USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 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 16 ASN : amide:sc= 1.79 K(o=2.9,f=-2.9) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -144:sc= 0.485 (180deg=-0.0333) USER MOD Set 2.2: A 82 GLN : amide:sc= 0.475 K(o=0.96,f=-3.3) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.861) USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0.406 USER MOD Set 4.1: A 23 MET CE :methyl 178:sc= -1.06 (180deg=-1.12) USER MOD Set 4.2: A 74 HIS : no HE2:sc= 0.672 K(o=-0.39,f=-5.8!) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0) USER MOD Set 5.2: A 54 THR OG1 : rot 151:sc= 2.29 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 20 ASN : amide:sc= -0.918 K(o=-0.92,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.2) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.0837 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.759 K(o=0.76,f=-2.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -39:sc= 0.00743 USER MOD Single : A 45 SER OG : rot -44:sc= 0.887 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.324 (180deg=-0.324) USER MOD Single : A 57 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.648 K(o=0.65,f=-0.43) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 154:sc= -0.343 (180deg=-0.65) USER MOD Single : A 69 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.066) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.607) 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 10.973 6.667 7.216 1.00 0.00 N ATOM 112 CA LYS A 9 10.952 7.989 6.563 1.00 0.00 C ATOM 113 C LYS A 9 9.802 8.094 5.547 1.00 0.00 C ATOM 114 O LYS A 9 9.578 7.192 4.738 1.00 0.00 O ATOM 115 CB LYS A 9 12.350 8.271 5.984 1.00 0.00 C ATOM 116 CG LYS A 9 12.621 9.766 5.750 1.00 0.00 C ATOM 117 CD LYS A 9 14.100 9.985 5.385 1.00 0.00 C ATOM 118 CE LYS A 9 14.441 11.467 5.164 1.00 0.00 C ATOM 119 NZ LYS A 9 14.788 12.173 6.421 1.00 0.00 N ATOM 0 HA LYS A 9 10.739 8.775 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.104 7.874 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.459 7.737 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.982 10.138 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.372 10.333 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.730 9.586 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.334 9.423 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.277 11.542 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.591 11.964 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.488 13.167 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.304 11.717 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.816 12.131 6.570 1.00 0.00 H new ATOM 133 N LEU A 10 9.085 9.216 5.611 1.00 0.00 N ATOM 134 CA LEU A 10 7.788 9.365 4.928 1.00 0.00 C ATOM 135 C LEU A 10 7.709 10.595 4.030 1.00 0.00 C ATOM 136 O LEU A 10 8.179 11.651 4.433 1.00 0.00 O ATOM 137 CB LEU A 10 6.679 9.524 5.980 1.00 0.00 C ATOM 138 CG LEU A 10 5.911 8.259 6.289 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.696 7.223 7.040 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.566 8.521 6.979 1.00 0.00 C ATOM 0 H LEU A 10 9.378 10.043 6.131 1.00 0.00 H new ATOM 0 HA LEU A 10 7.670 8.474 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.124 9.897 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.977 10.283 5.635 1.00 0.00 H new ATOM 0 HG LEU A 10 5.707 7.840 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.068 6.350 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.567 6.930 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.024 7.636 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.066 7.572 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.736 9.041 7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.940 9.136 6.333 1.00 0.00 H new ATOM 152 N PHE A 11 7.058 10.468 2.875 1.00 0.00 N ATOM 153 CA PHE A 11 6.711 11.565 1.963 1.00 0.00 C ATOM 154 C PHE A 11 5.204 11.889 2.081 1.00 0.00 C ATOM 155 O PHE A 11 4.356 10.997 1.985 1.00 0.00 O ATOM 156 CB PHE A 11 7.128 11.131 0.542 1.00 0.00 C ATOM 157 CG PHE A 11 6.515 11.802 -0.686 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.163 13.169 -0.725 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.351 11.027 -1.853 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.610 13.728 -1.894 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.818 11.589 -3.025 1.00 0.00 C ATOM 162 CZ PHE A 11 5.444 12.940 -3.043 1.00 0.00 C ATOM 0 H PHE A 11 6.743 9.561 2.531 1.00 0.00 H new ATOM 0 HA PHE A 11 7.238 12.486 2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.208 11.257 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.926 10.063 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.318 13.789 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.639 9.986 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.313 14.766 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.697 10.982 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.028 13.374 -3.941 1.00 0.00 H new ATOM 172 N ILE A 12 4.904 13.182 2.286 1.00 0.00 N ATOM 173 CA ILE A 12 3.539 13.687 2.253 1.00 0.00 C ATOM 174 C ILE A 12 3.504 14.603 1.049 1.00 0.00 C ATOM 175 O ILE A 12 4.381 15.455 0.829 1.00 0.00 O ATOM 176 CB ILE A 12 3.174 14.466 3.539 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.395 13.574 4.514 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.265 15.698 3.331 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.993 12.207 4.835 1.00 0.00 C ATOM 0 H ILE A 12 5.605 13.898 2.478 1.00 0.00 H new ATOM 0 HA ILE A 12 2.815 12.874 2.191 1.00 0.00 H new ATOM 0 HB ILE A 12 4.145 14.791 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.276 14.119 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.396 13.419 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.069 16.172 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.761 16.409 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.322 15.383 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.343 11.681 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.085 11.626 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.978 12.337 5.282 1.00 0.00 H new ATOM 191 N GLY A 13 2.440 14.403 0.291 1.00 0.00 N ATOM 192 CA GLY A 13 2.221 15.040 -0.969 1.00 0.00 C ATOM 193 C GLY A 13 1.036 15.966 -0.876 1.00 0.00 C ATOM 194 O GLY A 13 -0.085 15.553 -0.562 1.00 0.00 O ATOM 0 H GLY A 13 1.687 13.769 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.109 15.600 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.048 14.290 -1.740 1.00 0.00 H new ATOM 198 N GLY A 14 1.390 17.211 -1.175 1.00 0.00 N ATOM 199 CA GLY A 14 0.431 18.295 -1.270 1.00 0.00 C ATOM 200 C GLY A 14 1.127 19.599 -1.229 1.00 0.00 C ATOM 201 O GLY A 14 1.700 19.990 -2.242 1.00 0.00 O ATOM 0 H GLY A 14 2.353 17.493 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.137 18.207 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.284 18.230 -0.450 1.00 0.00 H new ATOM 205 N LEU A 15 1.106 20.168 -0.043 1.00 0.00 N ATOM 206 CA LEU A 15 1.843 21.397 0.257 1.00 0.00 C ATOM 207 C LEU A 15 1.498 22.654 -0.478 1.00 0.00 C ATOM 208 O LEU A 15 1.465 23.695 0.157 1.00 0.00 O ATOM 209 CB LEU A 15 3.330 21.151 0.019 1.00 0.00 C ATOM 210 CG LEU A 15 4.002 20.096 0.886 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.545 20.249 2.309 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.595 18.705 0.432 1.00 0.00 C ATOM 0 H LEU A 15 0.579 19.798 0.748 1.00 0.00 H new ATOM 0 HA LEU A 15 1.552 21.592 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.464 20.867 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.857 22.094 0.163 1.00 0.00 H new ATOM 0 HG LEU A 15 5.081 20.225 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.027 19.493 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.813 21.241 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.463 20.124 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.083 17.960 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.513 18.597 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.896 18.558 -0.605 1.00 0.00 H new ATOM 224 N ASN A 16 1.084 22.533 -1.720 1.00 0.00 N ATOM 225 CA ASN A 16 0.433 23.512 -2.530 1.00 0.00 C ATOM 226 C ASN A 16 1.019 24.941 -2.491 1.00 0.00 C ATOM 227 O ASN A 16 0.305 25.920 -2.712 1.00 0.00 O ATOM 228 CB ASN A 16 -1.015 23.343 -2.082 1.00 0.00 C ATOM 229 CG ASN A 16 -2.008 24.142 -2.909 1.00 0.00 C ATOM 230 OD1 ASN A 16 -1.989 24.098 -4.131 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.950 24.820 -2.307 1.00 0.00 N ATOM 0 H ASN A 16 1.212 21.657 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 16 0.571 23.357 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.281 22.287 -2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.100 23.644 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.659 25.305 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.976 24.863 -1.288 1.00 0.00 H new ATOM 238 N ARG A 17 2.328 25.062 -2.199 1.00 0.00 N ATOM 239 CA ARG A 17 3.021 26.324 -1.863 1.00 0.00 C ATOM 240 C ARG A 17 2.232 27.135 -0.804 1.00 0.00 C ATOM 241 O ARG A 17 2.172 28.363 -0.842 1.00 0.00 O ATOM 242 CB ARG A 17 3.355 27.121 -3.145 1.00 0.00 C ATOM 243 CG ARG A 17 4.182 26.405 -4.232 1.00 0.00 C ATOM 244 CD ARG A 17 3.523 25.253 -5.023 1.00 0.00 C ATOM 245 NE ARG A 17 2.139 25.550 -5.439 1.00 0.00 N ATOM 246 CZ ARG A 17 1.240 24.707 -5.913 1.00 0.00 C ATOM 247 NH1 ARG A 17 1.424 23.419 -5.967 1.00 0.00 N ATOM 248 NH2 ARG A 17 0.099 25.159 -6.339 1.00 0.00 N ATOM 0 H ARG A 17 2.955 24.257 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 17 3.977 26.091 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.416 27.444 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.894 28.022 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.506 27.157 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.080 26.010 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.123 25.038 -5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.526 24.352 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 17 1.841 26.522 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.298 23.014 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.694 22.815 -6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.098 26.159 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.600 24.514 -6.706 1.00 0.00 H new ATOM 262 N GLU A 18 1.608 26.420 0.135 1.00 0.00 N ATOM 263 CA GLU A 18 0.604 26.860 1.093 1.00 0.00 C ATOM 264 C GLU A 18 0.922 26.379 2.520 1.00 0.00 C ATOM 265 O GLU A 18 1.074 27.220 3.410 1.00 0.00 O ATOM 266 CB GLU A 18 -0.713 26.228 0.614 1.00 0.00 C ATOM 267 CG GLU A 18 -1.874 26.428 1.580 1.00 0.00 C ATOM 268 CD GLU A 18 -3.165 25.880 0.961 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.118 24.741 0.441 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.197 26.595 0.963 1.00 0.00 O ATOM 0 H GLU A 18 1.815 25.428 0.250 1.00 0.00 H new ATOM 0 HA GLU A 18 0.562 27.948 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.979 26.653 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.559 25.160 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.667 25.920 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.991 27.487 1.808 1.00 0.00 H new ATOM 277 N THR A 19 1.037 25.056 2.750 1.00 0.00 N ATOM 278 CA THR A 19 1.260 24.512 4.115 1.00 0.00 C ATOM 279 C THR A 19 2.678 23.976 4.352 1.00 0.00 C ATOM 280 O THR A 19 3.461 23.849 3.407 1.00 0.00 O ATOM 281 CB THR A 19 0.145 23.561 4.549 1.00 0.00 C ATOM 282 OG1 THR A 19 0.059 23.583 5.958 1.00 0.00 O ATOM 283 CG2 THR A 19 0.367 22.116 4.143 1.00 0.00 C ATOM 0 H THR A 19 0.981 24.346 2.020 1.00 0.00 H new ATOM 0 HA THR A 19 1.197 25.365 4.791 1.00 0.00 H new ATOM 0 HB THR A 19 -0.760 23.911 4.053 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.654 22.978 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.469 21.508 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.439 22.050 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.291 21.750 4.591 1.00 0.00 H new ATOM 291 N ASN A 20 3.025 23.685 5.618 1.00 0.00 N ATOM 292 CA ASN A 20 4.436 23.486 6.012 1.00 0.00 C ATOM 293 C ASN A 20 4.586 22.660 7.304 1.00 0.00 C ATOM 294 O ASN A 20 3.694 21.907 7.666 1.00 0.00 O ATOM 295 CB ASN A 20 5.130 24.874 6.166 1.00 0.00 C ATOM 296 CG ASN A 20 5.144 25.772 4.937 1.00 0.00 C ATOM 297 OD1 ASN A 20 5.960 25.630 4.038 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.277 26.760 4.878 1.00 0.00 N ATOM 0 H ASN A 20 2.357 23.583 6.382 1.00 0.00 H new ATOM 0 HA ASN A 20 4.921 22.911 5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.637 25.413 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.161 24.706 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.288 27.402 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.593 26.884 5.625 1.00 0.00 H new ATOM 305 N GLU A 21 5.704 22.759 8.037 1.00 0.00 N ATOM 306 CA GLU A 21 5.970 21.889 9.217 1.00 0.00 C ATOM 307 C GLU A 21 4.903 21.805 10.357 1.00 0.00 C ATOM 308 O GLU A 21 4.841 20.925 11.226 1.00 0.00 O ATOM 309 CB GLU A 21 7.408 22.103 9.657 1.00 0.00 C ATOM 310 CG GLU A 21 7.687 21.898 11.136 1.00 0.00 C ATOM 311 CD GLU A 21 7.424 23.130 12.027 1.00 0.00 C ATOM 312 OE1 GLU A 21 6.700 24.063 11.601 1.00 0.00 O ATOM 313 OE2 GLU A 21 7.951 23.177 13.165 1.00 0.00 O ATOM 0 H GLU A 21 6.447 23.431 7.842 1.00 0.00 H new ATOM 0 HA GLU A 21 5.839 20.864 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.046 21.425 9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.702 23.118 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.074 21.072 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.728 21.598 11.256 1.00 0.00 H new ATOM 320 N LYS A 22 4.050 22.792 10.206 1.00 0.00 N ATOM 321 CA LYS A 22 2.803 22.833 10.994 1.00 0.00 C ATOM 322 C LYS A 22 2.037 21.549 10.763 1.00 0.00 C ATOM 323 O LYS A 22 1.837 20.706 11.644 1.00 0.00 O ATOM 324 CB LYS A 22 1.903 24.029 10.624 1.00 0.00 C ATOM 325 CG LYS A 22 2.375 24.955 9.504 1.00 0.00 C ATOM 326 CD LYS A 22 3.681 25.763 9.654 1.00 0.00 C ATOM 327 CE LYS A 22 3.820 26.123 11.117 1.00 0.00 C ATOM 328 NZ LYS A 22 5.223 26.394 11.524 1.00 0.00 N ATOM 0 H LYS A 22 4.177 23.572 9.561 1.00 0.00 H new ATOM 0 HA LYS A 22 3.080 22.947 12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.924 23.638 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.762 24.632 11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.474 24.347 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.574 25.670 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.537 25.176 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.650 26.662 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.212 27.003 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.424 25.309 11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.236 26.780 12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.769 25.509 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.647 27.082 10.870 1.00 0.00 H new ATOM 342 N MET A 23 1.763 21.451 9.453 1.00 0.00 N ATOM 343 CA MET A 23 1.163 20.273 8.890 1.00 0.00 C ATOM 344 C MET A 23 2.033 19.097 9.274 1.00 0.00 C ATOM 345 O MET A 23 1.529 18.002 9.421 1.00 0.00 O ATOM 346 CB MET A 23 1.079 20.370 7.344 1.00 0.00 C ATOM 347 CG MET A 23 2.093 19.517 6.596 1.00 0.00 C ATOM 348 SD MET A 23 2.003 19.146 4.838 1.00 0.00 S ATOM 349 CE MET A 23 0.282 18.671 4.630 1.00 0.00 C ATOM 0 H MET A 23 1.956 22.189 8.776 1.00 0.00 H new ATOM 0 HA MET A 23 0.148 20.160 9.270 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.077 20.078 7.029 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.214 21.411 7.051 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.063 19.988 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.116 18.555 7.108 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.089 18.452 3.580 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.074 17.785 5.230 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.363 19.488 4.954 1.00 0.00 H new ATOM 359 N LEU A 24 3.356 19.280 9.218 1.00 0.00 N ATOM 360 CA LEU A 24 4.242 18.138 9.404 1.00 0.00 C ATOM 361 C LEU A 24 3.993 17.395 10.711 1.00 0.00 C ATOM 362 O LEU A 24 3.426 16.296 10.720 1.00 0.00 O ATOM 363 CB LEU A 24 5.720 18.521 9.260 1.00 0.00 C ATOM 364 CG LEU A 24 6.285 18.650 7.838 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.371 17.272 7.326 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.478 19.277 6.729 1.00 0.00 C ATOM 0 H LEU A 24 3.819 20.173 9.052 1.00 0.00 H new ATOM 0 HA LEU A 24 3.998 17.446 8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.872 19.473 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.313 17.777 9.791 1.00 0.00 H new ATOM 0 HG LEU A 24 7.162 19.277 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.768 17.285 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.031 16.687 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.378 16.823 7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.059 19.270 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.559 18.710 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.232 20.305 6.995 1.00 0.00 H new ATOM 378 N LYS A 25 4.397 17.999 11.830 1.00 0.00 N ATOM 379 CA LYS A 25 4.173 17.398 13.140 1.00 0.00 C ATOM 380 C LYS A 25 2.713 17.082 13.370 1.00 0.00 C ATOM 381 O LYS A 25 2.432 16.042 13.955 1.00 0.00 O ATOM 382 CB LYS A 25 4.724 18.283 14.239 1.00 0.00 C ATOM 383 CG LYS A 25 6.270 18.307 14.123 1.00 0.00 C ATOM 384 CD LYS A 25 7.006 17.925 15.412 1.00 0.00 C ATOM 385 CE LYS A 25 7.203 16.402 15.527 1.00 0.00 C ATOM 386 NZ LYS A 25 7.760 16.004 16.849 1.00 0.00 N ATOM 0 H LYS A 25 4.878 18.898 11.853 1.00 0.00 H new ATOM 0 HA LYS A 25 4.713 16.451 13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.322 19.292 14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.423 17.905 15.216 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.574 17.624 13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.584 19.306 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.977 18.420 15.437 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.442 18.285 16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.247 15.901 15.372 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.872 16.063 14.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.463 15.249 16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.214 16.826 17.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.992 15.658 17.459 1.00 0.00 H new ATOM 400 N ALA A 26 1.809 17.906 12.836 1.00 0.00 N ATOM 401 CA ALA A 26 0.398 17.582 12.815 1.00 0.00 C ATOM 402 C ALA A 26 0.097 16.186 12.192 1.00 0.00 C ATOM 403 O ALA A 26 -0.064 15.163 12.872 1.00 0.00 O ATOM 404 CB ALA A 26 -0.288 18.716 12.024 1.00 0.00 C ATOM 0 H ALA A 26 2.040 18.805 12.413 1.00 0.00 H new ATOM 0 HA ALA A 26 0.016 17.511 13.833 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.360 18.527 11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.110 19.668 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.122 18.755 11.015 1.00 0.00 H new ATOM 410 N VAL A 27 0.086 16.194 10.856 1.00 0.00 N ATOM 411 CA VAL A 27 -0.347 15.050 10.043 1.00 0.00 C ATOM 412 C VAL A 27 0.362 13.783 10.433 1.00 0.00 C ATOM 413 O VAL A 27 -0.245 12.745 10.672 1.00 0.00 O ATOM 414 CB VAL A 27 0.021 15.371 8.567 1.00 0.00 C ATOM 415 CG1 VAL A 27 0.223 14.240 7.575 1.00 0.00 C ATOM 416 CG2 VAL A 27 -0.937 16.352 7.971 1.00 0.00 C ATOM 0 H VAL A 27 0.379 16.999 10.303 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.416 14.898 10.188 1.00 0.00 H new ATOM 0 HB VAL A 27 1.026 15.770 8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.473 14.653 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.035 13.598 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.694 13.656 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.653 16.556 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.945 15.937 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.912 17.279 8.544 1.00 0.00 H new ATOM 426 N PHE A 28 1.680 13.851 10.408 1.00 0.00 N ATOM 427 CA PHE A 28 2.496 12.728 10.768 1.00 0.00 C ATOM 428 C PHE A 28 2.402 12.337 12.236 1.00 0.00 C ATOM 429 O PHE A 28 2.236 11.159 12.559 1.00 0.00 O ATOM 430 CB PHE A 28 3.900 13.058 10.303 1.00 0.00 C ATOM 431 CG PHE A 28 4.152 13.271 8.810 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.803 14.480 8.169 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.936 12.343 8.102 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.309 14.796 6.900 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.508 12.703 6.869 1.00 0.00 C ATOM 436 CZ PHE A 28 5.241 13.950 6.294 1.00 0.00 C ATOM 0 H PHE A 28 2.203 14.684 10.138 1.00 0.00 H new ATOM 0 HA PHE A 28 2.137 11.825 10.274 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.215 13.963 10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.555 12.254 10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.137 15.171 8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.099 11.354 8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.979 15.691 6.393 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.161 12.009 6.360 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.750 14.255 5.392 1.00 0.00 H new ATOM 446 N GLY A 29 2.548 13.309 13.139 1.00 0.00 N ATOM 447 CA GLY A 29 2.346 13.028 14.555 1.00 0.00 C ATOM 448 C GLY A 29 1.003 12.437 14.922 1.00 0.00 C ATOM 449 O GLY A 29 0.877 11.926 16.037 1.00 0.00 O ATOM 0 H GLY A 29 2.799 14.273 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.126 12.342 14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.479 13.955 15.113 1.00 0.00 H new ATOM 453 N LYS A 30 0.006 12.496 14.017 1.00 0.00 N ATOM 454 CA LYS A 30 -1.309 11.864 14.264 1.00 0.00 C ATOM 455 C LYS A 30 -1.173 10.445 14.837 1.00 0.00 C ATOM 456 O LYS A 30 -1.884 10.084 15.779 1.00 0.00 O ATOM 457 CB LYS A 30 -2.149 11.769 12.990 1.00 0.00 C ATOM 458 CG LYS A 30 -2.662 13.116 12.476 1.00 0.00 C ATOM 459 CD LYS A 30 -4.069 13.457 12.947 1.00 0.00 C ATOM 460 CE LYS A 30 -4.414 14.843 12.384 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.666 15.392 12.968 1.00 0.00 N ATOM 0 H LYS A 30 0.083 12.969 13.117 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.804 12.510 14.989 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.552 11.298 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.001 11.116 13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.980 13.902 12.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.645 13.109 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.783 12.711 12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.120 13.461 14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.591 15.529 12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.519 14.777 11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.859 16.328 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.458 14.752 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.559 15.480 13.999 1.00 0.00 H new ATOM 475 N HIS A 31 -0.222 9.688 14.279 1.00 0.00 N ATOM 476 CA HIS A 31 0.061 8.319 14.737 1.00 0.00 C ATOM 477 C HIS A 31 1.561 7.961 14.943 1.00 0.00 C ATOM 478 O HIS A 31 1.897 6.773 14.918 1.00 0.00 O ATOM 479 CB HIS A 31 -0.712 7.329 13.825 1.00 0.00 C ATOM 480 CG HIS A 31 -1.973 6.762 14.435 1.00 0.00 C ATOM 481 ND1 HIS A 31 -2.835 7.410 15.290 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.517 5.531 14.178 1.00 0.00 C ATOM 483 CE1 HIS A 31 -3.870 6.595 15.549 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.718 5.426 14.898 1.00 0.00 N ATOM 0 H HIS A 31 0.368 9.999 13.507 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.305 8.235 15.760 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.971 7.838 12.896 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.049 6.505 13.563 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.709 8.351 15.664 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.096 4.773 13.534 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.705 6.842 16.188 1.00 0.00 H new ATOM 492 N GLY A 32 2.491 8.899 15.205 1.00 0.00 N ATOM 493 CA GLY A 32 3.851 8.539 15.594 1.00 0.00 C ATOM 494 C GLY A 32 4.633 9.640 16.334 1.00 0.00 C ATOM 495 O GLY A 32 4.113 10.734 16.562 1.00 0.00 O ATOM 0 H GLY A 32 2.319 9.903 15.152 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.808 7.655 16.231 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.406 8.260 14.699 1.00 0.00 H new ATOM 499 N PRO A 33 5.886 9.340 16.722 1.00 0.00 N ATOM 500 CA PRO A 33 6.778 10.207 17.486 1.00 0.00 C ATOM 501 C PRO A 33 7.351 11.412 16.702 1.00 0.00 C ATOM 502 O PRO A 33 7.024 12.554 17.035 1.00 0.00 O ATOM 503 CB PRO A 33 7.879 9.262 18.005 1.00 0.00 C ATOM 504 CG PRO A 33 7.899 8.098 17.010 1.00 0.00 C ATOM 505 CD PRO A 33 6.433 8.007 16.617 1.00 0.00 C ATOM 0 HA PRO A 33 6.230 10.703 18.288 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.845 9.765 18.044 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.659 8.915 19.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.541 8.302 16.153 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.259 7.176 17.466 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.329 7.626 15.601 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.900 7.318 17.272 1.00 0.00 H new ATOM 513 N ILE A 34 8.243 11.164 15.721 1.00 0.00 N ATOM 514 CA ILE A 34 8.781 12.227 14.835 1.00 0.00 C ATOM 515 C ILE A 34 10.065 12.876 15.389 1.00 0.00 C ATOM 516 O ILE A 34 10.000 13.661 16.337 1.00 0.00 O ATOM 517 CB ILE A 34 7.776 13.200 14.169 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.785 12.527 13.216 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.599 14.194 13.328 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.606 11.945 13.977 1.00 0.00 C ATOM 0 H ILE A 34 8.610 10.234 15.519 1.00 0.00 H new ATOM 0 HA ILE A 34 9.081 11.667 13.949 1.00 0.00 H new ATOM 0 HB ILE A 34 7.195 13.658 14.970 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.428 13.253 12.485 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.289 11.737 12.660 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.928 14.900 12.839 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.287 14.736 13.976 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.165 13.650 12.572 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.918 11.473 13.276 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.964 11.202 14.690 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.089 12.742 14.512 1.00 0.00 H new ATOM 532 N SER A 35 11.221 12.533 14.811 1.00 0.00 N ATOM 533 CA SER A 35 12.545 13.039 15.194 1.00 0.00 C ATOM 534 C SER A 35 13.170 13.939 14.119 1.00 0.00 C ATOM 535 O SER A 35 14.075 14.716 14.434 1.00 0.00 O ATOM 536 CB SER A 35 13.452 11.837 15.465 1.00 0.00 C ATOM 537 OG SER A 35 14.688 12.203 16.054 1.00 0.00 O ATOM 0 H SER A 35 11.263 11.872 14.036 1.00 0.00 H new ATOM 0 HA SER A 35 12.433 13.657 16.085 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.935 11.138 16.122 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.642 11.313 14.528 1.00 0.00 H new ATOM 0 HG SER A 35 15.228 11.400 16.207 1.00 0.00 H new ATOM 543 N GLU A 36 12.676 13.907 12.871 1.00 0.00 N ATOM 544 CA GLU A 36 13.204 14.778 11.802 1.00 0.00 C ATOM 545 C GLU A 36 12.103 15.312 10.890 1.00 0.00 C ATOM 546 O GLU A 36 11.182 14.573 10.550 1.00 0.00 O ATOM 547 CB GLU A 36 14.228 14.073 10.903 1.00 0.00 C ATOM 548 CG GLU A 36 15.395 13.393 11.623 1.00 0.00 C ATOM 549 CD GLU A 36 16.453 12.904 10.612 1.00 0.00 C ATOM 550 OE1 GLU A 36 16.093 12.170 9.658 1.00 0.00 O ATOM 551 OE2 GLU A 36 17.649 13.255 10.763 1.00 0.00 O ATOM 0 H GLU A 36 11.917 13.293 12.576 1.00 0.00 H new ATOM 0 HA GLU A 36 13.685 15.595 12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.706 13.322 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.634 14.805 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.851 14.091 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.026 12.550 12.207 1.00 0.00 H new ATOM 558 N VAL A 37 12.226 16.575 10.464 1.00 0.00 N ATOM 559 CA VAL A 37 11.176 17.304 9.736 1.00 0.00 C ATOM 560 C VAL A 37 11.752 18.065 8.536 1.00 0.00 C ATOM 561 O VAL A 37 12.697 18.844 8.670 1.00 0.00 O ATOM 562 CB VAL A 37 10.406 18.244 10.685 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.156 18.754 9.972 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.956 17.545 11.978 1.00 0.00 C ATOM 0 H VAL A 37 13.069 17.129 10.617 1.00 0.00 H new ATOM 0 HA VAL A 37 10.469 16.573 9.343 1.00 0.00 H new ATOM 0 HB VAL A 37 11.085 19.054 10.953 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.605 19.420 10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.446 19.297 9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.523 17.910 9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.419 18.255 12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.300 16.710 11.731 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.830 17.173 12.514 1.00 0.00 H new ATOM 574 N LEU A 38 11.192 17.798 7.355 1.00 0.00 N ATOM 575 CA LEU A 38 11.683 18.191 6.033 1.00 0.00 C ATOM 576 C LEU A 38 10.584 18.742 5.100 1.00 0.00 C ATOM 577 O LEU A 38 9.460 18.238 5.083 1.00 0.00 O ATOM 578 CB LEU A 38 12.334 16.965 5.372 1.00 0.00 C ATOM 579 CG LEU A 38 13.195 17.246 4.132 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.455 17.999 4.507 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.704 15.955 3.507 1.00 0.00 C ATOM 0 H LEU A 38 10.324 17.265 7.293 1.00 0.00 H new ATOM 0 HA LEU A 38 12.396 19.001 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.955 16.463 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.545 16.267 5.092 1.00 0.00 H new ATOM 0 HG LEU A 38 12.556 17.810 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.047 18.186 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.187 18.949 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.038 17.405 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.310 16.189 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.310 15.413 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.857 15.337 3.208 1.00 0.00 H new ATOM 593 N LEU A 39 10.898 19.780 4.326 1.00 0.00 N ATOM 594 CA LEU A 39 10.103 20.239 3.185 1.00 0.00 C ATOM 595 C LEU A 39 11.068 20.436 2.002 1.00 0.00 C ATOM 596 O LEU A 39 12.178 20.943 2.185 1.00 0.00 O ATOM 597 CB LEU A 39 9.166 21.417 3.495 1.00 0.00 C ATOM 598 CG LEU A 39 9.828 22.783 3.735 1.00 0.00 C ATOM 599 CD1 LEU A 39 8.787 23.866 3.475 1.00 0.00 C ATOM 600 CD2 LEU A 39 10.352 22.945 5.162 1.00 0.00 C ATOM 0 H LEU A 39 11.736 20.341 4.479 1.00 0.00 H new ATOM 0 HA LEU A 39 9.371 19.480 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.464 21.520 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.581 21.163 4.379 1.00 0.00 H new ATOM 0 HG LEU A 39 10.682 22.863 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.233 24.847 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.437 23.794 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.945 23.732 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.809 23.928 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.526 22.847 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.096 22.175 5.366 1.00 0.00 H new ATOM 612 N ILE A 40 10.674 19.973 0.817 1.00 0.00 N ATOM 613 CA ILE A 40 11.594 19.807 -0.310 1.00 0.00 C ATOM 614 C ILE A 40 11.354 20.930 -1.305 1.00 0.00 C ATOM 615 O ILE A 40 10.184 21.254 -1.596 1.00 0.00 O ATOM 616 CB ILE A 40 11.339 18.458 -1.018 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.587 17.227 -0.125 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.145 18.354 -2.324 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.013 17.036 0.379 1.00 0.00 C ATOM 0 H ILE A 40 9.712 19.703 0.610 1.00 0.00 H new ATOM 0 HA ILE A 40 12.619 19.829 0.060 1.00 0.00 H new ATOM 0 HB ILE A 40 10.275 18.449 -1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.925 17.291 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.299 16.336 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.945 17.394 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.853 19.160 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.209 18.434 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.064 16.139 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.688 16.931 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.308 17.901 0.972 1.00 0.00 H new ATOM 631 N LYS A 41 12.518 21.462 -1.736 1.00 0.00 N ATOM 632 CA LYS A 41 12.597 22.670 -2.574 1.00 0.00 C ATOM 633 C LYS A 41 13.565 22.451 -3.768 1.00 0.00 C ATOM 634 O LYS A 41 13.518 21.417 -4.433 1.00 0.00 O ATOM 635 CB LYS A 41 12.971 23.882 -1.679 1.00 0.00 C ATOM 636 CG LYS A 41 12.029 24.039 -0.477 1.00 0.00 C ATOM 637 CD LYS A 41 12.190 25.378 0.253 1.00 0.00 C ATOM 638 CE LYS A 41 11.023 25.561 1.230 1.00 0.00 C ATOM 639 NZ LYS A 41 9.787 25.992 0.512 1.00 0.00 N ATOM 0 H LYS A 41 13.429 21.062 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 41 11.628 22.886 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.994 23.763 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.946 24.793 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.998 23.941 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.211 23.226 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.138 25.401 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.211 26.198 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.835 24.625 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.288 26.303 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.046 26.223 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.996 26.832 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.457 25.222 -0.104 1.00 0.00 H new ATOM 653 N ASP A 42 14.407 23.444 -4.048 1.00 0.00 N ATOM 654 CA ASP A 42 15.274 23.656 -5.228 1.00 0.00 C ATOM 655 C ASP A 42 16.175 24.863 -4.899 1.00 0.00 C ATOM 656 O ASP A 42 15.703 25.743 -4.187 1.00 0.00 O ATOM 657 CB ASP A 42 14.431 23.930 -6.490 1.00 0.00 C ATOM 658 CG ASP A 42 13.141 24.790 -6.391 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.520 24.918 -5.308 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.758 25.389 -7.422 1.00 0.00 O ATOM 0 H ASP A 42 14.518 24.211 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 42 15.870 22.768 -5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.085 24.409 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.145 22.963 -6.905 1.00 0.00 H new ATOM 665 N ARG A 43 17.456 24.950 -5.313 1.00 0.00 N ATOM 666 CA ARG A 43 18.448 25.985 -4.854 1.00 0.00 C ATOM 667 C ARG A 43 18.599 26.110 -3.335 1.00 0.00 C ATOM 668 O ARG A 43 19.242 27.049 -2.899 1.00 0.00 O ATOM 669 CB ARG A 43 18.106 27.355 -5.504 1.00 0.00 C ATOM 670 CG ARG A 43 18.868 28.681 -5.202 1.00 0.00 C ATOM 671 CD ARG A 43 18.041 29.816 -4.532 1.00 0.00 C ATOM 672 NE ARG A 43 18.181 29.751 -3.064 1.00 0.00 N ATOM 673 CZ ARG A 43 17.657 30.569 -2.170 1.00 0.00 C ATOM 674 NH1 ARG A 43 16.736 31.439 -2.450 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.026 30.557 -0.930 1.00 0.00 N ATOM 0 H ARG A 43 17.853 24.297 -5.989 1.00 0.00 H new ATOM 0 HA ARG A 43 19.426 25.640 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.173 27.205 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.058 27.548 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.715 28.449 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.275 29.062 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.381 30.786 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.991 29.723 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 43 18.748 28.986 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.380 31.516 -3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.368 32.046 -1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.742 29.902 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.601 31.203 -0.265 1.00 0.00 H new ATOM 689 N THR A 44 17.940 25.256 -2.544 1.00 0.00 N ATOM 690 CA THR A 44 17.823 25.503 -1.093 1.00 0.00 C ATOM 691 C THR A 44 16.836 26.655 -0.787 1.00 0.00 C ATOM 692 O THR A 44 16.598 26.932 0.387 1.00 0.00 O ATOM 693 CB THR A 44 19.161 25.456 -0.312 1.00 0.00 C ATOM 694 OG1 THR A 44 18.928 25.001 1.007 1.00 0.00 O ATOM 695 CG2 THR A 44 19.950 26.761 -0.250 1.00 0.00 C ATOM 0 H THR A 44 17.486 24.403 -2.870 1.00 0.00 H new ATOM 0 HA THR A 44 17.339 24.634 -0.646 1.00 0.00 H new ATOM 0 HB THR A 44 19.784 24.769 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.094 25.389 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.865 26.606 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.203 27.082 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.346 27.529 0.234 1.00 0.00 H new ATOM 703 N SER A 45 16.264 27.225 -1.881 1.00 0.00 N ATOM 704 CA SER A 45 15.048 28.068 -1.823 1.00 0.00 C ATOM 705 C SER A 45 14.631 28.847 -3.117 1.00 0.00 C ATOM 706 O SER A 45 14.105 29.960 -3.044 1.00 0.00 O ATOM 707 CB SER A 45 14.763 28.803 -0.494 1.00 0.00 C ATOM 708 OG SER A 45 13.539 29.514 -0.468 1.00 0.00 O ATOM 0 H SER A 45 16.635 27.111 -2.824 1.00 0.00 H new ATOM 0 HA SER A 45 14.311 27.265 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.763 28.075 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.578 29.500 -0.297 1.00 0.00 H new ATOM 0 HG SER A 45 13.429 30.007 -1.308 1.00 0.00 H new ATOM 714 N LYS A 46 14.876 28.309 -4.330 1.00 0.00 N ATOM 715 CA LYS A 46 14.108 28.720 -5.554 1.00 0.00 C ATOM 716 C LYS A 46 12.591 28.619 -5.161 1.00 0.00 C ATOM 717 O LYS A 46 11.817 29.546 -5.409 1.00 0.00 O ATOM 718 CB LYS A 46 14.467 27.844 -6.767 1.00 0.00 C ATOM 719 CG LYS A 46 15.638 28.307 -7.666 1.00 0.00 C ATOM 720 CD LYS A 46 16.194 27.099 -8.450 1.00 0.00 C ATOM 721 CE LYS A 46 17.278 27.353 -9.524 1.00 0.00 C ATOM 722 NZ LYS A 46 18.678 27.513 -9.048 1.00 0.00 N ATOM 0 H LYS A 46 15.587 27.598 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 46 14.356 29.735 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.700 26.844 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.578 27.756 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.297 29.077 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.425 28.752 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.603 26.394 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.354 26.605 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.254 26.524 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.003 28.252 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.305 27.677 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.733 28.324 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.976 26.650 -8.550 1.00 0.00 H new ATOM 736 N SER A 47 12.260 27.531 -4.428 1.00 0.00 N ATOM 737 CA SER A 47 11.039 27.450 -3.606 1.00 0.00 C ATOM 738 C SER A 47 9.727 26.898 -4.177 1.00 0.00 C ATOM 739 O SER A 47 8.860 27.615 -4.684 1.00 0.00 O ATOM 740 CB SER A 47 10.801 28.677 -2.715 1.00 0.00 C ATOM 741 OG SER A 47 10.181 28.264 -1.501 1.00 0.00 O ATOM 0 H SER A 47 12.833 26.688 -4.392 1.00 0.00 H new ATOM 0 HA SER A 47 11.353 26.598 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.747 29.175 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.169 29.399 -3.232 1.00 0.00 H new ATOM 0 HG SER A 47 10.029 29.045 -0.929 1.00 0.00 H new ATOM 747 N ARG A 48 9.591 25.575 -4.003 1.00 0.00 N ATOM 748 CA ARG A 48 8.390 24.753 -4.094 1.00 0.00 C ATOM 749 C ARG A 48 8.172 24.110 -2.714 1.00 0.00 C ATOM 750 O ARG A 48 8.818 24.487 -1.732 1.00 0.00 O ATOM 751 CB ARG A 48 8.447 23.801 -5.274 1.00 0.00 C ATOM 752 CG ARG A 48 9.507 22.747 -5.064 1.00 0.00 C ATOM 753 CD ARG A 48 9.468 21.820 -6.246 1.00 0.00 C ATOM 754 NE ARG A 48 8.335 20.882 -6.228 1.00 0.00 N ATOM 755 CZ ARG A 48 8.220 19.732 -6.864 1.00 0.00 C ATOM 756 NH1 ARG A 48 9.198 19.177 -7.518 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.081 19.116 -6.841 1.00 0.00 N ATOM 0 H ARG A 48 10.404 25.004 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 48 7.504 25.347 -4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.476 23.324 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.658 24.358 -6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.491 23.207 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.323 22.198 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.422 22.413 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.398 21.252 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 48 7.539 21.155 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.109 19.633 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.053 18.286 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.292 19.521 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.973 18.226 -7.327 1.00 0.00 H new ATOM 771 N GLY A 49 7.202 23.219 -2.609 1.00 0.00 N ATOM 772 CA GLY A 49 6.927 22.450 -1.386 1.00 0.00 C ATOM 773 C GLY A 49 6.604 20.959 -1.535 1.00 0.00 C ATOM 774 O GLY A 49 5.582 20.642 -2.133 1.00 0.00 O ATOM 0 H GLY A 49 6.568 22.999 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.794 22.541 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.090 22.924 -0.874 1.00 0.00 H new ATOM 778 N PHE A 50 7.441 20.035 -1.050 1.00 0.00 N ATOM 779 CA PHE A 50 7.001 18.623 -0.782 1.00 0.00 C ATOM 780 C PHE A 50 7.483 18.045 0.553 1.00 0.00 C ATOM 781 O PHE A 50 8.631 18.252 0.899 1.00 0.00 O ATOM 782 CB PHE A 50 6.919 17.715 -1.978 1.00 0.00 C ATOM 783 CG PHE A 50 8.148 17.253 -2.651 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.738 18.071 -3.625 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.549 15.932 -2.448 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.769 17.557 -4.416 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.632 15.446 -3.185 1.00 0.00 C ATOM 788 CZ PHE A 50 10.205 16.241 -4.192 1.00 0.00 C ATOM 0 H PHE A 50 8.420 20.217 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 50 5.932 18.703 -0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.367 16.827 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.313 18.224 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.399 19.087 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.035 15.301 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.223 18.162 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.028 14.462 -2.981 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.995 15.833 -4.805 1.00 0.00 H new ATOM 798 N ALA A 51 6.677 17.348 1.353 1.00 0.00 N ATOM 799 CA ALA A 51 6.982 17.162 2.779 1.00 0.00 C ATOM 800 C ALA A 51 7.510 15.790 3.165 1.00 0.00 C ATOM 801 O ALA A 51 7.092 14.778 2.629 1.00 0.00 O ATOM 802 CB ALA A 51 5.734 17.527 3.574 1.00 0.00 C ATOM 0 H ALA A 51 5.812 16.904 1.045 1.00 0.00 H new ATOM 0 HA ALA A 51 7.816 17.821 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.930 17.399 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.468 18.565 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.910 16.878 3.276 1.00 0.00 H new ATOM 808 N PHE A 52 8.536 15.776 4.008 1.00 0.00 N ATOM 809 CA PHE A 52 9.281 14.589 4.389 1.00 0.00 C ATOM 810 C PHE A 52 9.405 14.478 5.928 1.00 0.00 C ATOM 811 O PHE A 52 9.736 15.478 6.566 1.00 0.00 O ATOM 812 CB PHE A 52 10.592 14.651 3.637 1.00 0.00 C ATOM 813 CG PHE A 52 10.580 13.791 2.417 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.896 12.441 2.548 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.215 14.331 1.178 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.865 11.622 1.410 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.214 13.517 0.039 1.00 0.00 C ATOM 818 CZ PHE A 52 10.545 12.158 0.150 1.00 0.00 C ATOM 0 H PHE A 52 8.882 16.623 4.459 1.00 0.00 H new ATOM 0 HA PHE A 52 8.772 13.666 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.797 15.683 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.402 14.336 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.161 12.031 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.935 15.371 1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.089 10.570 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.959 13.935 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.554 11.528 -0.727 1.00 0.00 H new ATOM 828 N ILE A 53 9.132 13.329 6.571 1.00 0.00 N ATOM 829 CA ILE A 53 9.340 13.204 8.039 1.00 0.00 C ATOM 830 C ILE A 53 10.033 11.888 8.410 1.00 0.00 C ATOM 831 O ILE A 53 9.673 10.845 7.866 1.00 0.00 O ATOM 832 CB ILE A 53 8.047 13.515 8.840 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.112 14.806 9.669 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.641 12.365 9.765 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.748 15.307 10.177 1.00 0.00 C ATOM 0 H ILE A 53 8.775 12.488 6.118 1.00 0.00 H new ATOM 0 HA ILE A 53 10.042 13.979 8.347 1.00 0.00 H new ATOM 0 HB ILE A 53 7.294 13.652 8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.766 14.641 10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.570 15.589 9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.731 12.634 10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.461 11.468 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.441 12.174 10.480 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.888 16.222 10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.095 15.508 9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.294 14.546 10.811 1.00 0.00 H new ATOM 847 N THR A 54 11.023 11.925 9.310 1.00 0.00 N ATOM 848 CA THR A 54 11.602 10.698 9.893 1.00 0.00 C ATOM 849 C THR A 54 11.105 10.507 11.324 1.00 0.00 C ATOM 850 O THR A 54 11.132 11.429 12.154 1.00 0.00 O ATOM 851 CB THR A 54 13.138 10.680 9.938 1.00 0.00 C ATOM 852 OG1 THR A 54 13.716 11.288 8.815 1.00 0.00 O ATOM 853 CG2 THR A 54 13.694 9.259 9.970 1.00 0.00 C ATOM 0 H THR A 54 11.443 12.789 9.653 1.00 0.00 H new ATOM 0 HA THR A 54 11.276 9.895 9.232 1.00 0.00 H new ATOM 0 HB THR A 54 13.388 11.226 10.848 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.585 11.668 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.783 9.295 10.001 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.322 8.743 10.855 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.374 8.723 9.076 1.00 0.00 H new ATOM 861 N PHE A 55 10.704 9.266 11.601 1.00 0.00 N ATOM 862 CA PHE A 55 10.137 8.761 12.846 1.00 0.00 C ATOM 863 C PHE A 55 11.172 7.932 13.610 1.00 0.00 C ATOM 864 O PHE A 55 11.856 7.091 13.026 1.00 0.00 O ATOM 865 CB PHE A 55 8.946 7.840 12.544 1.00 0.00 C ATOM 866 CG PHE A 55 7.721 8.511 11.963 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.631 8.761 10.587 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.635 8.828 12.793 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.469 9.332 10.055 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.462 9.376 12.253 1.00 0.00 C ATOM 871 CZ PHE A 55 5.378 9.634 10.880 1.00 0.00 C ATOM 0 H PHE A 55 10.775 8.529 10.900 1.00 0.00 H new ATOM 0 HA PHE A 55 9.825 9.619 13.441 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.276 7.067 11.850 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.657 7.337 13.467 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.458 8.513 9.938 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.703 8.649 13.856 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.413 9.542 8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.624 9.599 12.897 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.480 10.062 10.460 1.00 0.00 H new ATOM 881 N GLU A 56 11.257 8.164 14.925 1.00 0.00 N ATOM 882 CA GLU A 56 12.046 7.311 15.834 1.00 0.00 C ATOM 883 C GLU A 56 11.947 5.781 15.589 1.00 0.00 C ATOM 884 O GLU A 56 12.952 5.090 15.779 1.00 0.00 O ATOM 885 CB GLU A 56 11.691 7.659 17.291 1.00 0.00 C ATOM 886 CG GLU A 56 11.962 9.137 17.634 1.00 0.00 C ATOM 887 CD GLU A 56 11.861 9.406 19.151 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.689 8.870 19.928 1.00 0.00 O ATOM 889 OE2 GLU A 56 10.972 10.181 19.579 1.00 0.00 O ATOM 0 H GLU A 56 10.787 8.940 15.390 1.00 0.00 H new ATOM 0 HA GLU A 56 13.090 7.539 15.617 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.638 7.437 17.467 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.268 7.023 17.963 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.955 9.415 17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.248 9.769 17.105 1.00 0.00 H new ATOM 896 N ASN A 57 10.803 5.256 15.112 1.00 0.00 N ATOM 897 CA ASN A 57 10.716 3.861 14.629 1.00 0.00 C ATOM 898 C ASN A 57 9.959 3.764 13.282 1.00 0.00 C ATOM 899 O ASN A 57 9.006 4.516 13.047 1.00 0.00 O ATOM 900 CB ASN A 57 10.019 2.954 15.662 1.00 0.00 C ATOM 901 CG ASN A 57 10.455 3.147 17.106 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.537 2.750 17.517 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.611 3.721 17.931 1.00 0.00 N ATOM 0 H ASN A 57 9.927 5.774 15.050 1.00 0.00 H new ATOM 0 HA ASN A 57 11.741 3.521 14.482 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.944 3.123 15.600 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.195 1.915 15.384 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.857 3.836 18.914 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.709 4.052 17.589 1.00 0.00 H new ATOM 910 N PRO A 58 10.298 2.775 12.429 1.00 0.00 N ATOM 911 CA PRO A 58 9.627 2.508 11.148 1.00 0.00 C ATOM 912 C PRO A 58 8.176 2.047 11.336 1.00 0.00 C ATOM 913 O PRO A 58 7.293 2.406 10.554 1.00 0.00 O ATOM 914 CB PRO A 58 10.483 1.438 10.459 1.00 0.00 C ATOM 915 CG PRO A 58 11.122 0.705 11.639 1.00 0.00 C ATOM 916 CD PRO A 58 11.350 1.802 12.663 1.00 0.00 C ATOM 0 HA PRO A 58 9.551 3.413 10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.879 0.769 9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.233 1.880 9.803 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.468 -0.076 12.027 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.057 0.224 11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.301 1.408 13.678 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.335 2.253 12.543 1.00 0.00 H new ATOM 924 N ALA A 59 7.936 1.310 12.426 1.00 0.00 N ATOM 925 CA ALA A 59 6.587 0.999 12.882 1.00 0.00 C ATOM 926 C ALA A 59 5.661 2.213 12.850 1.00 0.00 C ATOM 927 O ALA A 59 4.618 2.235 12.203 1.00 0.00 O ATOM 928 CB ALA A 59 6.728 0.546 14.346 1.00 0.00 C ATOM 0 H ALA A 59 8.672 0.916 13.012 1.00 0.00 H new ATOM 0 HA ALA A 59 6.152 0.243 12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.745 0.298 14.746 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.372 -0.332 14.395 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.167 1.351 14.935 1.00 0.00 H new ATOM 934 N ASP A 60 6.060 3.200 13.640 1.00 0.00 N ATOM 935 CA ASP A 60 5.306 4.419 13.797 1.00 0.00 C ATOM 936 C ASP A 60 5.142 5.253 12.517 1.00 0.00 C ATOM 937 O ASP A 60 4.113 5.893 12.304 1.00 0.00 O ATOM 938 CB ASP A 60 5.932 5.182 14.937 1.00 0.00 C ATOM 939 CG ASP A 60 6.000 4.416 16.268 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.952 3.918 16.743 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.104 4.346 16.851 1.00 0.00 O ATOM 0 H ASP A 60 6.920 3.170 14.188 1.00 0.00 H new ATOM 0 HA ASP A 60 4.271 4.166 14.028 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.943 5.472 14.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.368 6.102 15.092 1.00 0.00 H new ATOM 946 N ALA A 61 6.159 5.223 11.653 1.00 0.00 N ATOM 947 CA ALA A 61 6.039 5.774 10.302 1.00 0.00 C ATOM 948 C ALA A 61 4.857 5.148 9.558 1.00 0.00 C ATOM 949 O ALA A 61 3.972 5.826 9.038 1.00 0.00 O ATOM 950 CB ALA A 61 7.360 5.493 9.570 1.00 0.00 C ATOM 0 H ALA A 61 7.073 4.824 11.865 1.00 0.00 H new ATOM 0 HA ALA A 61 5.851 6.847 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.306 5.891 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.181 5.971 10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.531 4.417 9.529 1.00 0.00 H new ATOM 956 N LYS A 62 4.883 3.821 9.515 1.00 0.00 N ATOM 957 CA LYS A 62 3.845 2.970 8.908 1.00 0.00 C ATOM 958 C LYS A 62 2.455 3.231 9.484 1.00 0.00 C ATOM 959 O LYS A 62 1.467 3.295 8.762 1.00 0.00 O ATOM 960 CB LYS A 62 4.274 1.495 8.974 1.00 0.00 C ATOM 961 CG LYS A 62 3.589 0.669 7.879 1.00 0.00 C ATOM 962 CD LYS A 62 4.320 -0.665 7.665 1.00 0.00 C ATOM 963 CE LYS A 62 3.822 -1.373 6.401 1.00 0.00 C ATOM 964 NZ LYS A 62 4.307 -0.723 5.155 1.00 0.00 N ATOM 0 H LYS A 62 5.651 3.281 9.914 1.00 0.00 H new ATOM 0 HA LYS A 62 3.752 3.237 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.356 1.423 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.025 1.084 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.552 0.480 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.573 1.234 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.392 -0.487 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.167 -1.310 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.151 -2.412 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.732 -1.384 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.567 -0.774 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.534 0.273 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.160 -1.213 4.817 1.00 0.00 H new ATOM 978 N ASN A 63 2.407 3.365 10.802 1.00 0.00 N ATOM 979 CA ASN A 63 1.209 3.764 11.507 1.00 0.00 C ATOM 980 C ASN A 63 0.626 5.086 11.014 1.00 0.00 C ATOM 981 O ASN A 63 -0.501 5.108 10.533 1.00 0.00 O ATOM 982 CB ASN A 63 1.656 3.818 12.959 1.00 0.00 C ATOM 983 CG ASN A 63 0.571 3.581 13.969 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.335 2.780 13.798 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.676 4.230 15.092 1.00 0.00 N ATOM 0 H ASN A 63 3.207 3.197 11.412 1.00 0.00 H new ATOM 0 HA ASN A 63 0.385 3.068 11.346 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.439 3.075 13.110 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.101 4.794 13.150 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.001 4.072 15.838 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.436 4.897 15.226 1.00 0.00 H new ATOM 992 N ALA A 64 1.404 6.171 11.118 1.00 0.00 N ATOM 993 CA ALA A 64 0.993 7.474 10.606 1.00 0.00 C ATOM 994 C ALA A 64 0.619 7.428 9.112 1.00 0.00 C ATOM 995 O ALA A 64 -0.365 8.046 8.708 1.00 0.00 O ATOM 996 CB ALA A 64 2.078 8.485 10.988 1.00 0.00 C ATOM 0 H ALA A 64 2.325 6.166 11.555 1.00 0.00 H new ATOM 0 HA ALA A 64 0.061 7.802 11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.801 9.473 10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.179 8.518 12.073 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.027 8.185 10.544 1.00 0.00 H new ATOM 1002 N ALA A 65 1.338 6.642 8.302 1.00 0.00 N ATOM 1003 CA ALA A 65 0.916 6.347 6.931 1.00 0.00 C ATOM 1004 C ALA A 65 -0.495 5.752 6.849 1.00 0.00 C ATOM 1005 O ALA A 65 -1.377 6.348 6.238 1.00 0.00 O ATOM 1006 CB ALA A 65 1.957 5.464 6.223 1.00 0.00 C ATOM 0 H ALA A 65 2.216 6.199 8.574 1.00 0.00 H new ATOM 0 HA ALA A 65 0.860 7.299 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.626 5.256 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.915 5.983 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.069 4.526 6.767 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.691 4.579 7.453 1.00 0.00 N ATOM 1013 CA LYS A 66 -1.917 3.766 7.464 1.00 0.00 C ATOM 1014 C LYS A 66 -3.116 4.554 7.974 1.00 0.00 C ATOM 1015 O LYS A 66 -4.209 4.469 7.423 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.660 2.479 8.270 1.00 0.00 C ATOM 1017 CG LYS A 66 -2.837 1.489 8.243 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.500 0.235 9.067 1.00 0.00 C ATOM 1019 CE LYS A 66 -3.655 -0.776 9.109 1.00 0.00 C ATOM 1020 NZ LYS A 66 -3.853 -1.468 7.808 1.00 0.00 N ATOM 0 H LYS A 66 0.056 4.136 7.988 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.173 3.484 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.772 1.985 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.444 2.745 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.731 1.966 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.060 1.207 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.617 -0.246 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.245 0.532 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.458 -1.516 9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.575 -0.261 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.643 -2.139 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.068 -0.767 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.986 -1.983 7.553 1.00 0.00 H new ATOM 1034 N ASP A 67 -2.870 5.341 9.015 1.00 0.00 N ATOM 1035 CA ASP A 67 -3.828 6.335 9.492 1.00 0.00 C ATOM 1036 C ASP A 67 -4.269 7.316 8.397 1.00 0.00 C ATOM 1037 O ASP A 67 -5.447 7.469 8.074 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.109 7.132 10.594 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.048 7.887 11.551 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.255 7.554 11.635 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.571 8.827 12.222 1.00 0.00 O ATOM 0 H ASP A 67 -2.003 5.309 9.552 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.725 5.823 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.492 6.448 11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.435 7.849 10.125 1.00 0.00 H new ATOM 1046 N MET A 68 -3.249 8.022 7.917 1.00 0.00 N ATOM 1047 CA MET A 68 -3.435 9.187 7.025 1.00 0.00 C ATOM 1048 C MET A 68 -3.913 8.860 5.609 1.00 0.00 C ATOM 1049 O MET A 68 -5.105 8.954 5.333 1.00 0.00 O ATOM 1050 CB MET A 68 -2.203 10.077 7.041 1.00 0.00 C ATOM 1051 CG MET A 68 -2.003 10.821 8.370 1.00 0.00 C ATOM 1052 SD MET A 68 -3.242 12.112 8.703 1.00 0.00 S ATOM 1053 CE MET A 68 -4.366 11.245 9.835 1.00 0.00 C ATOM 0 H MET A 68 -2.273 7.813 8.127 1.00 0.00 H new ATOM 0 HA MET A 68 -4.272 9.745 7.444 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.322 9.468 6.838 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.280 10.805 6.234 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.023 10.097 9.184 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.012 11.276 8.372 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.874 11.971 10.470 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.104 10.687 9.259 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.795 10.556 10.457 1.00 0.00 H new ATOM 1063 N ASN A 69 -2.939 8.530 4.738 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.200 7.932 3.409 1.00 0.00 C ATOM 1065 C ASN A 69 -4.188 8.578 2.399 1.00 0.00 C ATOM 1066 O ASN A 69 -4.315 8.098 1.271 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.476 6.442 3.664 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.934 6.124 3.941 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.751 5.931 3.052 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.300 6.084 5.197 1.00 0.00 N ATOM 0 H ASN A 69 -1.948 8.670 4.934 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.302 8.143 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.148 5.868 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.875 6.111 4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.272 5.891 5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.613 6.246 5.934 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.811 9.694 2.759 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.848 10.405 2.000 1.00 0.00 C ATOM 1079 C GLY A 70 -6.806 11.212 2.876 1.00 0.00 C ATOM 1080 O GLY A 70 -7.970 11.412 2.517 1.00 0.00 O ATOM 0 H GLY A 70 -4.597 10.160 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.368 11.076 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.422 9.682 1.420 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.290 11.674 4.025 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.005 12.650 4.840 1.00 0.00 C ATOM 1086 C LYS A 71 -6.822 14.012 4.160 1.00 0.00 C ATOM 1087 O LYS A 71 -6.161 14.117 3.124 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.355 12.547 6.233 1.00 0.00 C ATOM 1089 CG LYS A 71 -6.937 13.406 7.371 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.430 13.135 7.634 1.00 0.00 C ATOM 1091 CE LYS A 71 -8.920 13.960 8.832 1.00 0.00 C ATOM 1092 NZ LYS A 71 -10.347 13.679 9.147 1.00 0.00 N ATOM 0 H LYS A 71 -5.387 11.386 4.403 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.079 12.491 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.401 11.504 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.301 12.802 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.374 13.217 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.803 14.460 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.013 13.386 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.585 12.074 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.304 13.737 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.797 15.022 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.643 14.254 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.937 13.915 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.460 12.671 9.376 1.00 0.00 H new ATOM 1106 N SER A 72 -7.389 15.078 4.705 1.00 0.00 N ATOM 1107 CA SER A 72 -7.406 16.367 4.028 1.00 0.00 C ATOM 1108 C SER A 72 -7.454 17.491 5.034 1.00 0.00 C ATOM 1109 O SER A 72 -8.277 17.481 5.955 1.00 0.00 O ATOM 1110 CB SER A 72 -8.586 16.367 3.053 1.00 0.00 C ATOM 1111 OG SER A 72 -8.704 17.598 2.363 1.00 0.00 O ATOM 0 H SER A 72 -7.845 15.076 5.617 1.00 0.00 H new ATOM 0 HA SER A 72 -6.492 16.529 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.461 15.558 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.508 16.168 3.599 1.00 0.00 H new ATOM 0 HG SER A 72 -9.467 17.557 1.750 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.496 18.410 4.883 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.209 19.380 5.960 1.00 0.00 C ATOM 1119 C LEU A 73 -5.549 20.723 5.604 1.00 0.00 C ATOM 1120 O LEU A 73 -5.345 21.545 6.500 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.522 18.646 7.141 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.078 18.111 7.053 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.711 17.213 5.883 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.018 19.220 7.134 1.00 0.00 C ATOM 0 H LEU A 73 -5.915 18.508 4.050 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.192 19.752 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.552 19.327 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.156 17.795 7.391 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.072 17.472 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.664 16.921 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.339 16.322 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.867 17.751 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.024 18.779 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.161 19.921 6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.116 19.749 8.082 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.282 21.000 4.326 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.892 22.341 3.852 1.00 0.00 C ATOM 1138 C HIS A 74 -5.810 22.792 2.700 1.00 0.00 C ATOM 1139 O HIS A 74 -5.368 23.232 1.643 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.377 22.439 3.597 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.802 21.628 2.465 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.387 22.134 1.255 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.386 20.327 2.523 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.715 21.169 0.604 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.691 20.041 1.339 1.00 0.00 N ATOM 0 H HIS A 74 -5.329 20.302 3.584 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.057 23.076 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.135 23.486 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.863 22.147 4.513 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.560 23.079 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.562 19.640 3.338 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.260 21.282 -0.369 1.00 0.00 H new ATOM 1153 N GLY A 75 -7.125 22.585 2.880 1.00 0.00 N ATOM 1154 CA GLY A 75 -8.098 22.732 1.785 1.00 0.00 C ATOM 1155 C GLY A 75 -7.867 21.733 0.639 1.00 0.00 C ATOM 1156 O GLY A 75 -8.374 21.938 -0.468 1.00 0.00 O ATOM 0 H GLY A 75 -7.538 22.316 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.105 22.597 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.044 23.747 1.392 1.00 0.00 H new ATOM 1160 N LYS A 76 -7.081 20.677 0.918 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.642 19.724 -0.091 1.00 0.00 C ATOM 1162 C LYS A 76 -6.220 18.504 0.703 1.00 0.00 C ATOM 1163 O LYS A 76 -5.823 18.581 1.876 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.409 20.188 -0.895 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.711 21.300 -1.908 1.00 0.00 C ATOM 1166 CD LYS A 76 -4.621 21.432 -2.981 1.00 0.00 C ATOM 1167 CE LYS A 76 -5.104 22.422 -4.050 1.00 0.00 C ATOM 1168 NZ LYS A 76 -4.145 22.550 -5.177 1.00 0.00 N ATOM 0 H LYS A 76 -6.737 20.469 1.856 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.445 19.568 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.646 20.540 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.989 19.332 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.668 21.098 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.814 22.249 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.690 21.782 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.413 20.461 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.070 22.095 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.257 23.400 -3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.613 23.018 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.327 23.117 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.823 21.605 -5.467 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.277 17.386 0.014 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.840 16.140 0.561 1.00 0.00 C ATOM 1184 C ALA A 77 -4.315 16.029 0.608 1.00 0.00 C ATOM 1185 O ALA A 77 -3.576 16.594 -0.204 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.473 15.031 -0.261 1.00 0.00 C ATOM 0 H ALA A 77 -6.629 17.325 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.159 16.060 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.159 14.063 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.559 15.111 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.156 15.122 -1.300 1.00 0.00 H new ATOM 1192 N ILE A 78 -3.917 15.181 1.540 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.534 14.695 1.635 1.00 0.00 C ATOM 1194 C ILE A 78 -2.485 13.270 1.115 1.00 0.00 C ATOM 1195 O ILE A 78 -3.331 12.428 1.418 1.00 0.00 O ATOM 1196 CB ILE A 78 -1.947 14.735 3.054 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -2.838 13.959 4.030 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.695 16.205 3.392 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.215 13.845 5.402 1.00 0.00 C ATOM 0 H ILE A 78 -4.537 14.804 2.257 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.923 15.370 1.036 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.989 14.221 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.804 14.456 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.026 12.961 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.276 16.281 4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.994 16.629 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.635 16.755 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.882 13.287 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.261 13.323 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.052 14.842 5.812 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.468 13.008 0.311 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.136 11.644 -0.093 1.00 0.00 C ATOM 1213 C LYS A 79 0.093 11.208 0.688 1.00 0.00 C ATOM 1214 O LYS A 79 1.070 11.950 0.735 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.928 11.616 -1.609 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.586 10.205 -2.098 1.00 0.00 C ATOM 1217 CD LYS A 79 0.927 9.973 -2.224 1.00 0.00 C ATOM 1218 CE LYS A 79 1.277 8.479 -2.262 1.00 0.00 C ATOM 1219 NZ LYS A 79 2.235 8.150 -3.350 1.00 0.00 N ATOM 0 H LYS A 79 -0.853 13.723 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.938 10.941 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.831 11.967 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.126 12.302 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.005 9.474 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.057 10.036 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.294 10.455 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.437 10.444 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.704 8.184 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.365 7.898 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.710 7.251 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.721 8.063 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.945 8.906 -3.428 1.00 0.00 H new ATOM 1233 N VAL A 80 0.037 10.027 1.312 1.00 0.00 N ATOM 1234 CA VAL A 80 1.112 9.534 2.185 1.00 0.00 C ATOM 1235 C VAL A 80 1.799 8.312 1.585 1.00 0.00 C ATOM 1236 O VAL A 80 1.167 7.376 1.101 1.00 0.00 O ATOM 1237 CB VAL A 80 0.617 9.266 3.614 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.794 8.867 4.516 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.092 10.513 4.162 1.00 0.00 C ATOM 0 H VAL A 80 -0.752 9.386 1.228 1.00 0.00 H new ATOM 0 HA VAL A 80 1.858 10.326 2.255 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.095 8.441 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.431 8.680 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.262 7.963 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.526 9.674 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.441 10.317 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.604 11.352 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.943 10.757 3.526 1.00 0.00 H new ATOM 1249 N GLU A 81 3.123 8.383 1.584 1.00 0.00 N ATOM 1250 CA GLU A 81 4.076 7.495 0.935 1.00 0.00 C ATOM 1251 C GLU A 81 5.235 7.154 1.884 1.00 0.00 C ATOM 1252 O GLU A 81 5.668 8.001 2.667 1.00 0.00 O ATOM 1253 CB GLU A 81 4.561 8.168 -0.357 1.00 0.00 C ATOM 1254 CG GLU A 81 5.426 7.270 -1.242 1.00 0.00 C ATOM 1255 CD GLU A 81 4.675 5.987 -1.636 1.00 0.00 C ATOM 1256 OE1 GLU A 81 3.866 6.038 -2.595 1.00 0.00 O ATOM 1257 OE2 GLU A 81 4.843 4.954 -0.946 1.00 0.00 O ATOM 0 H GLU A 81 3.600 9.133 2.084 1.00 0.00 H new ATOM 0 HA GLU A 81 3.600 6.548 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.694 8.498 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.130 9.061 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.718 7.814 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.343 7.010 -0.714 1.00 0.00 H new ATOM 1264 N GLN A 82 5.772 5.936 1.807 1.00 0.00 N ATOM 1265 CA GLN A 82 6.934 5.525 2.602 1.00 0.00 C ATOM 1266 C GLN A 82 8.130 5.552 1.648 1.00 0.00 C ATOM 1267 O GLN A 82 8.165 4.886 0.609 1.00 0.00 O ATOM 1268 CB GLN A 82 6.702 4.152 3.237 1.00 0.00 C ATOM 1269 CG GLN A 82 5.892 4.368 4.516 1.00 0.00 C ATOM 1270 CD GLN A 82 5.680 3.100 5.325 1.00 0.00 C ATOM 1271 OE1 GLN A 82 4.912 2.208 4.983 1.00 0.00 O ATOM 1272 NE2 GLN A 82 6.359 2.982 6.442 1.00 0.00 N ATOM 0 H GLN A 82 5.415 5.205 1.192 1.00 0.00 H new ATOM 0 HA GLN A 82 7.116 6.196 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.166 3.497 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.652 3.668 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.401 5.105 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.921 4.788 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.999 3.722 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.247 2.150 7.022 1.00 0.00 H new ATOM 1281 N ALA A 83 9.039 6.472 1.973 1.00 0.00 N ATOM 1282 CA ALA A 83 10.118 6.931 1.091 1.00 0.00 C ATOM 1283 C ALA A 83 11.054 5.855 0.494 1.00 0.00 C ATOM 1284 O ALA A 83 11.246 4.780 1.072 1.00 0.00 O ATOM 1285 CB ALA A 83 10.913 8.005 1.830 1.00 0.00 C ATOM 0 H ALA A 83 9.047 6.933 2.883 1.00 0.00 H new ATOM 0 HA ALA A 83 9.621 7.319 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.722 8.362 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.255 8.837 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.330 7.584 2.745 1.00 0.00 H new ATOM 1291 N LYS A 84 11.675 6.193 -0.654 1.00 0.00 N ATOM 1292 CA LYS A 84 12.453 5.208 -1.440 1.00 0.00 C ATOM 1293 C LYS A 84 13.742 5.776 -2.065 1.00 0.00 C ATOM 1294 O LYS A 84 14.827 5.439 -1.588 1.00 0.00 O ATOM 1295 CB LYS A 84 11.508 4.571 -2.485 1.00 0.00 C ATOM 1296 CG LYS A 84 11.631 3.044 -2.573 1.00 0.00 C ATOM 1297 CD LYS A 84 13.032 2.496 -2.887 1.00 0.00 C ATOM 1298 CE LYS A 84 13.892 2.211 -1.645 1.00 0.00 C ATOM 1299 NZ LYS A 84 15.063 1.352 -1.969 1.00 0.00 N ATOM 0 H LYS A 84 11.655 7.130 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 84 12.823 4.441 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.479 4.831 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.719 5.001 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.300 2.618 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.943 2.688 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.929 1.576 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.556 3.211 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.239 3.153 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.282 1.723 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.618 1.182 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.732 0.444 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.659 1.829 -2.676 1.00 0.00 H new ATOM 1313 N LYS A 85 13.636 6.614 -3.109 1.00 0.00 N ATOM 1314 CA LYS A 85 14.809 7.039 -3.917 1.00 0.00 C ATOM 1315 C LYS A 85 14.555 8.396 -4.609 1.00 0.00 C ATOM 1316 O LYS A 85 13.477 8.555 -5.187 1.00 0.00 O ATOM 1317 CB LYS A 85 15.068 5.999 -5.037 1.00 0.00 C ATOM 1318 CG LYS A 85 16.046 4.874 -4.657 1.00 0.00 C ATOM 1319 CD LYS A 85 16.101 3.752 -5.709 1.00 0.00 C ATOM 1320 CE LYS A 85 16.596 4.223 -7.085 1.00 0.00 C ATOM 1321 NZ LYS A 85 16.613 3.104 -8.066 1.00 0.00 N ATOM 0 H LYS A 85 12.751 7.016 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 85 15.659 7.123 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.117 5.552 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.456 6.518 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.043 5.294 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.751 4.451 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.756 2.959 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.107 3.319 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.951 5.021 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.598 4.641 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.952 3.453 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.247 2.354 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.652 2.722 -8.174 1.00 0.00 H new ATOM 1335 N PRO A 86 15.535 9.327 -4.638 1.00 0.00 N ATOM 1336 CA PRO A 86 15.457 10.579 -5.396 1.00 0.00 C ATOM 1337 C PRO A 86 16.132 10.549 -6.785 1.00 0.00 C ATOM 1338 O PRO A 86 16.011 11.512 -7.542 1.00 0.00 O ATOM 1339 CB PRO A 86 16.163 11.585 -4.495 1.00 0.00 C ATOM 1340 CG PRO A 86 17.319 10.771 -3.930 1.00 0.00 C ATOM 1341 CD PRO A 86 16.687 9.384 -3.741 1.00 0.00 C ATOM 0 HA PRO A 86 14.417 10.812 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.513 12.453 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.506 11.956 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.167 10.741 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.683 11.183 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.402 8.596 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.380 9.235 -2.706 1.00 0.00 H new