 16.633 1.00 0.00 C ATOM 0 HA PRO A 33 6.438 10.600 18.198 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.023 9.616 17.913 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.858 8.819 18.952 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.641 8.085 16.089 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.394 7.013 17.453 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.402 7.414 15.635 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.028 7.168 17.329 1.00 0.00 H new ATOM 513 N ILE A 34 8.369 10.884 15.549 1.00 0.00 N ATOM 514 CA ILE A 34 8.933 11.880 14.611 1.00 0.00 C ATOM 515 C ILE A 34 10.241 12.498 15.131 1.00 0.00 C ATOM 516 O ILE A 34 10.222 13.333 16.039 1.00 0.00 O ATOM 517 CB ILE A 34 7.970 12.852 13.890 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.957 12.163 12.974 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.832 13.760 12.990 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.773 11.656 13.774 1.00 0.00 C ATOM 0 H ILE A 34 8.700 9.933 15.388 1.00 0.00 H new ATOM 0 HA ILE A 34 9.194 11.269 13.747 1.00 0.00 H new ATOM 0 HB ILE A 34 7.410 13.380 14.662 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.615 12.862 12.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.434 11.332 12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.189 14.464 12.461 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.544 14.311 13.604 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.373 13.149 12.267 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.064 11.169 13.105 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.118 10.940 14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.285 12.494 14.273 1.00 0.00 H new ATOM 532 N SER A 35 11.366 12.072 14.560 1.00 0.00 N ATOM 533 CA SER A 35 12.718 12.543 14.853 1.00 0.00 C ATOM 534 C SER A 35 13.336 13.333 13.701 1.00 0.00 C ATOM 535 O SER A 35 14.354 13.996 13.913 1.00 0.00 O ATOM 536 CB SER A 35 13.626 11.351 15.147 1.00 0.00 C ATOM 537 OG SER A 35 13.422 10.301 14.206 1.00 0.00 O ATOM 0 H SER A 35 11.358 11.349 13.841 1.00 0.00 H new ATOM 0 HA SER A 35 12.634 13.205 15.715 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.668 11.669 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.432 10.983 16.154 1.00 0.00 H new ATOM 0 HG SER A 35 14.017 9.552 14.418 1.00 0.00 H new ATOM 543 N GLU A 36 12.743 13.314 12.501 1.00 0.00 N ATOM 544 CA GLU A 36 13.276 14.074 11.361 1.00 0.00 C ATOM 545 C GLU A 36 12.153 14.639 10.496 1.00 0.00 C ATOM 546 O GLU A 36 11.207 13.921 10.181 1.00 0.00 O ATOM 547 CB GLU A 36 14.244 13.192 10.549 1.00 0.00 C ATOM 548 CG GLU A 36 15.374 13.964 9.850 1.00 0.00 C ATOM 549 CD GLU A 36 15.045 14.525 8.447 1.00 0.00 C ATOM 550 OE1 GLU A 36 13.971 14.217 7.879 1.00 0.00 O ATOM 551 OE2 GLU A 36 15.918 15.205 7.864 1.00 0.00 O ATOM 0 H GLU A 36 11.897 12.783 12.293 1.00 0.00 H new ATOM 0 HA GLU A 36 13.835 14.929 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.685 12.450 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.674 12.646 9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.671 14.794 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.238 13.305 9.763 1.00 0.00 H new ATOM 558 N VAL A 37 12.251 15.923 10.135 1.00 0.00 N ATOM 559 CA VAL A 37 11.198 16.687 9.447 1.00 0.00 C ATOM 560 C VAL A 37 11.793 17.412 8.242 1.00 0.00 C ATOM 561 O VAL A 37 12.702 18.227 8.394 1.00 0.00 O ATOM 562 CB VAL A 37 10.524 17.698 10.402 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.351 18.404 9.710 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.971 17.044 11.674 1.00 0.00 C ATOM 0 H VAL A 37 13.088 16.477 10.317 1.00 0.00 H new ATOM 0 HA VAL A 37 10.432 15.989 9.108 1.00 0.00 H new ATOM 0 HB VAL A 37 11.308 18.404 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.892 19.111 10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.715 18.939 8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.611 17.665 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.510 17.805 12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.225 16.296 11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.784 16.565 12.220 1.00 0.00 H new ATOM 574 N LEU A 38 11.287 17.106 7.048 1.00 0.00 N ATOM 575 CA LEU A 38 11.823 17.550 5.763 1.00 0.00 C ATOM 576 C LEU A 38 10.727 18.038 4.808 1.00 0.00 C ATOM 577 O LEU A 38 9.712 17.373 4.634 1.00 0.00 O ATOM 578 CB LEU A 38 12.557 16.381 5.097 1.00 0.00 C ATOM 579 CG LEU A 38 13.450 16.786 3.923 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.676 17.541 4.378 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.988 15.569 3.201 1.00 0.00 C ATOM 0 H LEU A 38 10.459 16.519 6.946 1.00 0.00 H new ATOM 0 HA LEU A 38 12.495 18.385 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.168 15.877 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.821 15.658 4.746 1.00 0.00 H new ATOM 0 HG LEU A 38 12.818 17.401 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.281 17.808 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.372 18.447 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.262 16.913 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.619 15.888 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.575 14.966 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.157 14.976 2.818 1.00 0.00 H new ATOM 593 N LEU A 39 10.952 19.164 4.139 1.00 0.00 N ATOM 594 CA LEU A 39 10.132 19.632 3.016 1.00 0.00 C ATOM 595 C LEU A 39 11.037 19.938 1.823 1.00 0.00 C ATOM 596 O LEU A 39 12.113 20.516 2.001 1.00 0.00 O ATOM 597 CB LEU A 39 9.104 20.723 3.372 1.00 0.00 C ATOM 598 CG LEU A 39 9.593 22.180 3.350 1.00 0.00 C ATOM 599 CD1 LEU A 39 8.380 23.109 3.316 1.00 0.00 C ATOM 600 CD2 LEU A 39 10.439 22.512 4.578 1.00 0.00 C ATOM 0 H LEU A 39 11.723 19.793 4.363 1.00 0.00 H new ATOM 0 HA LEU A 39 9.467 18.821 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.266 20.637 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.717 20.511 4.369 1.00 0.00 H new ATOM 0 HG LEU A 39 10.214 22.317 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.716 24.146 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.790 22.905 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.767 22.940 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.765 23.551 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.845 22.364 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.311 21.859 4.607 1.00 0.00 H new ATOM 612 N ILE A 40 10.636 19.523 0.622 1.00 0.00 N ATOM 613 CA ILE A 40 11.539 19.476 -0.515 1.00 0.00 C ATOM 614 C ILE A 40 11.223 20.654 -1.422 1.00 0.00 C ATOM 615 O ILE A 40 10.042 20.882 -1.736 1.00 0.00 O ATOM 616 CB ILE A 40 11.331 18.175 -1.316 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.602 16.866 -0.536 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.220 18.272 -2.569 1.00 0.00 C ATOM 619 CD1 ILE A 40 12.834 16.911 0.352 1.00 0.00 C ATOM 0 H ILE A 40 9.686 19.214 0.416 1.00 0.00 H new ATOM 0 HA ILE A 40 12.568 19.515 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 40 10.273 18.102 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.732 16.637 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.712 16.048 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.104 17.369 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.924 19.139 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.262 18.377 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.950 15.955 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.716 17.106 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.721 17.704 1.091 1.00 0.00 H new ATOM 631 N LYS A 41 12.366 21.289 -1.760 1.00 0.00 N ATOM 632 CA LYS A 41 12.418 22.565 -2.494 1.00 0.00 C ATOM 633 C LYS A 41 13.454 22.404 -3.648 1.00 0.00 C ATOM 634 O LYS A 41 13.615 21.326 -4.217 1.00 0.00 O ATOM 635 CB LYS A 41 12.857 23.661 -1.481 1.00 0.00 C ATOM 636 CG LYS A 41 11.860 23.972 -0.354 1.00 0.00 C ATOM 637 CD LYS A 41 12.528 24.741 0.795 1.00 0.00 C ATOM 638 CE LYS A 41 11.505 25.204 1.843 1.00 0.00 C ATOM 639 NZ LYS A 41 10.699 26.364 1.362 1.00 0.00 N ATOM 0 H LYS A 41 13.289 20.922 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 41 11.457 22.844 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.801 23.355 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.051 24.581 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.032 24.558 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.438 23.042 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.274 24.106 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.055 25.607 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.839 24.377 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.025 25.479 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.033 26.656 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.333 27.157 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.169 26.089 0.511 1.00 0.00 H new ATOM 653 N ASP A 42 14.175 23.469 -3.977 1.00 0.00 N ATOM 654 CA ASP A 42 15.070 23.704 -5.122 1.00 0.00 C ATOM 655 C ASP A 42 15.966 24.900 -4.736 1.00 0.00 C ATOM 656 O ASP A 42 15.487 25.765 -4.011 1.00 0.00 O ATOM 657 CB ASP A 42 14.262 23.983 -6.409 1.00 0.00 C ATOM 658 CG ASP A 42 12.974 24.847 -6.332 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.373 25.015 -5.245 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.583 25.407 -7.383 1.00 0.00 O ATOM 0 H ASP A 42 14.148 24.294 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 42 15.678 22.825 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.935 24.463 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.984 23.019 -6.835 1.00 0.00 H new ATOM 665 N ARG A 43 17.250 24.996 -5.131 1.00 0.00 N ATOM 666 CA ARG A 43 18.225 26.051 -4.688 1.00 0.00 C ATOM 667 C ARG A 43 18.360 26.257 -3.174 1.00 0.00 C ATOM 668 O ARG A 43 18.941 27.255 -2.789 1.00 0.00 O ATOM 669 CB ARG A 43 17.854 27.392 -5.378 1.00 0.00 C ATOM 670 CG ARG A 43 18.695 28.693 -5.220 1.00 0.00 C ATOM 671 CD ARG A 43 17.942 29.896 -4.589 1.00 0.00 C ATOM 672 NE ARG A 43 18.014 29.823 -3.123 1.00 0.00 N ATOM 673 CZ ARG A 43 17.555 30.679 -2.236 1.00 0.00 C ATOM 674 NH1 ARG A 43 16.826 31.708 -2.545 1.00 0.00 N ATOM 675 NH2 ARG A 43 17.822 30.533 -0.978 1.00 0.00 N ATOM 0 H ARG A 43 17.664 24.331 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 43 19.206 25.688 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.804 27.185 -6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.843 27.637 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.568 28.470 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.063 28.990 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.380 30.832 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.901 29.892 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 43 18.482 29.000 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.581 31.886 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.498 32.339 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.394 29.748 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.461 31.203 -0.299 1.00 0.00 H new ATOM 689 N THR A 44 17.775 25.421 -2.310 1.00 0.00 N ATOM 690 CA THR A 44 17.660 25.787 -0.873 1.00 0.00 C ATOM 691 C THR A 44 16.677 26.964 -0.642 1.00 0.00 C ATOM 692 O THR A 44 16.638 27.547 0.440 1.00 0.00 O ATOM 693 CB THR A 44 19.004 25.795 -0.097 1.00 0.00 C ATOM 694 OG1 THR A 44 18.758 25.548 1.273 1.00 0.00 O ATOM 695 CG2 THR A 44 19.890 27.041 -0.214 1.00 0.00 C ATOM 0 H THR A 44 17.382 24.513 -2.557 1.00 0.00 H new ATOM 0 HA THR A 44 17.165 24.959 -0.366 1.00 0.00 H new ATOM 0 HB THR A 44 19.579 25.008 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.999 26.092 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.793 26.902 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.163 27.197 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.345 27.911 0.152 1.00 0.00 H new ATOM 703 N SER A 45 15.932 27.256 -1.735 1.00 0.00 N ATOM 704 CA SER A 45 14.680 28.040 -1.699 1.00 0.00 C ATOM 705 C SER A 45 14.265 28.844 -2.967 1.00 0.00 C ATOM 706 O SER A 45 13.691 29.931 -2.859 1.00 0.00 O ATOM 707 CB SER A 45 14.236 28.642 -0.352 1.00 0.00 C ATOM 708 OG SER A 45 12.847 28.933 -0.342 1.00 0.00 O ATOM 0 H SER A 45 16.188 26.950 -2.674 1.00 0.00 H new ATOM 0 HA SER A 45 14.013 27.182 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.468 27.945 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.801 29.554 -0.156 1.00 0.00 H new ATOM 0 HG SER A 45 12.618 29.463 -1.134 1.00 0.00 H new ATOM 714 N LYS A 46 14.547 28.324 -4.182 1.00 0.00 N ATOM 715 CA LYS A 46 13.806 28.739 -5.418 1.00 0.00 C ATOM 716 C LYS A 46 12.272 28.620 -5.088 1.00 0.00 C ATOM 717 O LYS A 46 11.510 29.530 -5.419 1.00 0.00 O ATOM 718 CB LYS A 46 14.222 27.886 -6.634 1.00 0.00 C ATOM 719 CG LYS A 46 15.395 28.375 -7.520 1.00 0.00 C ATOM 720 CD LYS A 46 15.933 27.191 -8.359 1.00 0.00 C ATOM 721 CE LYS A 46 17.056 27.442 -9.399 1.00 0.00 C ATOM 722 NZ LYS A 46 18.461 27.356 -8.914 1.00 0.00 N ATOM 0 H LYS A 46 15.271 27.624 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 46 14.045 29.765 -5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.477 26.891 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.347 27.776 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.059 29.178 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.190 28.784 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.295 26.435 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.087 26.756 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.933 26.723 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.906 28.433 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.107 27.306 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.684 28.198 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.575 26.504 -8.329 1.00 0.00 H new ATOM 736 N SER A 47 11.909 27.551 -4.331 1.00 0.00 N ATOM 737 CA SER A 47 10.621 27.470 -3.599 1.00 0.00 C ATOM 738 C SER A 47 9.445 26.703 -4.230 1.00 0.00 C ATOM 739 O SER A 47 8.627 27.256 -4.969 1.00 0.00 O ATOM 740 CB SER A 47 10.174 28.786 -2.948 1.00 0.00 C ATOM 741 OG SER A 47 9.333 28.493 -1.843 1.00 0.00 O ATOM 0 H SER A 47 12.498 26.727 -4.213 1.00 0.00 H new ATOM 0 HA SER A 47 10.930 26.787 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.042 29.357 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.642 29.403 -3.673 1.00 0.00 H new ATOM 0 HG SER A 47 9.045 29.329 -1.421 1.00 0.00 H new ATOM 747 N ARG A 48 9.386 25.398 -3.899 1.00 0.00 N ATOM 748 CA ARG A 48 8.387 24.358 -4.154 1.00 0.00 C ATOM 749 C ARG A 48 8.360 23.468 -2.895 1.00 0.00 C ATOM 750 O ARG A 48 9.214 23.611 -2.025 1.00 0.00 O ATOM 751 CB ARG A 48 8.836 23.677 -5.458 1.00 0.00 C ATOM 752 CG ARG A 48 8.203 22.362 -5.922 1.00 0.00 C ATOM 753 CD ARG A 48 8.837 21.032 -5.481 1.00 0.00 C ATOM 754 NE ARG A 48 8.289 19.884 -6.246 1.00 0.00 N ATOM 755 CZ ARG A 48 8.384 19.645 -7.543 1.00 0.00 C ATOM 756 NH1 ARG A 48 9.063 20.399 -8.352 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.797 18.618 -8.065 1.00 0.00 N ATOM 0 H ARG A 48 10.159 24.998 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 48 7.360 24.690 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.693 24.400 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.909 23.502 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.166 22.360 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.185 22.372 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.917 21.080 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.659 20.879 -4.417 1.00 0.00 H new ATOM 0 HE ARG A 48 7.774 19.192 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.554 21.218 -7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.106 20.172 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.256 17.986 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.875 18.440 -9.066 1.00 0.00 H new ATOM 771 N GLY A 49 7.314 22.669 -2.728 1.00 0.00 N ATOM 772 CA GLY A 49 7.010 21.916 -1.490 1.00 0.00 C ATOM 773 C GLY A 49 6.578 20.444 -1.622 1.00 0.00 C ATOM 774 O GLY A 49 5.509 20.185 -2.160 1.00 0.00 O ATOM 0 H GLY A 49 6.626 22.514 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.895 21.948 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.220 22.449 -0.962 1.00 0.00 H new ATOM 778 N PHE A 50 7.405 19.482 -1.192 1.00 0.00 N ATOM 779 CA PHE A 50 6.943 18.066 -0.954 1.00 0.00 C ATOM 780 C PHE A 50 7.520 17.428 0.320 1.00 0.00 C ATOM 781 O PHE A 50 8.669 17.693 0.621 1.00 0.00 O ATOM 782 CB PHE A 50 6.859 17.206 -2.191 1.00 0.00 C ATOM 783 CG PHE A 50 8.111 16.806 -2.870 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.744 17.725 -3.715 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.552 15.488 -2.759 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.877 17.337 -4.440 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.746 15.130 -3.406 1.00 0.00 C ATOM 788 CZ PHE A 50 10.397 16.046 -4.252 1.00 0.00 C ATOM 0 H PHE A 50 8.394 19.635 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 50 5.885 18.144 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.324 16.295 -1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.244 17.735 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.360 18.730 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.990 14.762 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.344 18.020 -5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.166 14.147 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.304 15.754 -4.761 1.00 0.00 H new ATOM 798 N ALA A 51 6.796 16.665 1.140 1.00 0.00 N ATOM 799 CA ALA A 51 7.249 16.350 2.506 1.00 0.00 C ATOM 800 C ALA A 51 7.787 14.965 2.742 1.00 0.00 C ATOM 801 O ALA A 51 7.229 13.979 2.284 1.00 0.00 O ATOM 802 CB ALA A 51 6.114 16.667 3.468 1.00 0.00 C ATOM 0 H ALA A 51 5.897 16.253 0.889 1.00 0.00 H new ATOM 0 HA ALA A 51 8.124 16.977 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.427 16.441 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.858 17.724 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.243 16.063 3.214 1.00 0.00 H new ATOM 808 N PHE A 52 8.902 14.935 3.468 1.00 0.00 N ATOM 809 CA PHE A 52 9.482 13.729 3.996 1.00 0.00 C ATOM 810 C PHE A 52 9.512 13.726 5.546 1.00 0.00 C ATOM 811 O PHE A 52 9.899 14.746 6.117 1.00 0.00 O ATOM 812 CB PHE A 52 10.824 13.482 3.380 1.00 0.00 C ATOM 813 CG PHE A 52 10.693 12.994 1.969 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.334 11.673 1.658 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.800 13.956 0.974 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.052 11.335 0.322 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.492 13.625 -0.352 1.00 0.00 C ATOM 818 CZ PHE A 52 10.103 12.319 -0.679 1.00 0.00 C ATOM 0 H PHE A 52 9.430 15.775 3.704 1.00 0.00 H new ATOM 0 HA PHE A 52 8.842 12.891 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.409 14.402 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.369 12.747 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.275 10.925 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.120 14.957 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.796 10.318 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.554 14.378 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.843 12.070 -1.697 1.00 0.00 H new ATOM 828 N ILE A 53 9.147 12.653 6.273 1.00 0.00 N ATOM 829 CA ILE A 53 9.356 12.631 7.750 1.00 0.00 C ATOM 830 C ILE A 53 9.944 11.290 8.205 1.00 0.00 C ATOM 831 O ILE A 53 9.473 10.250 7.752 1.00 0.00 O ATOM 832 CB ILE A 53 8.087 13.074 8.534 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.159 14.471 9.182 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.631 12.027 9.561 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.819 15.019 9.699 1.00 0.00 C ATOM 0 H ILE A 53 8.719 11.812 5.887 1.00 0.00 H new ATOM 0 HA ILE A 53 10.105 13.384 7.998 1.00 0.00 H new ATOM 0 HB ILE A 53 7.332 13.154 7.752 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.863 14.433 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.564 15.173 8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.742 12.388 10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.399 11.093 9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.428 11.856 10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.974 16.005 10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.114 15.096 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.418 14.345 10.456 1.00 0.00 H new ATOM 847 N THR A 54 10.948 11.292 9.089 1.00 0.00 N ATOM 848 CA THR A 54 11.463 10.052 9.700 1.00 0.00 C ATOM 849 C THR A 54 10.963 9.945 11.133 1.00 0.00 C ATOM 850 O THR A 54 11.022 10.900 11.924 1.00 0.00 O ATOM 851 CB THR A 54 12.996 9.937 9.762 1.00 0.00 C ATOM 852 OG1 THR A 54 13.585 10.240 8.524 1.00 0.00 O ATOM 853 CG2 THR A 54 13.480 8.523 10.088 1.00 0.00 C ATOM 0 H THR A 54 11.424 12.139 9.401 1.00 0.00 H new ATOM 0 HA THR A 54 11.098 9.256 9.050 1.00 0.00 H new ATOM 0 HB THR A 54 13.284 10.638 10.546 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.559 10.160 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.570 8.509 10.117 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.087 8.219 11.058 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.129 7.832 9.321 1.00 0.00 H new ATOM 861 N PHE A 55 10.517 8.726 11.435 1.00 0.00 N ATOM 862 CA PHE A 55 9.997 8.262 12.709 1.00 0.00 C ATOM 863 C PHE A 55 11.060 7.396 13.389 1.00 0.00 C ATOM 864 O PHE A 55 11.646 6.508 12.767 1.00 0.00 O ATOM 865 CB PHE A 55 8.771 7.365 12.459 1.00 0.00 C ATOM 866 CG PHE A 55 7.557 8.050 11.873 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.433 8.229 10.487 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.519 8.473 12.716 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.302 8.866 9.960 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.362 9.059 12.183 1.00 0.00 C ATOM 871 CZ PHE A 55 5.256 9.269 10.802 1.00 0.00 C ATOM 0 H PHE A 55 10.512 7.983 10.736 1.00 0.00 H new ATOM 0 HA PHE A 55 9.732 9.121 13.326 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.067 6.558 11.789 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.483 6.905 13.404 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.210 7.875 9.826 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.612 8.346 13.785 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.235 9.048 8.898 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.553 9.348 12.837 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.375 9.738 10.389 1.00 0.00 H new ATOM 881 N GLU A 56 11.258 7.640 14.687 1.00 0.00 N ATOM 882 CA GLU A 56 12.109 6.781 15.529 1.00 0.00 C ATOM 883 C GLU A 56 11.920 5.250 15.358 1.00 0.00 C ATOM 884 O GLU A 56 12.895 4.515 15.531 1.00 0.00 O ATOM 885 CB GLU A 56 11.937 7.199 17.000 1.00 0.00 C ATOM 886 CG GLU A 56 12.246 8.687 17.236 1.00 0.00 C ATOM 887 CD GLU A 56 12.389 8.993 18.740 1.00 0.00 C ATOM 888 OE1 GLU A 56 11.374 9.315 19.401 1.00 0.00 O ATOM 889 OE2 GLU A 56 13.525 8.919 19.272 1.00 0.00 O ATOM 0 H GLU A 56 10.841 8.427 15.183 1.00 0.00 H new ATOM 0 HA GLU A 56 13.130 6.947 15.184 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.915 6.990 17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.593 6.593 17.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.166 8.957 16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.450 9.299 16.811 1.00 0.00 H new ATOM 896 N ASN A 57 10.727 4.766 14.961 1.00 0.00 N ATOM 897 CA ASN A 57 10.546 3.360 14.545 1.00 0.00 C ATOM 898 C ASN A 57 9.715 3.250 13.243 1.00 0.00 C ATOM 899 O ASN A 57 8.798 4.048 13.020 1.00 0.00 O ATOM 900 CB ASN A 57 9.857 2.539 15.652 1.00 0.00 C ATOM 901 CG ASN A 57 10.341 2.810 17.066 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.402 2.371 17.487 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.561 3.510 17.856 1.00 0.00 N ATOM 0 H ASN A 57 9.876 5.326 14.919 1.00 0.00 H new ATOM 0 HA ASN A 57 11.542 2.958 14.361 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.785 2.733 15.610 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.998 1.480 15.435 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.840 3.688 18.821 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.676 3.876 17.505 1.00 0.00 H new ATOM 910 N PRO A 58 9.951 2.205 12.424 1.00 0.00 N ATOM 911 CA PRO A 58 9.195 1.926 11.195 1.00 0.00 C ATOM 912 C PRO A 58 7.731 1.564 11.480 1.00 0.00 C ATOM 913 O PRO A 58 6.829 1.938 10.726 1.00 0.00 O ATOM 914 CB PRO A 58 9.941 0.775 10.516 1.00 0.00 C ATOM 915 CG PRO A 58 10.585 0.049 11.697 1.00 0.00 C ATOM 916 CD PRO A 58 10.956 1.179 12.641 1.00 0.00 C ATOM 0 HA PRO A 58 9.142 2.808 10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.264 0.125 9.961 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.686 1.137 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.894 -0.654 12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.461 -0.522 11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.956 0.842 13.677 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.956 1.557 12.428 1.00 0.00 H new ATOM 924 N ALA A 59 7.507 0.899 12.617 1.00 0.00 N ATOM 925 CA ALA A 59 6.169 0.696 13.157 1.00 0.00 C ATOM 926 C ALA A 59 5.305 1.951 13.074 1.00 0.00 C ATOM 927 O ALA A 59 4.236 1.974 12.471 1.00 0.00 O ATOM 928 CB ALA A 59 6.354 0.346 14.643 1.00 0.00 C ATOM 0 H ALA A 59 8.249 0.489 13.184 1.00 0.00 H new ATOM 0 HA ALA A 59 5.668 -0.083 12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.379 0.182 15.102 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.954 -0.560 14.732 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.860 1.167 15.150 1.00 0.00 H new ATOM 934 N ASP A 60 5.789 2.980 13.758 1.00 0.00 N ATOM 935 CA ASP A 60 5.093 4.238 13.861 1.00 0.00 C ATOM 936 C ASP A 60 4.892 4.972 12.524 1.00 0.00 C ATOM 937 O ASP A 60 3.877 5.629 12.302 1.00 0.00 O ATOM 938 CB ASP A 60 5.811 5.058 14.904 1.00 0.00 C ATOM 939 CG ASP A 60 5.959 4.375 16.271 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.935 3.974 16.872 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.108 4.274 16.758 1.00 0.00 O ATOM 0 H ASP A 60 6.679 2.957 14.256 1.00 0.00 H new ATOM 0 HA ASP A 60 4.064 4.054 14.171 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.804 5.308 14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.275 5.998 15.039 1.00 0.00 H new ATOM 946 N ALA A 61 5.873 4.838 11.628 1.00 0.00 N ATOM 947 CA ALA A 61 5.717 5.286 10.243 1.00 0.00 C ATOM 948 C ALA A 61 4.490 4.658 9.569 1.00 0.00 C ATOM 949 O ALA A 61 3.640 5.336 8.991 1.00 0.00 O ATOM 950 CB ALA A 61 7.009 4.925 9.495 1.00 0.00 C ATOM 0 H ALA A 61 6.781 4.424 11.837 1.00 0.00 H new ATOM 0 HA ALA A 61 5.549 6.363 10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.929 5.245 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.854 5.427 9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.162 3.846 9.532 1.00 0.00 H new ATOM 956 N LYS A 62 4.430 3.329 9.656 1.00 0.00 N ATOM 957 CA LYS A 62 3.311 2.489 9.170 1.00 0.00 C ATOM 958 C LYS A 62 1.987 2.931 9.788 1.00 0.00 C ATOM 959 O LYS A 62 0.968 3.047 9.125 1.00 0.00 O ATOM 960 CB LYS A 62 3.614 0.994 9.410 1.00 0.00 C ATOM 961 CG LYS A 62 3.064 0.037 8.336 1.00 0.00 C ATOM 962 CD LYS A 62 1.532 -0.033 8.227 1.00 0.00 C ATOM 963 CE LYS A 62 1.137 -1.184 7.291 1.00 0.00 C ATOM 964 NZ LYS A 62 -0.338 -1.284 7.125 1.00 0.00 N ATOM 0 H LYS A 62 5.178 2.780 10.079 1.00 0.00 H new ATOM 0 HA LYS A 62 3.209 2.624 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.694 0.863 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.202 0.706 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.465 0.337 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.441 -0.965 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.093 -0.185 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.140 0.910 7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.603 -1.035 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.522 -2.123 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.563 -2.073 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.781 -1.451 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.703 -0.397 6.722 1.00 0.00 H new ATOM 978 N ASN A 63 2.032 3.157 11.090 1.00 0.00 N ATOM 979 CA ASN A 63 0.902 3.670 11.844 1.00 0.00 C ATOM 980 C ASN A 63 0.332 4.987 11.313 1.00 0.00 C ATOM 981 O ASN A 63 -0.848 5.056 10.995 1.00 0.00 O ATOM 982 CB ASN A 63 1.439 3.785 13.265 1.00 0.00 C ATOM 983 CG ASN A 63 0.466 3.463 14.367 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.472 2.693 14.211 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.724 3.968 15.540 1.00 0.00 N ATOM 0 H ASN A 63 2.862 2.988 11.658 1.00 0.00 H new ATOM 0 HA ASN A 63 0.040 3.007 11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.299 3.122 13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.802 4.802 13.414 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.141 3.722 16.340 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.509 4.609 15.658 1.00 0.00 H new ATOM 992 N ALA A 64 1.161 6.030 11.223 1.00 0.00 N ATOM 993 CA ALA A 64 0.768 7.282 10.587 1.00 0.00 C ATOM 994 C ALA A 64 0.272 7.074 9.138 1.00 0.00 C ATOM 995 O ALA A 64 -0.752 7.632 8.750 1.00 0.00 O ATOM 996 CB ALA A 64 1.936 8.262 10.743 1.00 0.00 C ATOM 0 H ALA A 64 2.114 6.028 11.586 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.104 7.716 11.077 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.678 9.213 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.140 8.420 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.823 7.851 10.260 1.00 0.00 H new ATOM 1002 N ALA A 65 0.946 6.224 8.353 1.00 0.00 N ATOM 1003 CA ALA A 65 0.437 5.798 7.042 1.00 0.00 C ATOM 1004 C ALA A 65 -0.965 5.175 7.049 1.00 0.00 C ATOM 1005 O ALA A 65 -1.788 5.505 6.207 1.00 0.00 O ATOM 1006 CB ALA A 65 1.461 4.876 6.365 1.00 0.00 C ATOM 0 H ALA A 65 1.847 5.817 8.603 1.00 0.00 H new ATOM 0 HA ALA A 65 0.310 6.712 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.081 4.562 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.401 5.412 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.630 3.999 6.990 1.00 0.00 H new ATOM 1012 N LYS A 66 -1.204 4.225 7.949 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.475 3.541 8.221 1.00 0.00 C ATOM 1014 C LYS A 66 -3.571 4.541 8.548 1.00 0.00 C ATOM 1015 O LYS A 66 -4.658 4.521 7.975 1.00 0.00 O ATOM 1016 CB LYS A 66 -2.248 2.491 9.331 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.494 1.736 9.833 1.00 0.00 C ATOM 1018 CD LYS A 66 -3.316 1.280 11.294 1.00 0.00 C ATOM 1019 CE LYS A 66 -3.516 2.457 12.266 1.00 0.00 C ATOM 1020 NZ LYS A 66 -3.178 2.098 13.668 1.00 0.00 N ATOM 0 H LYS A 66 -0.459 3.884 8.557 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.820 3.013 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.530 1.757 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.786 2.990 10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.370 2.380 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.678 0.869 9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.031 0.490 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.320 0.858 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.896 3.296 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.552 2.791 12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.501 2.852 14.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.647 1.205 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.148 1.985 13.759 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.239 5.392 9.515 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.128 6.462 9.963 1.00 0.00 C ATOM 1036 C ASP A 67 -4.597 7.396 8.839 1.00 0.00 C ATOM 1037 O ASP A 67 -5.771 7.498 8.482 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.352 7.286 11.018 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.256 8.061 11.999 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.491 8.131 11.789 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.732 8.585 13.008 1.00 0.00 O ATOM 0 H ASP A 67 -2.348 5.360 10.010 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.031 6.003 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.708 6.615 11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.701 7.993 10.504 1.00 0.00 H new ATOM 1046 N MET A 68 -3.590 8.110 8.356 1.00 0.00 N ATOM 1047 CA MET A 68 -3.793 9.300 7.495 1.00 0.00 C ATOM 1048 C MET A 68 -4.342 9.048 6.089 1.00 0.00 C ATOM 1049 O MET A 68 -5.522 9.260 5.831 1.00 0.00 O ATOM 1050 CB MET A 68 -2.534 10.146 7.480 1.00 0.00 C ATOM 1051 CG MET A 68 -2.124 10.681 8.859 1.00 0.00 C ATOM 1052 SD MET A 68 -3.461 11.351 9.896 1.00 0.00 S ATOM 1053 CE MET A 68 -3.982 12.793 8.935 1.00 0.00 C ATOM 0 H MET A 68 -2.610 7.895 8.540 1.00 0.00 H new ATOM 0 HA MET A 68 -4.610 9.850 7.962 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.715 9.553 7.074 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.683 10.988 6.805 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.637 9.875 9.408 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.379 11.463 8.714 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.894 13.206 9.365 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.196 13.548 8.957 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.170 12.494 7.904 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.415 8.667 5.196 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.740 8.069 3.884 1.00 0.00 C ATOM 1065 C ASN A 69 -4.695 8.746 2.869 1.00 0.00 C ATOM 1066 O ASN A 69 -4.856 8.228 1.763 1.00 0.00 O ATOM 1067 CB ASN A 69 -4.116 6.606 4.174 1.00 0.00 C ATOM 1068 CG ASN A 69 -5.592 6.359 4.420 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -6.374 6.066 3.527 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -6.006 6.472 5.658 1.00 0.00 N ATOM 0 H ASN A 69 -2.413 8.764 5.361 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.838 8.223 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.796 5.991 3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.556 6.269 5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.988 6.315 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.346 6.717 6.396 1.00 0.00 H new ATOM 1077 N GLY A 70 -5.259 9.911 3.176 1.00 0.00 N ATOM 1078 CA GLY A 70 -6.225 10.615 2.321 1.00 0.00 C ATOM 1079 C GLY A 70 -7.193 11.518 3.072 1.00 0.00 C ATOM 1080 O GLY A 70 -8.359 11.661 2.692 1.00 0.00 O ATOM 0 H GLY A 70 -5.056 10.407 4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.678 11.215 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.798 9.878 1.759 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.669 12.117 4.142 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.363 13.203 4.824 1.00 0.00 C ATOM 1086 C LYS A 71 -7.015 14.495 4.072 1.00 0.00 C ATOM 1087 O LYS A 71 -6.315 14.486 3.053 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.861 13.170 6.276 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.645 14.038 7.288 1.00 0.00 C ATOM 1090 CD LYS A 71 -6.884 15.273 7.806 1.00 0.00 C ATOM 1091 CE LYS A 71 -7.703 16.097 8.817 1.00 0.00 C ATOM 1092 NZ LYS A 71 -8.897 16.760 8.216 1.00 0.00 N ATOM 0 H LYS A 71 -5.769 11.867 4.552 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.450 13.123 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.881 12.137 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.819 13.489 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.571 14.370 6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.923 13.417 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.954 14.951 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.612 15.907 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.029 15.444 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.060 16.857 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.264 17.477 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.627 17.217 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.633 16.049 8.033 1.00 0.00 H new ATOM 1106 N SER A 72 -7.474 15.630 4.569 1.00 0.00 N ATOM 1107 CA SER A 72 -7.306 16.901 3.877 1.00 0.00 C ATOM 1108 C SER A 72 -7.381 18.035 4.880 1.00 0.00 C ATOM 1109 O SER A 72 -8.275 18.074 5.731 1.00 0.00 O ATOM 1110 CB SER A 72 -8.334 16.985 2.742 1.00 0.00 C ATOM 1111 OG SER A 72 -9.675 16.922 3.208 1.00 0.00 O ATOM 0 H SER A 72 -7.971 15.700 5.457 1.00 0.00 H new ATOM 0 HA SER A 72 -6.324 16.983 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.188 17.916 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.160 16.170 2.039 1.00 0.00 H new ATOM 0 HG SER A 72 -10.289 16.981 2.447 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.359 18.889 4.843 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.130 19.874 5.911 1.00 0.00 C ATOM 1119 C LEU A 73 -5.435 21.185 5.497 1.00 0.00 C ATOM 1120 O LEU A 73 -5.058 21.976 6.362 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.491 19.151 7.124 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.094 18.492 7.069 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.753 17.556 5.913 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -2.961 19.514 7.167 1.00 0.00 C ATOM 0 H LEU A 73 -5.674 18.922 4.088 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.104 20.266 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.459 19.878 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.190 18.370 7.423 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.175 17.850 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.735 17.185 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.447 16.716 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.832 18.098 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.001 18.999 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.033 20.218 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.040 20.055 8.110 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.297 21.445 4.189 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.698 22.687 3.671 1.00 0.00 C ATOM 1138 C HIS A 74 -5.286 23.203 2.337 1.00 0.00 C ATOM 1139 O HIS A 74 -4.622 23.934 1.597 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.183 22.518 3.601 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.694 21.561 2.561 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.275 21.909 1.304 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.383 20.248 2.754 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.683 20.840 0.757 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.725 19.795 1.602 1.00 0.00 N ATOM 0 H HIS A 74 -5.597 20.800 3.458 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.959 23.474 4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.733 23.493 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.826 22.184 4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.603 19.663 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.235 20.820 -0.225 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.353 18.860 1.438 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.516 22.803 1.995 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.167 23.260 0.757 1.00 0.00 C ATOM 1155 C GLY A 75 -6.774 22.476 -0.503 1.00 0.00 C ATOM 1156 O GLY A 75 -6.961 22.979 -1.613 1.00 0.00 O ATOM 0 H GLY A 75 -7.081 22.165 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.247 23.196 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.926 24.312 0.603 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.240 21.254 -0.336 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.045 20.329 -1.468 1.00 0.00 C ATOM 1162 C LYS A 76 -6.302 18.913 -0.977 1.00 0.00 C ATOM 1163 O LYS A 76 -7.355 18.366 -1.301 1.00 0.00 O ATOM 1164 CB LYS A 76 -4.644 20.508 -2.095 1.00 0.00 C ATOM 1165 CG LYS A 76 -4.388 19.555 -3.276 1.00 0.00 C ATOM 1166 CD LYS A 76 -3.144 19.969 -4.081 1.00 0.00 C ATOM 1167 CE LYS A 76 -2.946 19.048 -5.292 1.00 0.00 C ATOM 1168 NZ LYS A 76 -1.930 19.585 -6.236 1.00 0.00 N ATOM 0 H LYS A 76 -5.937 20.885 0.565 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.752 20.549 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.533 21.538 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.886 20.342 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.259 18.539 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.259 19.545 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.250 21.001 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.262 19.931 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.638 18.060 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.895 18.923 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.825 18.934 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.236 20.517 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.017 19.680 -5.747 1.00 0.00 H new ATOM 1182 N ALA A 77 -5.366 18.437 -0.144 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.394 17.075 0.414 1.00 0.00 C ATOM 1184 C ALA A 77 -3.968 16.631 0.774 1.00 0.00 C ATOM 1185 O ALA A 77 -2.988 17.172 0.257 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.003 16.033 -0.538 1.00 0.00 C ATOM 0 H ALA A 77 -4.564 18.987 0.164 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.031 17.123 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.991 15.053 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.031 16.310 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.420 15.996 -1.458 1.00 0.00 H new ATOM 1192 N ILE A 78 -3.892 15.585 1.600 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.634 14.867 1.838 1.00 0.00 C ATOM 1194 C ILE A 78 -2.744 13.413 1.480 1.00 0.00 C ATOM 1195 O ILE A 78 -3.748 12.753 1.746 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.003 14.983 3.224 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -2.891 14.657 4.418 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.432 16.402 3.356 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -3.141 13.224 4.848 1.00 0.00 C ATOM 0 H ILE A 78 -4.689 15.214 2.118 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.954 15.397 1.171 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.239 14.207 3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.470 15.178 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.865 15.104 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.972 16.519 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.682 16.566 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.236 17.130 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.799 13.214 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.610 12.676 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.193 12.751 5.105 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.681 12.945 0.843 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.506 11.527 0.565 1.00 0.00 C ATOM 1213 C LYS A 79 -0.241 10.993 1.202 1.00 0.00 C ATOM 1214 O LYS A 79 0.775 11.681 1.203 1.00 0.00 O ATOM 1215 CB LYS A 79 -1.656 11.296 -0.949 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.806 10.216 -1.636 1.00 0.00 C ATOM 1217 CD LYS A 79 0.660 10.590 -1.871 1.00 0.00 C ATOM 1218 CE LYS A 79 1.274 9.586 -2.847 1.00 0.00 C ATOM 1219 NZ LYS A 79 1.007 9.946 -4.265 1.00 0.00 N ATOM 0 H LYS A 79 -0.919 13.534 0.506 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.288 10.931 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.703 11.060 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.446 12.243 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.840 9.310 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.261 9.975 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.732 11.600 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.207 10.583 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.350 9.535 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.873 8.593 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.442 9.238 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.020 9.970 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.412 10.882 -4.468 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.352 9.820 1.825 1.00 0.00 N ATOM 1234 CA VAL A 80 0.692 9.237 2.682 1.00 0.00 C ATOM 1235 C VAL A 80 1.225 7.927 2.107 1.00 0.00 C ATOM 1236 O VAL A 80 0.487 6.976 1.859 1.00 0.00 O ATOM 1237 CB VAL A 80 0.213 9.070 4.134 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.373 8.630 5.035 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.391 10.386 4.648 1.00 0.00 C ATOM 0 H VAL A 80 -1.183 9.234 1.750 1.00 0.00 H new ATOM 0 HA VAL A 80 1.523 9.942 2.701 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.556 8.298 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.016 8.517 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.768 7.678 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.161 9.382 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.726 10.255 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.363 11.172 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.239 10.666 4.023 1.00 0.00 H new ATOM 1249 N GLU A 81 2.528 7.937 1.857 1.00 0.00 N ATOM 1250 CA GLU A 81 3.318 6.937 1.142 1.00 0.00 C ATOM 1251 C GLU A 81 4.621 6.657 1.915 1.00 0.00 C ATOM 1252 O GLU A 81 5.144 7.559 2.567 1.00 0.00 O ATOM 1253 CB GLU A 81 3.545 7.457 -0.289 1.00 0.00 C ATOM 1254 CG GLU A 81 4.306 6.508 -1.219 1.00 0.00 C ATOM 1255 CD GLU A 81 3.546 5.186 -1.436 1.00 0.00 C ATOM 1256 OE1 GLU A 81 3.693 4.265 -0.596 1.00 0.00 O ATOM 1257 OE2 GLU A 81 2.794 5.070 -2.434 1.00 0.00 O ATOM 0 H GLU A 81 3.111 8.711 2.176 1.00 0.00 H new ATOM 0 HA GLU A 81 2.802 5.979 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.575 7.676 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.091 8.399 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.469 6.995 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.289 6.297 -0.798 1.00 0.00 H new ATOM 1264 N GLN A 82 5.173 5.440 1.880 1.00 0.00 N ATOM 1265 CA GLN A 82 6.471 5.180 2.525 1.00 0.00 C ATOM 1266 C GLN A 82 7.558 5.380 1.457 1.00 0.00 C ATOM 1267 O GLN A 82 7.499 4.825 0.357 1.00 0.00 O ATOM 1268 CB GLN A 82 6.508 3.785 3.154 1.00 0.00 C ATOM 1269 CG GLN A 82 7.876 3.533 3.821 1.00 0.00 C ATOM 1270 CD GLN A 82 7.777 2.694 5.089 1.00 0.00 C ATOM 1271 OE1 GLN A 82 8.324 3.027 6.132 1.00 0.00 O ATOM 1272 NE2 GLN A 82 7.088 1.580 5.050 1.00 0.00 N ATOM 0 H GLN A 82 4.754 4.631 1.422 1.00 0.00 H new ATOM 0 HA GLN A 82 6.642 5.871 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.713 3.691 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.324 3.030 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.533 3.031 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.338 4.490 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.629 1.294 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.011 0.998 5.884 1.00 0.00 H new ATOM 1281 N ALA A 83 8.502 6.274 1.768 1.00 0.00 N ATOM 1282 CA ALA A 83 9.449 6.832 0.809 1.00 0.00 C ATOM 1283 C ALA A 83 10.393 5.810 0.142 1.00 0.00 C ATOM 1284 O ALA A 83 10.733 4.767 0.712 1.00 0.00 O ATOM 1285 CB ALA A 83 10.220 7.970 1.492 1.00 0.00 C ATOM 0 H ALA A 83 8.628 6.635 2.714 1.00 0.00 H new ATOM 0 HA ALA A 83 8.867 7.212 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.934 8.399 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.520 8.741 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.754 7.579 2.358 1.00 0.00 H new ATOM 1291 N LYS A 84 10.844 6.185 -1.063 1.00 0.00 N ATOM 1292 CA LYS A 84 11.798 5.382 -1.850 1.00 0.00 C ATOM 1293 C LYS A 84 13.116 6.143 -2.046 1.00 0.00 C ATOM 1294 O LYS A 84 13.267 7.263 -1.550 1.00 0.00 O ATOM 1295 CB LYS A 84 11.120 5.105 -3.215 1.00 0.00 C ATOM 1296 CG LYS A 84 10.440 3.735 -3.265 1.00 0.00 C ATOM 1297 CD LYS A 84 11.469 2.641 -3.575 1.00 0.00 C ATOM 1298 CE LYS A 84 10.786 1.276 -3.565 1.00 0.00 C ATOM 1299 NZ LYS A 84 11.683 0.229 -4.117 1.00 0.00 N ATOM 0 H LYS A 84 10.560 7.051 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 84 12.042 4.452 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.381 5.881 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.867 5.165 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.955 3.527 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.660 3.736 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.926 2.823 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.271 2.663 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.501 1.015 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.868 1.320 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.196 -0.690 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.935 0.469 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.547 0.174 -3.541 1.00 0.00 H new ATOM 1313 N LYS A 85 14.074 5.538 -2.763 1.00 0.00 N ATOM 1314 CA LYS A 85 15.239 6.288 -3.272 1.00 0.00 C ATOM 1315 C LYS A 85 14.752 7.352 -4.278 1.00 0.00 C ATOM 1316 O LYS A 85 13.767 7.105 -4.984 1.00 0.00 O ATOM 1317 CB LYS A 85 16.246 5.343 -3.952 1.00 0.00 C ATOM 1318 CG LYS A 85 17.156 4.651 -2.926 1.00 0.00 C ATOM 1319 CD LYS A 85 18.230 3.756 -3.573 1.00 0.00 C ATOM 1320 CE LYS A 85 19.152 4.469 -4.580 1.00 0.00 C ATOM 1321 NZ LYS A 85 19.979 5.536 -3.954 1.00 0.00 N ATOM 0 H LYS A 85 14.070 4.547 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 85 15.743 6.771 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.707 4.590 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.856 5.907 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.645 5.409 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.544 4.047 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.845 3.324 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.734 2.928 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.808 3.735 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.546 4.905 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.579 5.980 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.357 6.254 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.580 5.120 -3.214 1.00 0.00 H new ATOM 1335 N PRO A 86 15.415 8.516 -4.377 1.00 0.00 N ATOM 1336 CA PRO A 86 14.947 9.603 -5.229 1.00 0.00 C ATOM 1337 C PRO A 86 15.139 9.325 -6.724 1.00 0.00 C ATOM 1338 O PRO A 86 16.104 8.672 -7.132 1.00 0.00 O ATOM 1339 CB PRO A 86 15.756 10.824 -4.793 1.00 0.00 C ATOM 1340 CG PRO A 86 17.050 10.236 -4.260 1.00 0.00 C ATOM 1341 CD PRO A 86 16.598 8.921 -3.631 1.00 0.00 C ATOM 0 HA PRO A 86 13.872 9.744 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.939 11.500 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.233 11.397 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.777 10.074 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.520 10.893 -3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.381 8.165 -3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.369 9.051 -2.573 1.00 0.00 H new