USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1006 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 49 GLN : amide:sc= -0.491 K(o=-1.8,f=-2.7) USER MOD Set 1.2: B 45 MET CE :methyl -168:sc= -1.04 (180deg=-1.71) USER MOD Set 1.3: B 49 GLN : amide:sc= 0.0399 K(o=-1.8,f=-3.1) USER MOD Set 1.4: B 50 ASN : amide:sc= -0.323 X(o=-1.8,f=-2.2) USER MOD Set 2.1: A 50 ASN : amide:sc= -2.55! X(o=-5.8!,f=-6.1) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 165:sc= -3.29! (180deg=-4.46!) USER MOD Set 3.1: A 45 MET CE :methyl -111:sc= -0.797 (180deg=-1.19) USER MOD Set 3.2: B 61 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 4.1: A 25 LYS NZ :NH3+ 149:sc= 0.701 (180deg=0) USER MOD Set 4.2: A 28 SER OG : rot -60:sc= 1.17 USER MOD Set 5.1: A 12 THR OG1 : rot 85:sc= -1 USER MOD Set 5.2: B 35 MET CE :methyl -117:sc= -3.09! (180deg=-3.87!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0846 (180deg=-0.481) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HE2:sc= -0.0503 F(o=-0.82,f=-0.05) USER MOD Single : A 23 THR OG1 : rot -77:sc= -0.232 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 165:sc= -2.51! (180deg=-2.79!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= -0.0126 (180deg=-0.142) USER MOD Single : A 66 SER OG : rot 87:sc= 0.166 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -157:sc= -0.0419 (180deg=-0.3) USER MOD Single : B 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0396) USER MOD Single : B 12 THR OG1 : rot -130:sc= 0.354 USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.42) USER MOD Single : B 23 THR OG1 : rot -70:sc= -0.415 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -62:sc= -0.0567 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.2!) USER MOD Single : B 36 THR OG1 : rot -86:sc= 0.053 USER MOD Single : B 51 LYS NZ :NH3+ -124:sc= -6.83! (180deg=-10.4!) USER MOD Single : B 53 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.21) USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 19:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 135 N LYS A 9 2.093 10.676 -14.848 1.00 0.00 N ATOM 136 CA LYS A 9 1.747 9.434 -14.165 1.00 0.00 C ATOM 137 C LYS A 9 1.457 8.331 -15.173 1.00 0.00 C ATOM 138 O LYS A 9 0.838 8.573 -16.209 1.00 0.00 O ATOM 139 CB LYS A 9 0.534 9.649 -13.269 1.00 0.00 C ATOM 140 CG LYS A 9 -0.668 10.110 -14.046 1.00 0.00 C ATOM 141 CD LYS A 9 -1.468 11.161 -13.288 1.00 0.00 C ATOM 142 CE LYS A 9 -2.903 10.712 -13.054 1.00 0.00 C ATOM 143 NZ LYS A 9 -3.357 11.008 -11.667 1.00 0.00 N ATOM 0 HA LYS A 9 2.595 9.131 -13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.296 8.719 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.775 10.387 -12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.346 10.520 -15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.308 9.255 -14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.989 11.363 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.465 12.096 -13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.560 11.211 -13.766 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.984 9.641 -13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.339 10.687 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.745 10.511 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.304 12.032 -11.496 1.00 0.00 H new ATOM 157 N LYS A 10 1.906 7.119 -14.867 1.00 0.00 N ATOM 158 CA LYS A 10 1.688 5.986 -15.756 1.00 0.00 C ATOM 159 C LYS A 10 0.982 4.862 -15.006 1.00 0.00 C ATOM 160 O LYS A 10 1.264 4.623 -13.837 1.00 0.00 O ATOM 161 CB LYS A 10 3.029 5.500 -16.318 1.00 0.00 C ATOM 162 CG LYS A 10 3.782 6.554 -17.112 1.00 0.00 C ATOM 163 CD LYS A 10 5.240 6.641 -16.681 1.00 0.00 C ATOM 164 CE LYS A 10 6.142 7.031 -17.842 1.00 0.00 C ATOM 165 NZ LYS A 10 7.283 7.879 -17.400 1.00 0.00 N ATOM 0 H LYS A 10 2.420 6.897 -14.015 1.00 0.00 H new ATOM 0 HA LYS A 10 1.055 6.298 -16.586 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.657 5.163 -15.493 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.852 4.635 -16.957 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.729 6.317 -18.175 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.303 7.524 -16.977 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.340 7.372 -15.879 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.559 5.680 -16.278 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.524 6.131 -18.323 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.559 7.569 -18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.873 8.123 -18.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.919 8.750 -16.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.855 7.357 -16.706 1.00 0.00 H new ATOM 179 N LYS A 11 0.058 4.170 -15.662 1.00 0.00 N ATOM 180 CA LYS A 11 -0.652 3.087 -14.993 1.00 0.00 C ATOM 181 C LYS A 11 0.331 1.996 -14.595 1.00 0.00 C ATOM 182 O LYS A 11 0.847 1.270 -15.446 1.00 0.00 O ATOM 183 CB LYS A 11 -1.751 2.505 -15.885 1.00 0.00 C ATOM 184 CG LYS A 11 -2.683 3.555 -16.466 1.00 0.00 C ATOM 185 CD LYS A 11 -3.328 4.394 -15.374 1.00 0.00 C ATOM 186 CE LYS A 11 -4.217 5.479 -15.957 1.00 0.00 C ATOM 187 NZ LYS A 11 -3.476 6.356 -16.905 1.00 0.00 N ATOM 0 H LYS A 11 -0.212 4.333 -16.632 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.127 3.493 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.289 1.950 -16.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.337 1.791 -15.306 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.126 4.203 -17.143 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.458 3.068 -17.057 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.918 3.751 -14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.553 4.850 -14.758 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.060 5.019 -16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.628 6.084 -15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.020 7.227 -17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.549 6.599 -16.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.341 5.856 -17.807 1.00 0.00 H new ATOM 201 N THR A 12 0.604 1.898 -13.298 1.00 0.00 N ATOM 202 CA THR A 12 1.545 0.908 -12.799 1.00 0.00 C ATOM 203 C THR A 12 0.828 -0.269 -12.147 1.00 0.00 C ATOM 204 O THR A 12 -0.134 -0.084 -11.406 1.00 0.00 O ATOM 205 CB THR A 12 2.507 1.547 -11.799 1.00 0.00 C ATOM 206 OG1 THR A 12 3.177 2.649 -12.383 1.00 0.00 O ATOM 207 CG2 THR A 12 3.560 0.589 -11.286 1.00 0.00 C ATOM 0 H THR A 12 0.188 2.490 -12.579 1.00 0.00 H new ATOM 0 HA THR A 12 2.108 0.530 -13.652 1.00 0.00 H new ATOM 0 HB THR A 12 1.886 1.861 -10.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.618 3.450 -12.306 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.210 1.107 -10.580 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.076 -0.250 -10.786 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.154 0.219 -12.122 1.00 0.00 H new ATOM 215 N THR A 13 1.306 -1.480 -12.419 1.00 0.00 N ATOM 216 CA THR A 13 0.701 -2.676 -11.843 1.00 0.00 C ATOM 217 C THR A 13 1.658 -3.392 -10.902 1.00 0.00 C ATOM 218 O THR A 13 2.869 -3.422 -11.122 1.00 0.00 O ATOM 219 CB THR A 13 0.246 -3.648 -12.931 1.00 0.00 C ATOM 220 OG1 THR A 13 -0.025 -2.966 -14.142 1.00 0.00 O ATOM 221 CG2 THR A 13 -0.993 -4.420 -12.543 1.00 0.00 C ATOM 0 H THR A 13 2.104 -1.658 -13.029 1.00 0.00 H new ATOM 0 HA THR A 13 -0.167 -2.342 -11.275 1.00 0.00 H new ATOM 0 HB THR A 13 1.071 -4.349 -13.062 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.313 -3.610 -14.823 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.270 -5.094 -13.353 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.794 -4.999 -11.641 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.811 -3.725 -12.354 1.00 0.00 H new ATOM 229 N LEU A 14 1.089 -3.984 -9.863 1.00 0.00 N ATOM 230 CA LEU A 14 1.853 -4.731 -8.877 1.00 0.00 C ATOM 231 C LEU A 14 1.048 -5.949 -8.454 1.00 0.00 C ATOM 232 O LEU A 14 -0.158 -5.845 -8.238 1.00 0.00 O ATOM 233 CB LEU A 14 2.170 -3.866 -7.648 1.00 0.00 C ATOM 234 CG LEU A 14 2.105 -2.349 -7.864 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.380 -1.679 -6.708 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.503 -1.772 -8.022 1.00 0.00 C ATOM 0 H LEU A 14 0.086 -3.960 -9.680 1.00 0.00 H new ATOM 0 HA LEU A 14 2.799 -5.038 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.474 -4.131 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.169 -4.121 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 14 1.548 -2.155 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.343 -0.603 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.365 -2.071 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.912 -1.882 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.437 -0.695 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.085 -1.976 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.991 -2.231 -8.882 1.00 0.00 H new ATOM 248 N ALA A 15 1.692 -7.105 -8.345 1.00 0.00 N ATOM 249 CA ALA A 15 0.962 -8.301 -7.961 1.00 0.00 C ATOM 250 C ALA A 15 0.890 -8.444 -6.453 1.00 0.00 C ATOM 251 O ALA A 15 1.772 -9.027 -5.826 1.00 0.00 O ATOM 252 CB ALA A 15 1.601 -9.537 -8.576 1.00 0.00 C ATOM 0 H ALA A 15 2.690 -7.237 -8.512 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.055 -8.204 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.041 -10.423 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.590 -9.450 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.631 -9.625 -8.229 1.00 0.00 H new ATOM 258 N PHE A 16 -0.200 -7.934 -5.896 1.00 0.00 N ATOM 259 CA PHE A 16 -0.465 -8.014 -4.474 1.00 0.00 C ATOM 260 C PHE A 16 -1.922 -7.760 -4.205 1.00 0.00 C ATOM 261 O PHE A 16 -2.676 -7.384 -5.095 1.00 0.00 O ATOM 262 CB PHE A 16 0.368 -7.026 -3.668 1.00 0.00 C ATOM 263 CG PHE A 16 1.830 -7.034 -4.013 1.00 0.00 C ATOM 264 CD1 PHE A 16 2.700 -7.907 -3.383 1.00 0.00 C ATOM 265 CD2 PHE A 16 2.331 -6.169 -4.972 1.00 0.00 C ATOM 266 CE1 PHE A 16 4.045 -7.918 -3.702 1.00 0.00 C ATOM 267 CE2 PHE A 16 3.674 -6.173 -5.295 1.00 0.00 C ATOM 268 CZ PHE A 16 4.532 -7.049 -4.659 1.00 0.00 C ATOM 0 H PHE A 16 -0.927 -7.451 -6.425 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.189 -9.020 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.026 -6.022 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.254 -7.251 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.324 -8.587 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.664 -5.483 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.714 -8.605 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.052 -5.493 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.582 -7.054 -4.910 1.00 0.00 H new ATOM 278 N ASP A 17 -2.296 -7.936 -2.962 1.00 0.00 N ATOM 279 CA ASP A 17 -3.651 -7.699 -2.521 1.00 0.00 C ATOM 280 C ASP A 17 -3.915 -8.485 -1.277 1.00 0.00 C ATOM 281 O ASP A 17 -4.565 -8.011 -0.351 1.00 0.00 O ATOM 282 CB ASP A 17 -4.684 -8.063 -3.579 1.00 0.00 C ATOM 283 CG ASP A 17 -5.190 -6.851 -4.338 1.00 0.00 C ATOM 284 OD1 ASP A 17 -4.503 -5.809 -4.320 1.00 0.00 O ATOM 285 OD2 ASP A 17 -6.275 -6.946 -4.951 1.00 0.00 O ATOM 0 H ASP A 17 -1.667 -8.249 -2.223 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.747 -6.631 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.245 -8.771 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.525 -8.567 -3.103 1.00 0.00 H new ATOM 290 N GLU A 18 -3.399 -9.690 -1.243 1.00 0.00 N ATOM 291 CA GLU A 18 -3.598 -10.511 -0.077 1.00 0.00 C ATOM 292 C GLU A 18 -3.273 -9.698 1.175 1.00 0.00 C ATOM 293 O GLU A 18 -4.148 -9.419 2.003 1.00 0.00 O ATOM 294 CB GLU A 18 -2.735 -11.771 -0.141 1.00 0.00 C ATOM 295 CG GLU A 18 -3.281 -12.924 0.685 1.00 0.00 C ATOM 296 CD GLU A 18 -4.711 -13.274 0.322 1.00 0.00 C ATOM 297 OE1 GLU A 18 -5.386 -13.934 1.139 1.00 0.00 O ATOM 298 OE2 GLU A 18 -5.156 -12.886 -0.778 1.00 0.00 O ATOM 0 H GLU A 18 -2.851 -10.115 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.640 -10.828 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.647 -12.089 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.730 -11.531 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.649 -13.800 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.231 -12.664 1.742 1.00 0.00 H new ATOM 305 N ASP A 19 -2.015 -9.280 1.285 1.00 0.00 N ATOM 306 CA ASP A 19 -1.579 -8.477 2.419 1.00 0.00 C ATOM 307 C ASP A 19 -1.838 -6.996 2.188 1.00 0.00 C ATOM 308 O ASP A 19 -2.375 -6.314 3.059 1.00 0.00 O ATOM 309 CB ASP A 19 -0.094 -8.712 2.703 1.00 0.00 C ATOM 310 CG ASP A 19 0.764 -8.549 1.465 1.00 0.00 C ATOM 311 OD1 ASP A 19 0.886 -9.524 0.694 1.00 0.00 O ATOM 312 OD2 ASP A 19 1.316 -7.446 1.266 1.00 0.00 O ATOM 0 H ASP A 19 -1.283 -9.484 0.604 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.162 -8.790 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.242 -8.013 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.042 -9.716 3.106 1.00 0.00 H new ATOM 317 N VAL A 20 -1.454 -6.496 1.020 1.00 0.00 N ATOM 318 CA VAL A 20 -1.656 -5.090 0.714 1.00 0.00 C ATOM 319 C VAL A 20 -3.140 -4.734 0.736 1.00 0.00 C ATOM 320 O VAL A 20 -3.521 -3.731 1.328 1.00 0.00 O ATOM 321 CB VAL A 20 -1.035 -4.691 -0.642 1.00 0.00 C ATOM 322 CG1 VAL A 20 0.411 -5.145 -0.715 1.00 0.00 C ATOM 323 CG2 VAL A 20 -1.825 -5.271 -1.794 1.00 0.00 C ATOM 0 H VAL A 20 -1.007 -7.037 0.280 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.143 -4.524 1.491 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.068 -3.604 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.835 -4.856 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.980 -4.676 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.458 -6.229 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.365 -4.974 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.831 -6.358 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.849 -4.899 -1.757 1.00 0.00 H new ATOM 333 N TYR A 21 -3.983 -5.562 0.113 1.00 0.00 N ATOM 334 CA TYR A 21 -5.420 -5.293 0.109 1.00 0.00 C ATOM 335 C TYR A 21 -5.972 -5.395 1.525 1.00 0.00 C ATOM 336 O TYR A 21 -6.734 -4.531 1.957 1.00 0.00 O ATOM 337 CB TYR A 21 -6.190 -6.231 -0.831 1.00 0.00 C ATOM 338 CG TYR A 21 -7.439 -5.607 -1.412 1.00 0.00 C ATOM 339 CD1 TYR A 21 -8.631 -5.598 -0.700 1.00 0.00 C ATOM 340 CD2 TYR A 21 -7.424 -5.025 -2.674 1.00 0.00 C ATOM 341 CE1 TYR A 21 -9.774 -5.029 -1.228 1.00 0.00 C ATOM 342 CE2 TYR A 21 -8.563 -4.454 -3.209 1.00 0.00 C ATOM 343 CZ TYR A 21 -9.735 -4.458 -2.483 1.00 0.00 C ATOM 344 OH TYR A 21 -10.872 -3.890 -3.012 1.00 0.00 O ATOM 0 H TYR A 21 -3.702 -6.407 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.560 -4.280 -0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.533 -6.537 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.464 -7.134 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.665 -6.043 0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.508 -5.019 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.693 -5.031 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.535 -4.007 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.675 -3.532 -3.903 1.00 0.00 H new ATOM 354 N HIS A 22 -5.577 -6.439 2.263 1.00 0.00 N ATOM 355 CA HIS A 22 -6.050 -6.585 3.634 1.00 0.00 C ATOM 356 C HIS A 22 -5.552 -5.418 4.474 1.00 0.00 C ATOM 357 O HIS A 22 -6.326 -4.790 5.197 1.00 0.00 O ATOM 358 CB HIS A 22 -5.581 -7.911 4.234 1.00 0.00 C ATOM 359 CG HIS A 22 -6.543 -9.038 4.019 1.00 0.00 C ATOM 360 ND1 HIS A 22 -6.829 -9.761 2.910 1.00 0.00 N flip ATOM 361 CD2 HIS A 22 -7.347 -9.542 5.020 1.00 0.00 C flip ATOM 362 CE1 HIS A 22 -7.790 -10.677 3.259 1.00 0.00 C flip ATOM 363 NE2 HIS A 22 -8.085 -10.525 4.536 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.948 -7.174 1.941 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.140 -6.585 3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.618 -8.178 3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.421 -7.780 5.304 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -6.409 -9.646 1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.370 -9.188 6.040 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.233 -11.405 2.595 1.00 0.00 H new ATOM 372 N THR A 23 -4.263 -5.112 4.361 1.00 0.00 N ATOM 373 CA THR A 23 -3.693 -3.995 5.100 1.00 0.00 C ATOM 374 C THR A 23 -4.335 -2.694 4.640 1.00 0.00 C ATOM 375 O THR A 23 -4.699 -1.841 5.450 1.00 0.00 O ATOM 376 CB THR A 23 -2.184 -3.919 4.911 1.00 0.00 C ATOM 377 OG1 THR A 23 -1.852 -3.812 3.538 1.00 0.00 O ATOM 378 CG2 THR A 23 -1.444 -5.113 5.475 1.00 0.00 C ATOM 0 H THR A 23 -3.601 -5.617 3.771 1.00 0.00 H new ATOM 0 HA THR A 23 -3.894 -4.151 6.160 1.00 0.00 H new ATOM 0 HB THR A 23 -1.872 -3.031 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.942 -4.689 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.374 -4.992 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.635 -5.187 6.546 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.789 -6.021 4.981 1.00 0.00 H new ATOM 386 N LEU A 24 -4.502 -2.560 3.325 1.00 0.00 N ATOM 387 CA LEU A 24 -5.136 -1.377 2.756 1.00 0.00 C ATOM 388 C LEU A 24 -6.517 -1.189 3.374 1.00 0.00 C ATOM 389 O LEU A 24 -7.092 -0.105 3.311 1.00 0.00 O ATOM 390 CB LEU A 24 -5.263 -1.501 1.232 1.00 0.00 C ATOM 391 CG LEU A 24 -4.254 -0.683 0.417 1.00 0.00 C ATOM 392 CD1 LEU A 24 -4.183 0.748 0.921 1.00 0.00 C ATOM 393 CD2 LEU A 24 -2.878 -1.326 0.455 1.00 0.00 C ATOM 0 H LEU A 24 -4.208 -3.254 2.638 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.513 -0.511 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.157 -2.551 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.269 -1.197 0.943 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.597 -0.666 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.461 1.308 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.164 1.214 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.873 0.751 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.180 -0.727 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.531 -1.382 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.934 -2.331 0.036 1.00 0.00 H new ATOM 405 N LYS A 25 -7.047 -2.260 3.961 1.00 0.00 N ATOM 406 CA LYS A 25 -8.360 -2.219 4.576 1.00 0.00 C ATOM 407 C LYS A 25 -8.394 -1.307 5.796 1.00 0.00 C ATOM 408 O LYS A 25 -9.298 -0.483 5.926 1.00 0.00 O ATOM 409 CB LYS A 25 -8.816 -3.627 4.960 1.00 0.00 C ATOM 410 CG LYS A 25 -10.305 -3.729 5.252 1.00 0.00 C ATOM 411 CD LYS A 25 -11.141 -3.204 4.093 1.00 0.00 C ATOM 412 CE LYS A 25 -11.805 -1.881 4.439 1.00 0.00 C ATOM 413 NZ LYS A 25 -11.940 -0.998 3.247 1.00 0.00 N ATOM 0 H LYS A 25 -6.582 -3.166 4.021 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.048 -1.807 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.565 -4.314 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.259 -3.953 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.567 -4.768 5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.539 -3.165 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.508 -3.076 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.904 -3.938 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.791 -2.070 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.220 -1.371 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.789 -0.406 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.100 -0.389 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.025 -1.582 2.390 1.00 0.00 H new ATOM 427 N LEU A 26 -7.417 -1.439 6.693 1.00 0.00 N ATOM 428 CA LEU A 26 -7.397 -0.587 7.879 1.00 0.00 C ATOM 429 C LEU A 26 -7.033 0.830 7.481 1.00 0.00 C ATOM 430 O LEU A 26 -7.663 1.791 7.912 1.00 0.00 O ATOM 431 CB LEU A 26 -6.429 -1.092 8.954 1.00 0.00 C ATOM 432 CG LEU A 26 -6.104 -2.578 8.900 1.00 0.00 C ATOM 433 CD1 LEU A 26 -4.957 -2.810 7.940 1.00 0.00 C ATOM 434 CD2 LEU A 26 -5.765 -3.104 10.287 1.00 0.00 C ATOM 0 H LEU A 26 -6.650 -2.108 6.625 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.396 -0.612 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.498 -0.531 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.851 -0.866 9.933 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.979 -3.122 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.724 -3.874 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.239 -2.464 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.080 -2.259 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.536 -4.168 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.900 -2.568 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.616 -2.953 10.951 1.00 0.00 H new ATOM 446 N VAL A 27 -6.018 0.945 6.639 1.00 0.00 N ATOM 447 CA VAL A 27 -5.571 2.248 6.158 1.00 0.00 C ATOM 448 C VAL A 27 -6.656 2.928 5.351 1.00 0.00 C ATOM 449 O VAL A 27 -6.891 4.124 5.499 1.00 0.00 O ATOM 450 CB VAL A 27 -4.305 2.152 5.290 1.00 0.00 C ATOM 451 CG1 VAL A 27 -3.071 2.552 6.077 1.00 0.00 C ATOM 452 CG2 VAL A 27 -4.146 0.773 4.735 1.00 0.00 C ATOM 0 H VAL A 27 -5.487 0.154 6.273 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.339 2.834 7.047 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.418 2.848 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.191 2.475 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.178 3.580 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.956 1.889 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.244 0.728 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.066 0.058 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.012 0.526 4.121 1.00 0.00 H new ATOM 462 N SER A 28 -7.313 2.177 4.482 1.00 0.00 N ATOM 463 CA SER A 28 -8.354 2.763 3.661 1.00 0.00 C ATOM 464 C SER A 28 -9.514 3.254 4.517 1.00 0.00 C ATOM 465 O SER A 28 -10.118 4.287 4.221 1.00 0.00 O ATOM 466 CB SER A 28 -8.854 1.772 2.608 1.00 0.00 C ATOM 467 OG SER A 28 -9.458 0.643 3.215 1.00 0.00 O ATOM 0 H SER A 28 -7.148 1.182 4.330 1.00 0.00 H new ATOM 0 HA SER A 28 -7.920 3.619 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.573 2.265 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.021 1.450 1.983 1.00 0.00 H new ATOM 0 HG SER A 28 -8.801 0.185 3.780 1.00 0.00 H new ATOM 473 N VAL A 29 -9.812 2.518 5.582 1.00 0.00 N ATOM 474 CA VAL A 29 -10.891 2.882 6.484 1.00 0.00 C ATOM 475 C VAL A 29 -10.433 3.981 7.435 1.00 0.00 C ATOM 476 O VAL A 29 -11.124 4.981 7.634 1.00 0.00 O ATOM 477 CB VAL A 29 -11.367 1.643 7.279 1.00 0.00 C ATOM 478 CG1 VAL A 29 -11.107 1.784 8.772 1.00 0.00 C ATOM 479 CG2 VAL A 29 -12.839 1.367 7.010 1.00 0.00 C ATOM 0 H VAL A 29 -9.318 1.664 5.840 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.728 3.258 5.896 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.782 0.791 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.458 0.890 9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.038 1.907 8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.639 2.656 9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.155 0.492 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.432 2.230 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.986 1.181 5.946 1.00 0.00 H new ATOM 489 N TYR A 30 -9.262 3.776 8.021 1.00 0.00 N ATOM 490 CA TYR A 30 -8.698 4.737 8.959 1.00 0.00 C ATOM 491 C TYR A 30 -8.228 5.999 8.245 1.00 0.00 C ATOM 492 O TYR A 30 -8.175 7.071 8.847 1.00 0.00 O ATOM 493 CB TYR A 30 -7.535 4.116 9.736 1.00 0.00 C ATOM 494 CG TYR A 30 -7.967 3.358 10.970 1.00 0.00 C ATOM 495 CD1 TYR A 30 -8.375 4.032 12.114 1.00 0.00 C ATOM 496 CD2 TYR A 30 -7.967 1.968 10.992 1.00 0.00 C ATOM 497 CE1 TYR A 30 -8.772 3.343 13.245 1.00 0.00 C ATOM 498 CE2 TYR A 30 -8.363 1.272 12.119 1.00 0.00 C ATOM 499 CZ TYR A 30 -8.763 1.964 13.242 1.00 0.00 C ATOM 500 OH TYR A 30 -9.158 1.275 14.365 1.00 0.00 O ATOM 0 H TYR A 30 -8.683 2.951 7.863 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.487 5.012 9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.989 3.440 9.078 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.842 4.905 10.029 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.382 5.112 12.120 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.652 1.423 10.114 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.087 3.882 14.126 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.359 0.192 12.120 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.094 0.312 14.197 1.00 0.00 H new ATOM 510 N LEU A 31 -7.884 5.879 6.963 1.00 0.00 N ATOM 511 CA LEU A 31 -7.424 7.034 6.206 1.00 0.00 C ATOM 512 C LEU A 31 -8.490 7.491 5.213 1.00 0.00 C ATOM 513 O LEU A 31 -8.302 8.481 4.505 1.00 0.00 O ATOM 514 CB LEU A 31 -6.123 6.715 5.451 1.00 0.00 C ATOM 515 CG LEU A 31 -5.021 5.966 6.231 1.00 0.00 C ATOM 516 CD1 LEU A 31 -3.660 6.586 5.949 1.00 0.00 C ATOM 517 CD2 LEU A 31 -5.288 5.952 7.730 1.00 0.00 C ATOM 0 H LEU A 31 -7.915 5.006 6.437 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.232 7.837 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.379 6.122 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.703 7.654 5.090 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.027 4.932 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.893 6.048 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.446 6.523 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.666 7.632 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.487 5.414 8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.330 6.976 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.239 5.456 7.926 1.00 0.00 H new ATOM 529 N ASN A 32 -9.606 6.763 5.152 1.00 0.00 N ATOM 530 CA ASN A 32 -10.682 7.102 4.227 1.00 0.00 C ATOM 531 C ASN A 32 -10.112 7.299 2.829 1.00 0.00 C ATOM 532 O ASN A 32 -10.578 8.140 2.061 1.00 0.00 O ATOM 533 CB ASN A 32 -11.407 8.369 4.690 1.00 0.00 C ATOM 534 CG ASN A 32 -12.793 8.077 5.231 1.00 0.00 C ATOM 535 OD1 ASN A 32 -13.800 8.443 4.624 1.00 0.00 O ATOM 536 ND2 ASN A 32 -12.851 7.413 6.380 1.00 0.00 N ATOM 0 H ASN A 32 -9.785 5.941 5.729 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.403 6.284 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.815 8.862 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.485 9.065 3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.756 7.187 6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.991 7.129 6.849 1.00 0.00 H new ATOM 543 N ARG A 33 -9.080 6.521 2.521 1.00 0.00 N ATOM 544 CA ARG A 33 -8.411 6.608 1.230 1.00 0.00 C ATOM 545 C ARG A 33 -8.441 5.275 0.496 1.00 0.00 C ATOM 546 O ARG A 33 -8.221 4.222 1.092 1.00 0.00 O ATOM 547 CB ARG A 33 -6.956 7.043 1.428 1.00 0.00 C ATOM 548 CG ARG A 33 -6.809 8.481 1.894 1.00 0.00 C ATOM 549 CD ARG A 33 -5.596 9.151 1.266 1.00 0.00 C ATOM 550 NE ARG A 33 -5.951 9.918 0.074 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.614 11.071 0.104 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.997 11.594 1.263 1.00 0.00 N ATOM 553 NH2 ARG A 33 -6.895 11.704 -1.026 1.00 0.00 N ATOM 0 H ARG A 33 -8.688 5.821 3.151 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.943 7.344 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.485 6.384 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.417 6.917 0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.708 9.041 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.717 8.505 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.128 9.811 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.858 8.393 1.003 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.674 9.547 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.783 11.111 2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.505 12.478 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.603 11.307 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.403 12.588 -1.003 1.00 0.00 H new ATOM 567 N ASP A 34 -8.686 5.328 -0.809 1.00 0.00 N ATOM 568 CA ASP A 34 -8.709 4.121 -1.620 1.00 0.00 C ATOM 569 C ASP A 34 -7.359 3.426 -1.524 1.00 0.00 C ATOM 570 O ASP A 34 -6.376 4.033 -1.098 1.00 0.00 O ATOM 571 CB ASP A 34 -9.030 4.458 -3.078 1.00 0.00 C ATOM 572 CG ASP A 34 -10.505 4.310 -3.393 1.00 0.00 C ATOM 573 OD1 ASP A 34 -11.058 3.216 -3.152 1.00 0.00 O ATOM 574 OD2 ASP A 34 -11.108 5.291 -3.880 1.00 0.00 O ATOM 0 H ASP A 34 -8.870 6.189 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.487 3.455 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.717 5.480 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.454 3.806 -3.734 1.00 0.00 H new ATOM 579 N MET A 35 -7.302 2.160 -1.913 1.00 0.00 N ATOM 580 CA MET A 35 -6.059 1.420 -1.852 1.00 0.00 C ATOM 581 C MET A 35 -4.979 2.131 -2.669 1.00 0.00 C ATOM 582 O MET A 35 -3.855 2.315 -2.206 1.00 0.00 O ATOM 583 CB MET A 35 -6.277 -0.009 -2.356 1.00 0.00 C ATOM 584 CG MET A 35 -5.178 -0.502 -3.269 1.00 0.00 C ATOM 585 SD MET A 35 -5.373 -2.234 -3.732 1.00 0.00 S ATOM 586 CE MET A 35 -4.204 -3.014 -2.624 1.00 0.00 C ATOM 0 H MET A 35 -8.097 1.631 -2.271 1.00 0.00 H new ATOM 0 HA MET A 35 -5.722 1.371 -0.817 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.355 -0.679 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.228 -0.057 -2.887 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.160 0.110 -4.171 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.216 -0.370 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.392 -4.087 -2.594 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.190 -2.833 -2.979 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.318 -2.598 -1.623 1.00 0.00 H new ATOM 596 N THR A 36 -5.339 2.533 -3.884 1.00 0.00 N ATOM 597 CA THR A 36 -4.408 3.229 -4.765 1.00 0.00 C ATOM 598 C THR A 36 -3.961 4.544 -4.136 1.00 0.00 C ATOM 599 O THR A 36 -2.795 4.923 -4.234 1.00 0.00 O ATOM 600 CB THR A 36 -5.065 3.494 -6.128 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.209 2.678 -6.302 1.00 0.00 O ATOM 602 CG2 THR A 36 -4.150 3.252 -7.311 1.00 0.00 C ATOM 0 H THR A 36 -6.268 2.389 -4.280 1.00 0.00 H new ATOM 0 HA THR A 36 -3.532 2.597 -4.911 1.00 0.00 H new ATOM 0 HB THR A 36 -5.326 4.552 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.613 2.863 -7.175 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.688 3.461 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.282 3.908 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.821 2.213 -7.310 1.00 0.00 H new ATOM 610 N GLU A 37 -4.891 5.232 -3.486 1.00 0.00 N ATOM 611 CA GLU A 37 -4.585 6.501 -2.838 1.00 0.00 C ATOM 612 C GLU A 37 -3.631 6.288 -1.667 1.00 0.00 C ATOM 613 O GLU A 37 -2.703 7.066 -1.460 1.00 0.00 O ATOM 614 CB GLU A 37 -5.870 7.176 -2.355 1.00 0.00 C ATOM 615 CG GLU A 37 -6.400 8.228 -3.314 1.00 0.00 C ATOM 616 CD GLU A 37 -6.951 7.625 -4.591 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.156 7.294 -4.619 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.179 7.485 -5.563 1.00 0.00 O ATOM 0 H GLU A 37 -5.862 4.933 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.100 7.151 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.636 6.415 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.685 7.639 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.183 8.803 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.600 8.926 -3.561 1.00 0.00 H new ATOM 625 N ILE A 38 -3.869 5.225 -0.906 1.00 0.00 N ATOM 626 CA ILE A 38 -3.034 4.903 0.244 1.00 0.00 C ATOM 627 C ILE A 38 -1.683 4.347 -0.193 1.00 0.00 C ATOM 628 O ILE A 38 -0.642 4.778 0.300 1.00 0.00 O ATOM 629 CB ILE A 38 -3.726 3.874 1.162 1.00 0.00 C ATOM 630 CG1 ILE A 38 -4.748 4.544 2.091 1.00 0.00 C ATOM 631 CG2 ILE A 38 -2.710 3.112 1.997 1.00 0.00 C ATOM 632 CD1 ILE A 38 -4.226 5.795 2.766 1.00 0.00 C ATOM 0 H ILE A 38 -4.635 4.571 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.879 5.831 0.794 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.251 3.174 0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.639 4.797 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.054 3.830 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.227 2.394 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.022 2.583 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.152 3.812 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.002 6.214 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.353 5.546 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.946 6.527 2.009 1.00 0.00 H new ATOM 644 N ILE A 39 -1.694 3.389 -1.117 1.00 0.00 N ATOM 645 CA ILE A 39 -0.449 2.802 -1.588 1.00 0.00 C ATOM 646 C ILE A 39 0.392 3.859 -2.283 1.00 0.00 C ATOM 647 O ILE A 39 1.622 3.831 -2.228 1.00 0.00 O ATOM 648 CB ILE A 39 -0.693 1.625 -2.556 1.00 0.00 C ATOM 649 CG1 ILE A 39 -1.163 2.141 -3.917 1.00 0.00 C ATOM 650 CG2 ILE A 39 -1.703 0.649 -1.969 1.00 0.00 C ATOM 651 CD1 ILE A 39 -0.037 2.336 -4.909 1.00 0.00 C ATOM 0 H ILE A 39 -2.538 3.010 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 39 0.079 2.416 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 39 0.248 1.094 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.886 1.439 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.683 3.089 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.862 -0.174 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.324 0.257 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.648 1.164 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.442 2.703 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.675 3.060 -4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.468 1.385 -5.077 1.00 0.00 H new ATOM 663 N GLU A 40 -0.287 4.796 -2.937 1.00 0.00 N ATOM 664 CA GLU A 40 0.392 5.867 -3.643 1.00 0.00 C ATOM 665 C GLU A 40 0.737 7.003 -2.691 1.00 0.00 C ATOM 666 O GLU A 40 1.723 7.710 -2.900 1.00 0.00 O ATOM 667 CB GLU A 40 -0.465 6.387 -4.797 1.00 0.00 C ATOM 668 CG GLU A 40 -0.611 5.394 -5.940 1.00 0.00 C ATOM 669 CD GLU A 40 0.720 5.022 -6.565 1.00 0.00 C ATOM 670 OE1 GLU A 40 0.742 4.102 -7.408 1.00 0.00 O ATOM 671 OE2 GLU A 40 1.740 5.652 -6.214 1.00 0.00 O ATOM 0 H GLU A 40 -1.305 4.832 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 40 1.317 5.464 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.455 6.641 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.025 7.308 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.100 4.492 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.261 5.819 -6.705 1.00 0.00 H new ATOM 678 N GLU A 41 -0.054 7.175 -1.631 1.00 0.00 N ATOM 679 CA GLU A 41 0.243 8.228 -0.666 1.00 0.00 C ATOM 680 C GLU A 41 1.261 7.721 0.349 1.00 0.00 C ATOM 681 O GLU A 41 2.026 8.495 0.924 1.00 0.00 O ATOM 682 CB GLU A 41 -1.027 8.725 0.036 1.00 0.00 C ATOM 683 CG GLU A 41 -1.561 7.782 1.100 1.00 0.00 C ATOM 684 CD GLU A 41 -1.197 8.221 2.504 1.00 0.00 C ATOM 685 OE1 GLU A 41 -0.386 7.526 3.152 1.00 0.00 O ATOM 686 OE2 GLU A 41 -1.723 9.259 2.958 1.00 0.00 O ATOM 0 H GLU A 41 -0.881 6.616 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 41 0.666 9.077 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.820 9.692 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.803 8.886 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.646 7.719 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.168 6.781 0.923 1.00 0.00 H new ATOM 693 N ALA A 42 1.271 6.403 0.545 1.00 0.00 N ATOM 694 CA ALA A 42 2.198 5.773 1.470 1.00 0.00 C ATOM 695 C ALA A 42 3.580 5.665 0.842 1.00 0.00 C ATOM 696 O ALA A 42 4.594 5.937 1.486 1.00 0.00 O ATOM 697 CB ALA A 42 1.689 4.396 1.866 1.00 0.00 C ATOM 0 H ALA A 42 0.643 5.753 0.071 1.00 0.00 H new ATOM 0 HA ALA A 42 2.271 6.390 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.392 3.934 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.715 4.492 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.594 3.773 0.976 1.00 0.00 H new ATOM 703 N VAL A 43 3.608 5.267 -0.425 1.00 0.00 N ATOM 704 CA VAL A 43 4.859 5.121 -1.161 1.00 0.00 C ATOM 705 C VAL A 43 5.691 6.385 -1.079 1.00 0.00 C ATOM 706 O VAL A 43 6.801 6.387 -0.548 1.00 0.00 O ATOM 707 CB VAL A 43 4.606 4.802 -2.655 1.00 0.00 C ATOM 708 CG1 VAL A 43 3.544 5.699 -3.247 1.00 0.00 C ATOM 709 CG2 VAL A 43 5.882 4.927 -3.466 1.00 0.00 C ATOM 0 H VAL A 43 2.774 5.039 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 43 5.396 4.293 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 43 4.254 3.771 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.396 5.444 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.609 5.562 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.861 6.739 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.673 4.697 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.265 5.945 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.626 4.229 -3.083 1.00 0.00 H new ATOM 719 N VAL A 44 5.136 7.452 -1.613 1.00 0.00 N ATOM 720 CA VAL A 44 5.800 8.738 -1.622 1.00 0.00 C ATOM 721 C VAL A 44 6.123 9.170 -0.202 1.00 0.00 C ATOM 722 O VAL A 44 7.242 9.580 0.096 1.00 0.00 O ATOM 723 CB VAL A 44 4.922 9.794 -2.322 1.00 0.00 C ATOM 724 CG1 VAL A 44 5.033 11.163 -1.652 1.00 0.00 C ATOM 725 CG2 VAL A 44 5.273 9.886 -3.799 1.00 0.00 C ATOM 0 H VAL A 44 4.215 7.453 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 44 6.733 8.645 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 44 3.885 9.472 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.399 11.877 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.712 11.087 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.068 11.503 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.643 10.636 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.320 10.169 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.108 8.919 -4.273 1.00 0.00 H new ATOM 735 N MET A 45 5.138 9.063 0.674 1.00 0.00 N ATOM 736 CA MET A 45 5.325 9.436 2.064 1.00 0.00 C ATOM 737 C MET A 45 6.466 8.641 2.683 1.00 0.00 C ATOM 738 O MET A 45 7.207 9.158 3.518 1.00 0.00 O ATOM 739 CB MET A 45 4.040 9.213 2.861 1.00 0.00 C ATOM 740 CG MET A 45 4.184 9.531 4.341 1.00 0.00 C ATOM 741 SD MET A 45 4.781 11.207 4.637 1.00 0.00 S ATOM 742 CE MET A 45 5.238 11.107 6.365 1.00 0.00 C ATOM 0 H MET A 45 4.204 8.722 0.447 1.00 0.00 H new ATOM 0 HA MET A 45 5.577 10.496 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.248 9.832 2.439 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.727 8.175 2.749 1.00 0.00 H new ATOM 0 HG2 MET A 45 3.220 9.401 4.832 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.872 8.819 4.796 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.551 11.710 6.958 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.188 10.069 6.695 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.254 11.480 6.495 1.00 0.00 H new ATOM 752 N TRP A 46 6.615 7.382 2.270 1.00 0.00 N ATOM 753 CA TRP A 46 7.682 6.549 2.802 1.00 0.00 C ATOM 754 C TRP A 46 9.033 7.062 2.335 1.00 0.00 C ATOM 755 O TRP A 46 9.918 7.323 3.147 1.00 0.00 O ATOM 756 CB TRP A 46 7.492 5.089 2.386 1.00 0.00 C ATOM 757 CG TRP A 46 8.571 4.181 2.892 1.00 0.00 C ATOM 758 CD1 TRP A 46 9.302 3.288 2.162 1.00 0.00 C ATOM 759 CD2 TRP A 46 9.042 4.077 4.242 1.00 0.00 C ATOM 760 NE1 TRP A 46 10.198 2.636 2.973 1.00 0.00 N ATOM 761 CE2 TRP A 46 10.058 3.102 4.255 1.00 0.00 C ATOM 762 CE3 TRP A 46 8.704 4.714 5.439 1.00 0.00 C ATOM 763 CZ2 TRP A 46 10.738 2.751 5.418 1.00 0.00 C ATOM 764 CZ3 TRP A 46 9.380 4.364 6.593 1.00 0.00 C ATOM 765 CH2 TRP A 46 10.387 3.390 6.576 1.00 0.00 C ATOM 0 H TRP A 46 6.018 6.926 1.580 1.00 0.00 H new ATOM 0 HA TRP A 46 7.645 6.599 3.890 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.528 4.736 2.754 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.458 5.030 1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.192 3.119 1.101 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.860 1.921 2.671 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.929 5.466 5.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.515 2.001 5.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.127 4.850 7.524 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.896 3.139 7.495 1.00 0.00 H new ATOM 776 N LEU A 47 9.186 7.224 1.027 1.00 0.00 N ATOM 777 CA LEU A 47 10.437 7.732 0.482 1.00 0.00 C ATOM 778 C LEU A 47 10.724 9.110 1.035 1.00 0.00 C ATOM 779 O LEU A 47 11.849 9.433 1.411 1.00 0.00 O ATOM 780 CB LEU A 47 10.394 7.847 -1.041 1.00 0.00 C ATOM 781 CG LEU A 47 9.043 8.210 -1.650 1.00 0.00 C ATOM 782 CD1 LEU A 47 8.990 9.704 -1.917 1.00 0.00 C ATOM 783 CD2 LEU A 47 8.806 7.427 -2.933 1.00 0.00 C ATOM 0 H LEU A 47 8.469 7.014 0.332 1.00 0.00 H new ATOM 0 HA LEU A 47 11.213 7.022 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.122 8.598 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.717 6.897 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 47 8.254 7.947 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.024 9.962 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.122 10.246 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.785 9.978 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.837 7.700 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.591 7.660 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.819 6.359 -2.715 1.00 0.00 H new ATOM 795 N ILE A 48 9.693 9.932 1.053 1.00 0.00 N ATOM 796 CA ILE A 48 9.817 11.284 1.522 1.00 0.00 C ATOM 797 C ILE A 48 10.368 11.332 2.937 1.00 0.00 C ATOM 798 O ILE A 48 11.279 12.107 3.228 1.00 0.00 O ATOM 799 CB ILE A 48 8.457 12.002 1.432 1.00 0.00 C ATOM 800 CG1 ILE A 48 8.534 13.092 0.377 1.00 0.00 C ATOM 801 CG2 ILE A 48 8.029 12.571 2.774 1.00 0.00 C ATOM 802 CD1 ILE A 48 8.641 12.568 -1.036 1.00 0.00 C ATOM 0 H ILE A 48 8.755 9.677 0.744 1.00 0.00 H new ATOM 0 HA ILE A 48 10.529 11.804 0.881 1.00 0.00 H new ATOM 0 HB ILE A 48 7.699 11.274 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.648 13.723 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.396 13.726 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.065 13.069 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.942 11.763 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.773 13.290 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.692 13.406 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.542 11.962 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.767 11.958 -1.265 1.00 0.00 H new ATOM 814 N GLN A 49 9.814 10.514 3.820 1.00 0.00 N ATOM 815 CA GLN A 49 10.273 10.499 5.194 1.00 0.00 C ATOM 816 C GLN A 49 11.498 9.601 5.369 1.00 0.00 C ATOM 817 O GLN A 49 12.321 9.829 6.256 1.00 0.00 O ATOM 818 CB GLN A 49 9.146 10.054 6.134 1.00 0.00 C ATOM 819 CG GLN A 49 8.868 8.558 6.113 1.00 0.00 C ATOM 820 CD GLN A 49 8.229 8.069 7.399 1.00 0.00 C ATOM 821 OE1 GLN A 49 8.644 8.446 8.494 1.00 0.00 O ATOM 822 NE2 GLN A 49 7.213 7.224 7.269 1.00 0.00 N ATOM 0 H GLN A 49 9.058 9.863 3.611 1.00 0.00 H new ATOM 0 HA GLN A 49 10.567 11.516 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.399 10.351 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.233 10.585 5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.213 8.325 5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.802 8.020 5.947 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.903 6.939 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.743 6.860 8.098 1.00 0.00 H new ATOM 831 N ASN A 50 11.596 8.560 4.544 1.00 0.00 N ATOM 832 CA ASN A 50 12.707 7.612 4.646 1.00 0.00 C ATOM 833 C ASN A 50 13.827 7.886 3.644 1.00 0.00 C ATOM 834 O ASN A 50 14.971 8.130 4.028 1.00 0.00 O ATOM 835 CB ASN A 50 12.191 6.185 4.455 1.00 0.00 C ATOM 836 CG ASN A 50 12.956 5.177 5.289 1.00 0.00 C ATOM 837 OD1 ASN A 50 13.322 5.449 6.434 1.00 0.00 O ATOM 838 ND2 ASN A 50 13.204 4.003 4.718 1.00 0.00 N ATOM 0 H ASN A 50 10.927 8.351 3.803 1.00 0.00 H new ATOM 0 HA ASN A 50 13.132 7.736 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.135 6.145 4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.266 5.913 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.716 3.285 5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.882 3.820 3.767 1.00 0.00 H new ATOM 845 N LYS A 51 13.494 7.812 2.365 1.00 0.00 N ATOM 846 CA LYS A 51 14.473 8.017 1.299 1.00 0.00 C ATOM 847 C LYS A 51 15.133 9.387 1.390 1.00 0.00 C ATOM 848 O LYS A 51 16.358 9.488 1.449 1.00 0.00 O ATOM 849 CB LYS A 51 13.816 7.842 -0.073 1.00 0.00 C ATOM 850 CG LYS A 51 13.883 6.418 -0.604 1.00 0.00 C ATOM 851 CD LYS A 51 13.178 5.433 0.317 1.00 0.00 C ATOM 852 CE LYS A 51 14.107 4.313 0.757 1.00 0.00 C ATOM 853 NZ LYS A 51 14.894 4.687 1.965 1.00 0.00 N ATOM 0 H LYS A 51 12.550 7.611 2.035 1.00 0.00 H new ATOM 0 HA LYS A 51 15.251 7.264 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.772 8.148 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.300 8.510 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.428 6.378 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.926 6.123 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.802 5.960 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.314 5.010 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.522 3.418 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.788 4.065 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.317 3.833 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.648 5.351 1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.267 5.138 2.662 1.00 0.00 H new ATOM 867 N GLU A 52 14.321 10.440 1.394 1.00 0.00 N ATOM 868 CA GLU A 52 14.839 11.805 1.473 1.00 0.00 C ATOM 869 C GLU A 52 15.915 11.924 2.551 1.00 0.00 C ATOM 870 O GLU A 52 16.826 12.745 2.448 1.00 0.00 O ATOM 871 CB GLU A 52 13.701 12.788 1.760 1.00 0.00 C ATOM 872 CG GLU A 52 13.788 14.068 0.944 1.00 0.00 C ATOM 873 CD GLU A 52 13.690 15.315 1.801 1.00 0.00 C ATOM 874 OE1 GLU A 52 14.168 16.381 1.357 1.00 0.00 O ATOM 875 OE2 GLU A 52 13.135 15.227 2.917 1.00 0.00 O ATOM 0 H GLU A 52 13.304 10.376 1.344 1.00 0.00 H new ATOM 0 HA GLU A 52 15.290 12.050 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.748 12.299 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.708 13.041 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.730 14.082 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.988 14.077 0.203 1.00 0.00 H new ATOM 882 N LYS A 53 15.800 11.094 3.582 1.00 0.00 N ATOM 883 CA LYS A 53 16.757 11.096 4.681 1.00 0.00 C ATOM 884 C LYS A 53 17.339 9.703 4.905 1.00 0.00 C ATOM 885 O LYS A 53 17.700 9.353 6.027 1.00 0.00 O ATOM 886 CB LYS A 53 16.094 11.601 5.963 1.00 0.00 C ATOM 887 CG LYS A 53 14.863 10.806 6.365 1.00 0.00 C ATOM 888 CD LYS A 53 14.740 10.697 7.876 1.00 0.00 C ATOM 889 CE LYS A 53 15.720 9.682 8.442 1.00 0.00 C ATOM 890 NZ LYS A 53 15.217 9.065 9.700 1.00 0.00 N ATOM 0 H LYS A 53 15.050 10.409 3.679 1.00 0.00 H new ATOM 0 HA LYS A 53 17.573 11.768 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 53 16.820 11.566 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.814 12.646 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.971 11.284 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.915 9.808 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.922 11.672 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.722 10.408 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.902 8.902 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.676 10.169 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.914 8.379 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.067 9.806 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.317 8.578 9.512 1.00 0.00 H new ATOM 904 N LEU A 54 17.419 8.908 3.835 1.00 0.00 N ATOM 905 CA LEU A 54 17.946 7.546 3.923 1.00 0.00 C ATOM 906 C LEU A 54 19.330 7.537 4.576 1.00 0.00 C ATOM 907 O LEU A 54 20.332 7.844 3.931 1.00 0.00 O ATOM 908 CB LEU A 54 18.032 6.922 2.526 1.00 0.00 C ATOM 909 CG LEU A 54 18.801 5.598 2.446 1.00 0.00 C ATOM 910 CD1 LEU A 54 18.026 4.574 1.631 1.00 0.00 C ATOM 911 CD2 LEU A 54 20.184 5.819 1.848 1.00 0.00 C ATOM 0 H LEU A 54 17.125 9.185 2.898 1.00 0.00 H new ATOM 0 HA LEU A 54 17.266 6.959 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 54 17.020 6.758 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 54 18.504 7.639 1.854 1.00 0.00 H new ATOM 0 HG LEU A 54 18.920 5.211 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 54 18.590 3.642 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 54 17.059 4.392 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.873 4.954 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 54 20.715 4.869 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 20.085 6.231 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 54 20.743 6.516 2.473 1.00 0.00 H new ATOM 923 N PRO A 55 19.399 7.185 5.874 1.00 0.00 N ATOM 924 CA PRO A 55 20.654 7.137 6.623 1.00 0.00 C ATOM 925 C PRO A 55 21.450 5.867 6.343 1.00 0.00 C ATOM 926 O PRO A 55 20.896 4.858 5.909 1.00 0.00 O ATOM 927 CB PRO A 55 20.210 7.166 8.096 1.00 0.00 C ATOM 928 CG PRO A 55 18.713 7.255 8.082 1.00 0.00 C ATOM 929 CD PRO A 55 18.266 6.804 6.722 1.00 0.00 C ATOM 0 HA PRO A 55 21.313 7.961 6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.541 6.269 8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.645 8.019 8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.281 6.625 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.384 8.275 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.079 5.731 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.344 7.297 6.413 1.00 0.00 H new ATOM 937 N ASN A 56 22.750 5.921 6.611 1.00 0.00 N ATOM 938 CA ASN A 56 23.620 4.770 6.404 1.00 0.00 C ATOM 939 C ASN A 56 23.408 3.734 7.506 1.00 0.00 C ATOM 940 O ASN A 56 23.614 2.538 7.297 1.00 0.00 O ATOM 941 CB ASN A 56 25.085 5.210 6.372 1.00 0.00 C ATOM 942 CG ASN A 56 25.638 5.277 4.962 1.00 0.00 C ATOM 943 OD1 ASN A 56 25.561 6.314 4.302 1.00 0.00 O ATOM 944 ND2 ASN A 56 26.199 4.169 4.493 1.00 0.00 N ATOM 0 H ASN A 56 23.224 6.749 6.972 1.00 0.00 H new ATOM 0 HA ASN A 56 23.368 4.316 5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 56 25.178 6.189 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 56 25.683 4.515 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 56 26.588 4.154 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 56 26.241 3.333 5.075 1.00 0.00 H new ATOM 951 N GLU A 57 22.995 4.204 8.680 1.00 0.00 N ATOM 952 CA GLU A 57 22.755 3.324 9.819 1.00 0.00 C ATOM 953 C GLU A 57 21.395 2.636 9.711 1.00 0.00 C ATOM 954 O GLU A 57 21.170 1.592 10.324 1.00 0.00 O ATOM 955 CB GLU A 57 22.834 4.114 11.127 1.00 0.00 C ATOM 956 CG GLU A 57 21.882 5.298 11.181 1.00 0.00 C ATOM 957 CD GLU A 57 21.650 5.794 12.594 1.00 0.00 C ATOM 958 OE1 GLU A 57 22.365 6.725 13.021 1.00 0.00 O ATOM 959 OE2 GLU A 57 20.754 5.252 13.275 1.00 0.00 O ATOM 0 H GLU A 57 22.819 5.191 8.867 1.00 0.00 H new ATOM 0 HA GLU A 57 23.529 2.556 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.616 3.445 11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 57 23.854 4.472 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.284 6.111 10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.928 5.013 10.738 1.00 0.00 H new ATOM 966 N LEU A 58 20.493 3.223 8.930 1.00 0.00 N ATOM 967 CA LEU A 58 19.161 2.656 8.745 1.00 0.00 C ATOM 968 C LEU A 58 19.200 1.480 7.774 1.00 0.00 C ATOM 969 O LEU A 58 18.325 0.617 7.801 1.00 0.00 O ATOM 970 CB LEU A 58 18.193 3.722 8.228 1.00 0.00 C ATOM 971 CG LEU A 58 17.127 4.178 9.228 1.00 0.00 C ATOM 972 CD1 LEU A 58 16.206 5.214 8.597 1.00 0.00 C ATOM 973 CD2 LEU A 58 16.324 2.987 9.732 1.00 0.00 C ATOM 0 H LEU A 58 20.659 4.088 8.416 1.00 0.00 H new ATOM 0 HA LEU A 58 18.812 2.297 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.770 4.592 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.693 3.335 7.340 1.00 0.00 H new ATOM 0 HG LEU A 58 17.630 4.640 10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.456 5.525 9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.791 6.080 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.711 4.780 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.571 3.330 10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.833 2.497 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 58 16.992 2.280 10.225 1.00 0.00 H new ATOM 985 N LYS A 59 20.221 1.462 6.914 1.00 0.00 N ATOM 986 CA LYS A 59 20.390 0.399 5.921 1.00 0.00 C ATOM 987 C LYS A 59 19.944 -0.964 6.456 1.00 0.00 C ATOM 988 O LYS A 59 19.116 -1.632 5.841 1.00 0.00 O ATOM 989 CB LYS A 59 21.850 0.328 5.469 1.00 0.00 C ATOM 990 CG LYS A 59 22.020 -0.175 4.044 1.00 0.00 C ATOM 991 CD LYS A 59 22.561 -1.595 4.012 1.00 0.00 C ATOM 992 CE LYS A 59 23.991 -1.659 4.527 1.00 0.00 C ATOM 993 NZ LYS A 59 24.568 -3.024 4.396 1.00 0.00 N ATOM 0 H LYS A 59 20.948 2.177 6.886 1.00 0.00 H new ATOM 0 HA LYS A 59 19.754 0.644 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.296 1.319 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.400 -0.327 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.060 -0.139 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.698 0.485 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 59 21.926 -2.241 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 59 22.523 -1.977 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.608 -0.950 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.014 -1.354 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 25.543 -3.025 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.995 -3.697 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.570 -3.305 3.395 1.00 0.00 H new ATOM 1007 N PRO A 60 20.483 -1.401 7.608 1.00 0.00 N ATOM 1008 CA PRO A 60 20.120 -2.694 8.197 1.00 0.00 C ATOM 1009 C PRO A 60 18.641 -2.776 8.558 1.00 0.00 C ATOM 1010 O PRO A 60 18.038 -3.847 8.493 1.00 0.00 O ATOM 1011 CB PRO A 60 20.988 -2.783 9.457 1.00 0.00 C ATOM 1012 CG PRO A 60 21.387 -1.377 9.753 1.00 0.00 C ATOM 1013 CD PRO A 60 21.485 -0.689 8.422 1.00 0.00 C ATOM 0 HA PRO A 60 20.286 -3.513 7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.433 -3.219 10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.861 -3.414 9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.652 -0.888 10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 60 22.340 -1.344 10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 60 21.260 0.375 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.485 -0.773 7.996 1.00 0.00 H new ATOM 1021 N LYS A 61 18.059 -1.643 8.932 1.00 0.00 N ATOM 1022 CA LYS A 61 16.648 -1.604 9.292 1.00 0.00 C ATOM 1023 C LYS A 61 15.770 -1.883 8.077 1.00 0.00 C ATOM 1024 O LYS A 61 14.650 -2.371 8.210 1.00 0.00 O ATOM 1025 CB LYS A 61 16.276 -0.254 9.905 1.00 0.00 C ATOM 1026 CG LYS A 61 14.862 -0.216 10.468 1.00 0.00 C ATOM 1027 CD LYS A 61 13.841 0.125 9.394 1.00 0.00 C ATOM 1028 CE LYS A 61 13.061 1.383 9.744 1.00 0.00 C ATOM 1029 NZ LYS A 61 12.260 1.213 10.986 1.00 0.00 N ATOM 0 H LYS A 61 18.539 -0.745 8.994 1.00 0.00 H new ATOM 0 HA LYS A 61 16.475 -2.382 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.983 -0.017 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.378 0.522 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.619 -1.183 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.808 0.521 11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.349 0.264 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.151 -0.709 9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.753 2.216 9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.399 1.641 8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.504 1.927 11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.839 0.262 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.876 1.330 11.815 1.00 0.00 H new ATOM 1043 N ILE A 62 16.287 -1.584 6.885 1.00 0.00 N ATOM 1044 CA ILE A 62 15.537 -1.829 5.659 1.00 0.00 C ATOM 1045 C ILE A 62 15.091 -3.286 5.613 1.00 0.00 C ATOM 1046 O ILE A 62 14.021 -3.607 5.095 1.00 0.00 O ATOM 1047 CB ILE A 62 16.367 -1.469 4.403 1.00 0.00 C ATOM 1048 CG1 ILE A 62 16.266 0.032 4.118 1.00 0.00 C ATOM 1049 CG2 ILE A 62 15.911 -2.269 3.187 1.00 0.00 C ATOM 1050 CD1 ILE A 62 16.424 0.894 5.353 1.00 0.00 C ATOM 0 H ILE A 62 17.212 -1.177 6.745 1.00 0.00 H new ATOM 0 HA ILE A 62 14.658 -1.185 5.660 1.00 0.00 H new ATOM 0 HB ILE A 62 17.407 -1.727 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 62 17.031 0.308 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.300 0.242 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 62 16.514 -1.992 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 62 16.030 -3.334 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.862 -2.053 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.341 1.945 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.644 0.646 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 62 17.401 0.713 5.801 1.00 0.00 H new ATOM 1062 N ASP A 63 15.901 -4.159 6.207 1.00 0.00 N ATOM 1063 CA ASP A 63 15.567 -5.567 6.279 1.00 0.00 C ATOM 1064 C ASP A 63 14.362 -5.715 7.188 1.00 0.00 C ATOM 1065 O ASP A 63 13.438 -6.474 6.905 1.00 0.00 O ATOM 1066 CB ASP A 63 16.752 -6.375 6.816 1.00 0.00 C ATOM 1067 CG ASP A 63 17.039 -7.604 5.977 1.00 0.00 C ATOM 1068 OD1 ASP A 63 16.359 -8.631 6.176 1.00 0.00 O ATOM 1069 OD2 ASP A 63 17.946 -7.538 5.120 1.00 0.00 O ATOM 0 H ASP A 63 16.789 -3.911 6.642 1.00 0.00 H new ATOM 0 HA ASP A 63 15.335 -5.950 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.638 -5.741 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.546 -6.679 7.842 1.00 0.00 H new ATOM 1074 N GLU A 64 14.372 -4.934 8.270 1.00 0.00 N ATOM 1075 CA GLU A 64 13.274 -4.923 9.221 1.00 0.00 C ATOM 1076 C GLU A 64 11.987 -4.538 8.503 1.00 0.00 C ATOM 1077 O GLU A 64 10.954 -5.177 8.671 1.00 0.00 O ATOM 1078 CB GLU A 64 13.566 -3.942 10.361 1.00 0.00 C ATOM 1079 CG GLU A 64 13.771 -4.620 11.707 1.00 0.00 C ATOM 1080 CD GLU A 64 15.209 -4.552 12.182 1.00 0.00 C ATOM 1081 OE1 GLU A 64 15.786 -3.445 12.173 1.00 0.00 O ATOM 1082 OE2 GLU A 64 15.760 -5.607 12.563 1.00 0.00 O ATOM 0 H GLU A 64 15.136 -4.300 8.505 1.00 0.00 H new ATOM 0 HA GLU A 64 13.160 -5.918 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.457 -3.365 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.741 -3.235 10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.125 -4.150 12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.466 -5.664 11.634 1.00 0.00 H new ATOM 1089 N ILE A 65 12.074 -3.497 7.680 1.00 0.00 N ATOM 1090 CA ILE A 65 10.932 -3.026 6.906 1.00 0.00 C ATOM 1091 C ILE A 65 10.366 -4.152 6.049 1.00 0.00 C ATOM 1092 O ILE A 65 9.157 -4.236 5.838 1.00 0.00 O ATOM 1093 CB ILE A 65 11.332 -1.844 5.996 1.00 0.00 C ATOM 1094 CG1 ILE A 65 11.875 -0.691 6.841 1.00 0.00 C ATOM 1095 CG2 ILE A 65 10.149 -1.381 5.157 1.00 0.00 C ATOM 1096 CD1 ILE A 65 10.870 -0.163 7.841 1.00 0.00 C ATOM 0 H ILE A 65 12.929 -2.961 7.532 1.00 0.00 H new ATOM 0 HA ILE A 65 10.171 -2.690 7.610 1.00 0.00 H new ATOM 0 HB ILE A 65 12.115 -2.181 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.766 -1.026 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.184 0.121 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.455 -0.548 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.803 -2.204 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.341 -1.060 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.316 0.653 8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.989 0.202 7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.580 -0.963 8.522 1.00 0.00 H new ATOM 1108 N SER A 66 11.252 -5.014 5.560 1.00 0.00 N ATOM 1109 CA SER A 66 10.845 -6.138 4.726 1.00 0.00 C ATOM 1110 C SER A 66 10.323 -7.291 5.578 1.00 0.00 C ATOM 1111 O SER A 66 9.205 -7.764 5.380 1.00 0.00 O ATOM 1112 CB SER A 66 12.018 -6.612 3.867 1.00 0.00 C ATOM 1113 OG SER A 66 11.567 -7.393 2.773 1.00 0.00 O ATOM 0 H SER A 66 12.256 -4.955 5.727 1.00 0.00 H new ATOM 0 HA SER A 66 10.039 -5.801 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.574 -5.750 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.706 -7.198 4.477 1.00 0.00 H new ATOM 0 HG SER A 66 11.339 -6.805 2.023 1.00 0.00 H new ATOM 1387 N LYS B 9 -1.704 -13.238 -3.682 1.00 0.00 N ATOM 1388 CA LYS B 9 -1.459 -11.913 -4.244 1.00 0.00 C ATOM 1389 C LYS B 9 -2.315 -11.698 -5.486 1.00 0.00 C ATOM 1390 O LYS B 9 -2.610 -12.642 -6.219 1.00 0.00 O ATOM 1391 CB LYS B 9 0.024 -11.755 -4.591 1.00 0.00 C ATOM 1392 CG LYS B 9 0.782 -10.858 -3.625 1.00 0.00 C ATOM 1393 CD LYS B 9 2.057 -11.519 -3.125 1.00 0.00 C ATOM 1394 CE LYS B 9 1.929 -11.946 -1.675 1.00 0.00 C ATOM 1395 NZ LYS B 9 3.222 -11.833 -0.945 1.00 0.00 N ATOM 0 HA LYS B 9 -1.729 -11.163 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS B 9 0.493 -12.739 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.112 -11.347 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS B 9 1.029 -9.918 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS B 9 0.142 -10.614 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS B 9 2.284 -12.388 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS B 9 2.892 -10.827 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.178 -11.330 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.576 -12.976 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 3.091 -12.134 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 3.932 -12.440 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 3.547 -10.845 -0.965 1.00 0.00 H new ATOM 1409 N LYS B 10 -2.722 -10.455 -5.713 1.00 0.00 N ATOM 1410 CA LYS B 10 -3.556 -10.127 -6.865 1.00 0.00 C ATOM 1411 C LYS B 10 -2.928 -9.018 -7.704 1.00 0.00 C ATOM 1412 O LYS B 10 -2.339 -8.086 -7.166 1.00 0.00 O ATOM 1413 CB LYS B 10 -4.934 -9.680 -6.382 1.00 0.00 C ATOM 1414 CG LYS B 10 -5.765 -10.793 -5.765 1.00 0.00 C ATOM 1415 CD LYS B 10 -6.547 -10.296 -4.556 1.00 0.00 C ATOM 1416 CE LYS B 10 -7.939 -10.904 -4.506 1.00 0.00 C ATOM 1417 NZ LYS B 10 -8.800 -10.412 -5.618 1.00 0.00 N ATOM 0 H LYS B 10 -2.490 -9.660 -5.118 1.00 0.00 H new ATOM 0 HA LYS B 10 -3.646 -11.017 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -4.810 -8.884 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -5.482 -9.255 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -6.456 -11.189 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -5.113 -11.614 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -6.006 -10.546 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -6.624 -9.209 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -7.863 -11.990 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -8.406 -10.663 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -9.801 -10.516 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -8.592 -9.409 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -8.609 -10.967 -6.477 1.00 0.00 H new ATOM 1431 N LYS B 11 -3.066 -9.097 -9.024 1.00 0.00 N ATOM 1432 CA LYS B 11 -2.511 -8.060 -9.884 1.00 0.00 C ATOM 1433 C LYS B 11 -3.259 -6.756 -9.654 1.00 0.00 C ATOM 1434 O LYS B 11 -4.413 -6.610 -10.058 1.00 0.00 O ATOM 1435 CB LYS B 11 -2.595 -8.456 -11.360 1.00 0.00 C ATOM 1436 CG LYS B 11 -2.109 -9.869 -11.642 1.00 0.00 C ATOM 1437 CD LYS B 11 -0.611 -9.997 -11.421 1.00 0.00 C ATOM 1438 CE LYS B 11 -0.232 -11.401 -10.981 1.00 0.00 C ATOM 1439 NZ LYS B 11 -0.609 -12.424 -11.996 1.00 0.00 N ATOM 0 H LYS B 11 -3.547 -9.852 -9.513 1.00 0.00 H new ATOM 0 HA LYS B 11 -1.459 -7.932 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -3.629 -8.363 -11.694 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -2.005 -7.754 -11.950 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.635 -10.572 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -2.351 -10.140 -12.670 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -0.084 -9.748 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.291 -9.279 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.842 -11.447 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -0.724 -11.630 -10.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -0.229 -13.350 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.645 -12.481 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -0.216 -12.156 -12.921 1.00 0.00 H new ATOM 1453 N THR B 12 -2.602 -5.814 -8.989 1.00 0.00 N ATOM 1454 CA THR B 12 -3.214 -4.527 -8.692 1.00 0.00 C ATOM 1455 C THR B 12 -2.647 -3.432 -9.584 1.00 0.00 C ATOM 1456 O THR B 12 -1.438 -3.354 -9.791 1.00 0.00 O ATOM 1457 CB THR B 12 -2.999 -4.167 -7.222 1.00 0.00 C ATOM 1458 OG1 THR B 12 -3.207 -5.296 -6.392 1.00 0.00 O ATOM 1459 CG2 THR B 12 -3.915 -3.065 -6.735 1.00 0.00 C ATOM 0 H THR B 12 -1.647 -5.918 -8.646 1.00 0.00 H new ATOM 0 HA THR B 12 -4.283 -4.608 -8.888 1.00 0.00 H new ATOM 0 HB THR B 12 -1.969 -3.816 -7.160 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.821 -5.059 -5.666 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.710 -2.859 -5.684 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.743 -2.163 -7.322 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.953 -3.378 -6.847 1.00 0.00 H new ATOM 1467 N THR B 13 -3.526 -2.583 -10.109 1.00 0.00 N ATOM 1468 CA THR B 13 -3.096 -1.493 -10.976 1.00 0.00 C ATOM 1469 C THR B 13 -3.271 -0.141 -10.306 1.00 0.00 C ATOM 1470 O THR B 13 -4.213 0.081 -9.545 1.00 0.00 O ATOM 1471 CB THR B 13 -3.866 -1.490 -12.296 1.00 0.00 C ATOM 1472 OG1 THR B 13 -4.358 -2.782 -12.606 1.00 0.00 O ATOM 1473 CG2 THR B 13 -3.027 -1.017 -13.460 1.00 0.00 C ATOM 0 H THR B 13 -4.533 -2.629 -9.950 1.00 0.00 H new ATOM 0 HA THR B 13 -2.037 -1.660 -11.175 1.00 0.00 H new ATOM 0 HB THR B 13 -4.692 -0.793 -12.151 1.00 0.00 H new ATOM 0 HG1 THR B 13 -4.848 -2.751 -13.454 1.00 0.00 H new ATOM 0 HG21 THR B 13 -3.625 -1.036 -14.371 1.00 0.00 H new ATOM 0 HG22 THR B 13 -2.684 0.000 -13.272 1.00 0.00 H new ATOM 0 HG23 THR B 13 -2.165 -1.674 -13.578 1.00 0.00 H new ATOM 1481 N LEU B 14 -2.360 0.763 -10.622 1.00 0.00 N ATOM 1482 CA LEU B 14 -2.391 2.113 -10.094 1.00 0.00 C ATOM 1483 C LEU B 14 -2.072 3.090 -11.216 1.00 0.00 C ATOM 1484 O LEU B 14 -1.807 2.668 -12.339 1.00 0.00 O ATOM 1485 CB LEU B 14 -1.392 2.269 -8.943 1.00 0.00 C ATOM 1486 CG LEU B 14 -1.165 1.012 -8.095 1.00 0.00 C ATOM 1487 CD1 LEU B 14 0.286 0.925 -7.651 1.00 0.00 C ATOM 1488 CD2 LEU B 14 -2.095 0.998 -6.890 1.00 0.00 C ATOM 0 H LEU B 14 -1.579 0.580 -11.252 1.00 0.00 H new ATOM 0 HA LEU B 14 -3.385 2.324 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -0.434 2.586 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.738 3.070 -8.290 1.00 0.00 H new ATOM 0 HG LEU B 14 -1.391 0.140 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU B 14 0.429 0.027 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU B 14 0.933 0.882 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU B 14 0.538 1.803 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -1.916 0.097 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -1.905 1.877 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -3.131 1.010 -7.230 1.00 0.00 H new ATOM 1500 N ALA B 15 -2.103 4.383 -10.929 1.00 0.00 N ATOM 1501 CA ALA B 15 -1.815 5.377 -11.957 1.00 0.00 C ATOM 1502 C ALA B 15 -0.751 6.370 -11.505 1.00 0.00 C ATOM 1503 O ALA B 15 -1.059 7.417 -10.940 1.00 0.00 O ATOM 1504 CB ALA B 15 -3.088 6.106 -12.360 1.00 0.00 C ATOM 0 H ALA B 15 -2.321 4.766 -10.009 1.00 0.00 H new ATOM 0 HA ALA B 15 -1.419 4.848 -12.824 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -2.857 6.844 -13.128 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -3.809 5.389 -12.752 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -3.511 6.608 -11.490 1.00 0.00 H new ATOM 1510 N PHE B 16 0.497 6.023 -11.790 1.00 0.00 N ATOM 1511 CA PHE B 16 1.656 6.847 -11.456 1.00 0.00 C ATOM 1512 C PHE B 16 2.899 6.184 -12.001 1.00 0.00 C ATOM 1513 O PHE B 16 2.839 5.086 -12.535 1.00 0.00 O ATOM 1514 CB PHE B 16 1.817 7.056 -9.945 1.00 0.00 C ATOM 1515 CG PHE B 16 0.881 8.076 -9.362 1.00 0.00 C ATOM 1516 CD1 PHE B 16 0.974 9.410 -9.729 1.00 0.00 C ATOM 1517 CD2 PHE B 16 -0.092 7.703 -8.449 1.00 0.00 C ATOM 1518 CE1 PHE B 16 0.116 10.351 -9.194 1.00 0.00 C ATOM 1519 CE2 PHE B 16 -0.953 8.640 -7.912 1.00 0.00 C ATOM 1520 CZ PHE B 16 -0.849 9.966 -8.284 1.00 0.00 C ATOM 0 H PHE B 16 0.738 5.153 -12.265 1.00 0.00 H new ATOM 0 HA PHE B 16 1.504 7.829 -11.904 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.660 6.104 -9.439 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.843 7.361 -9.739 1.00 0.00 H new ATOM 0 HD1 PHE B 16 1.726 9.717 -10.441 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -0.178 6.668 -8.154 1.00 0.00 H new ATOM 0 HE1 PHE B 16 0.200 11.387 -9.487 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -1.707 8.336 -7.201 1.00 0.00 H new ATOM 0 HZ PHE B 16 -1.521 10.700 -7.864 1.00 0.00 H new ATOM 1530 N ASP B 17 4.016 6.857 -11.884 1.00 0.00 N ATOM 1531 CA ASP B 17 5.281 6.339 -12.374 1.00 0.00 C ATOM 1532 C ASP B 17 6.255 7.471 -12.500 1.00 0.00 C ATOM 1533 O ASP B 17 7.443 7.322 -12.243 1.00 0.00 O ATOM 1534 CB ASP B 17 5.122 5.649 -13.727 1.00 0.00 C ATOM 1535 CG ASP B 17 5.121 4.136 -13.617 1.00 0.00 C ATOM 1536 OD1 ASP B 17 4.800 3.468 -14.622 1.00 0.00 O ATOM 1537 OD2 ASP B 17 5.441 3.618 -12.525 1.00 0.00 O ATOM 0 H ASP B 17 4.081 7.777 -11.449 1.00 0.00 H new ATOM 0 HA ASP B 17 5.646 5.598 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP B 17 4.191 5.976 -14.190 1.00 0.00 H new ATOM 0 HB3 ASP B 17 5.932 5.961 -14.386 1.00 0.00 H new ATOM 1542 N GLU B 18 5.746 8.620 -12.885 1.00 0.00 N ATOM 1543 CA GLU B 18 6.600 9.770 -13.024 1.00 0.00 C ATOM 1544 C GLU B 18 7.481 9.910 -11.784 1.00 0.00 C ATOM 1545 O GLU B 18 8.709 9.789 -11.851 1.00 0.00 O ATOM 1546 CB GLU B 18 5.773 11.040 -13.230 1.00 0.00 C ATOM 1547 CG GLU B 18 6.318 11.951 -14.316 1.00 0.00 C ATOM 1548 CD GLU B 18 7.425 12.858 -13.815 1.00 0.00 C ATOM 1549 OE1 GLU B 18 7.257 14.094 -13.887 1.00 0.00 O ATOM 1550 OE2 GLU B 18 8.459 12.334 -13.351 1.00 0.00 O ATOM 0 H GLU B 18 4.762 8.779 -13.103 1.00 0.00 H new ATOM 0 HA GLU B 18 7.232 9.631 -13.901 1.00 0.00 H new ATOM 0 HB2 GLU B 18 4.750 10.760 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU B 18 5.731 11.592 -12.291 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.695 11.344 -15.139 1.00 0.00 H new ATOM 0 HG3 GLU B 18 5.507 12.560 -14.715 1.00 0.00 H new ATOM 1557 N ASP B 19 6.835 10.130 -10.643 1.00 0.00 N ATOM 1558 CA ASP B 19 7.553 10.272 -9.383 1.00 0.00 C ATOM 1559 C ASP B 19 7.830 8.922 -8.742 1.00 0.00 C ATOM 1560 O ASP B 19 8.948 8.660 -8.299 1.00 0.00 O ATOM 1561 CB ASP B 19 6.767 11.161 -8.418 1.00 0.00 C ATOM 1562 CG ASP B 19 6.736 12.610 -8.864 1.00 0.00 C ATOM 1563 OD1 ASP B 19 5.651 13.084 -9.263 1.00 0.00 O ATOM 1564 OD2 ASP B 19 7.795 13.270 -8.815 1.00 0.00 O ATOM 0 H ASP B 19 5.821 10.213 -10.566 1.00 0.00 H new ATOM 0 HA ASP B 19 8.512 10.742 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.746 10.788 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP B 19 7.213 11.098 -7.425 1.00 0.00 H new ATOM 1569 N VAL B 20 6.820 8.063 -8.687 1.00 0.00 N ATOM 1570 CA VAL B 20 7.000 6.752 -8.089 1.00 0.00 C ATOM 1571 C VAL B 20 8.033 5.942 -8.867 1.00 0.00 C ATOM 1572 O VAL B 20 8.931 5.358 -8.273 1.00 0.00 O ATOM 1573 CB VAL B 20 5.673 5.970 -7.977 1.00 0.00 C ATOM 1574 CG1 VAL B 20 4.627 6.802 -7.257 1.00 0.00 C ATOM 1575 CG2 VAL B 20 5.166 5.554 -9.342 1.00 0.00 C ATOM 0 H VAL B 20 5.883 8.248 -9.044 1.00 0.00 H new ATOM 0 HA VAL B 20 7.366 6.913 -7.075 1.00 0.00 H new ATOM 0 HB VAL B 20 5.864 5.066 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.698 6.237 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL B 20 4.981 7.044 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.450 7.723 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.231 5.005 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL B 20 4.996 6.441 -9.953 1.00 0.00 H new ATOM 0 HG23 VAL B 20 5.906 4.916 -9.826 1.00 0.00 H new ATOM 1585 N TYR B 21 7.929 5.924 -10.197 1.00 0.00 N ATOM 1586 CA TYR B 21 8.897 5.184 -11.005 1.00 0.00 C ATOM 1587 C TYR B 21 10.292 5.772 -10.826 1.00 0.00 C ATOM 1588 O TYR B 21 11.257 5.031 -10.638 1.00 0.00 O ATOM 1589 CB TYR B 21 8.520 5.163 -12.493 1.00 0.00 C ATOM 1590 CG TYR B 21 9.074 3.967 -13.236 1.00 0.00 C ATOM 1591 CD1 TYR B 21 8.386 2.759 -13.265 1.00 0.00 C ATOM 1592 CD2 TYR B 21 10.288 4.044 -13.907 1.00 0.00 C ATOM 1593 CE1 TYR B 21 8.891 1.665 -13.941 1.00 0.00 C ATOM 1594 CE2 TYR B 21 10.800 2.955 -14.587 1.00 0.00 C ATOM 1595 CZ TYR B 21 10.098 1.768 -14.600 1.00 0.00 C ATOM 1596 OH TYR B 21 10.604 0.680 -15.274 1.00 0.00 O ATOM 0 H TYR B 21 7.201 6.402 -10.727 1.00 0.00 H new ATOM 0 HA TYR B 21 8.888 4.152 -10.653 1.00 0.00 H new ATOM 0 HB2 TYR B 21 7.434 5.168 -12.585 1.00 0.00 H new ATOM 0 HB3 TYR B 21 8.884 6.075 -12.965 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.440 2.674 -12.750 1.00 0.00 H new ATOM 0 HD2 TYR B 21 10.842 4.971 -13.897 1.00 0.00 H new ATOM 0 HE1 TYR B 21 8.343 0.734 -13.953 1.00 0.00 H new ATOM 0 HE2 TYR B 21 11.744 3.033 -15.105 1.00 0.00 H new ATOM 0 HH TYR B 21 11.461 0.919 -15.685 1.00 0.00 H new ATOM 1606 N HIS B 22 10.410 7.105 -10.865 1.00 0.00 N ATOM 1607 CA HIS B 22 11.715 7.730 -10.684 1.00 0.00 C ATOM 1608 C HIS B 22 12.218 7.492 -9.267 1.00 0.00 C ATOM 1609 O HIS B 22 13.362 7.083 -9.070 1.00 0.00 O ATOM 1610 CB HIS B 22 11.648 9.230 -10.983 1.00 0.00 C ATOM 1611 CG HIS B 22 12.041 9.580 -12.384 1.00 0.00 C ATOM 1612 ND1 HIS B 22 12.152 8.644 -13.392 1.00 0.00 N ATOM 1613 CD2 HIS B 22 12.351 10.773 -12.946 1.00 0.00 C ATOM 1614 CE1 HIS B 22 12.514 9.246 -14.511 1.00 0.00 C ATOM 1615 NE2 HIS B 22 12.640 10.537 -14.268 1.00 0.00 N ATOM 0 H HIS B 22 9.637 7.753 -11.016 1.00 0.00 H new ATOM 0 HA HIS B 22 12.414 7.276 -11.387 1.00 0.00 H new ATOM 0 HB2 HIS B 22 10.633 9.583 -10.800 1.00 0.00 H new ATOM 0 HB3 HIS B 22 12.300 9.760 -10.289 1.00 0.00 H new ATOM 0 HD2 HIS B 22 12.368 11.731 -12.448 1.00 0.00 H new ATOM 0 HE1 HIS B 22 12.679 8.763 -15.463 1.00 0.00 H new ATOM 0 HE2 HIS B 22 12.909 11.245 -14.951 1.00 0.00 H new ATOM 1624 N THR B 23 11.359 7.727 -8.278 1.00 0.00 N ATOM 1625 CA THR B 23 11.743 7.504 -6.890 1.00 0.00 C ATOM 1626 C THR B 23 12.068 6.033 -6.678 1.00 0.00 C ATOM 1627 O THR B 23 13.038 5.693 -6.010 1.00 0.00 O ATOM 1628 CB THR B 23 10.636 7.933 -5.932 1.00 0.00 C ATOM 1629 OG1 THR B 23 9.440 7.221 -6.191 1.00 0.00 O ATOM 1630 CG2 THR B 23 10.319 9.411 -6.002 1.00 0.00 C ATOM 0 H THR B 23 10.406 8.067 -8.410 1.00 0.00 H new ATOM 0 HA THR B 23 12.625 8.110 -6.680 1.00 0.00 H new ATOM 0 HB THR B 23 11.018 7.709 -4.936 1.00 0.00 H new ATOM 0 HG1 THR B 23 9.062 7.517 -7.045 1.00 0.00 H new ATOM 0 HG21 THR B 23 9.523 9.646 -5.295 1.00 0.00 H new ATOM 0 HG22 THR B 23 11.210 9.987 -5.751 1.00 0.00 H new ATOM 0 HG23 THR B 23 9.995 9.666 -7.011 1.00 0.00 H new ATOM 1638 N LEU B 24 11.266 5.160 -7.281 1.00 0.00 N ATOM 1639 CA LEU B 24 11.499 3.725 -7.178 1.00 0.00 C ATOM 1640 C LEU B 24 12.900 3.392 -7.678 1.00 0.00 C ATOM 1641 O LEU B 24 13.440 2.325 -7.382 1.00 0.00 O ATOM 1642 CB LEU B 24 10.454 2.942 -7.980 1.00 0.00 C ATOM 1643 CG LEU B 24 9.331 2.310 -7.148 1.00 0.00 C ATOM 1644 CD1 LEU B 24 9.900 1.585 -5.942 1.00 0.00 C ATOM 1645 CD2 LEU B 24 8.329 3.362 -6.705 1.00 0.00 C ATOM 0 H LEU B 24 10.455 5.420 -7.842 1.00 0.00 H new ATOM 0 HA LEU B 24 11.411 3.435 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU B 24 10.007 3.611 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU B 24 10.962 2.153 -8.535 1.00 0.00 H new ATOM 0 HG LEU B 24 8.814 1.585 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.087 1.144 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.576 0.798 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.446 2.292 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.542 2.890 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.835 4.113 -6.098 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.890 3.839 -7.582 1.00 0.00 H new ATOM 1657 N LYS B 25 13.482 4.312 -8.444 1.00 0.00 N ATOM 1658 CA LYS B 25 14.812 4.117 -8.988 1.00 0.00 C ATOM 1659 C LYS B 25 15.874 4.121 -7.894 1.00 0.00 C ATOM 1660 O LYS B 25 16.726 3.234 -7.852 1.00 0.00 O ATOM 1661 CB LYS B 25 15.131 5.189 -10.032 1.00 0.00 C ATOM 1662 CG LYS B 25 16.355 4.873 -10.876 1.00 0.00 C ATOM 1663 CD LYS B 25 16.260 3.493 -11.510 1.00 0.00 C ATOM 1664 CE LYS B 25 17.124 2.478 -10.777 1.00 0.00 C ATOM 1665 NZ LYS B 25 18.090 1.810 -11.691 1.00 0.00 N ATOM 0 H LYS B 25 13.048 5.199 -8.699 1.00 0.00 H new ATOM 0 HA LYS B 25 14.826 3.138 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.270 5.312 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.285 6.142 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS B 25 16.463 5.626 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS B 25 17.249 4.928 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.222 3.160 -11.504 1.00 0.00 H new ATOM 0 HD3 LYS B 25 16.570 3.549 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS B 25 17.668 2.976 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS B 25 16.486 1.727 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 18.660 1.126 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 17.570 1.313 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 18.716 2.524 -12.116 1.00 0.00 H new ATOM 1679 N LEU B 26 15.826 5.110 -7.001 1.00 0.00 N ATOM 1680 CA LEU B 26 16.805 5.176 -5.924 1.00 0.00 C ATOM 1681 C LEU B 26 16.566 4.046 -4.934 1.00 0.00 C ATOM 1682 O LEU B 26 17.493 3.344 -4.546 1.00 0.00 O ATOM 1683 CB LEU B 26 16.773 6.534 -5.221 1.00 0.00 C ATOM 1684 CG LEU B 26 15.432 6.899 -4.614 1.00 0.00 C ATOM 1685 CD1 LEU B 26 15.308 6.321 -3.215 1.00 0.00 C ATOM 1686 CD2 LEU B 26 15.240 8.408 -4.598 1.00 0.00 C ATOM 0 H LEU B 26 15.134 5.860 -7.003 1.00 0.00 H new ATOM 0 HA LEU B 26 17.798 5.059 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU B 26 17.527 6.539 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU B 26 17.055 7.306 -5.937 1.00 0.00 H new ATOM 0 HG LEU B 26 14.645 6.468 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU B 26 14.340 6.592 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU B 26 15.392 5.235 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.103 6.720 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.272 8.647 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.031 8.869 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.280 8.791 -5.618 1.00 0.00 H new ATOM 1698 N VAL B 27 15.310 3.858 -4.553 1.00 0.00 N ATOM 1699 CA VAL B 27 14.939 2.789 -3.627 1.00 0.00 C ATOM 1700 C VAL B 27 15.287 1.436 -4.202 1.00 0.00 C ATOM 1701 O VAL B 27 15.768 0.560 -3.491 1.00 0.00 O ATOM 1702 CB VAL B 27 13.437 2.788 -3.298 1.00 0.00 C ATOM 1703 CG1 VAL B 27 13.190 3.329 -1.905 1.00 0.00 C ATOM 1704 CG2 VAL B 27 12.666 3.572 -4.312 1.00 0.00 C ATOM 0 H VAL B 27 14.528 4.431 -4.870 1.00 0.00 H new ATOM 0 HA VAL B 27 15.502 2.978 -2.713 1.00 0.00 H new ATOM 0 HB VAL B 27 13.088 1.756 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL B 27 12.120 3.319 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL B 27 13.709 2.707 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL B 27 13.562 4.351 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL B 27 11.607 3.555 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL B 27 13.021 4.603 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL B 27 12.808 3.130 -5.298 1.00 0.00 H new ATOM 1714 N SER B 28 15.027 1.251 -5.484 1.00 0.00 N ATOM 1715 CA SER B 28 15.312 -0.028 -6.097 1.00 0.00 C ATOM 1716 C SER B 28 16.807 -0.325 -6.065 1.00 0.00 C ATOM 1717 O SER B 28 17.220 -1.456 -5.802 1.00 0.00 O ATOM 1718 CB SER B 28 14.783 -0.077 -7.532 1.00 0.00 C ATOM 1719 OG SER B 28 15.318 0.981 -8.311 1.00 0.00 O ATOM 0 H SER B 28 14.628 1.954 -6.106 1.00 0.00 H new ATOM 0 HA SER B 28 14.799 -0.797 -5.520 1.00 0.00 H new ATOM 0 HB2 SER B 28 15.042 -1.034 -7.986 1.00 0.00 H new ATOM 0 HB3 SER B 28 13.695 -0.012 -7.524 1.00 0.00 H new ATOM 0 HG SER B 28 15.033 1.840 -7.935 1.00 0.00 H new ATOM 1725 N VAL B 29 17.609 0.699 -6.321 1.00 0.00 N ATOM 1726 CA VAL B 29 19.055 0.562 -6.315 1.00 0.00 C ATOM 1727 C VAL B 29 19.582 0.535 -4.886 1.00 0.00 C ATOM 1728 O VAL B 29 20.409 -0.302 -4.527 1.00 0.00 O ATOM 1729 CB VAL B 29 19.700 1.725 -7.106 1.00 0.00 C ATOM 1730 CG1 VAL B 29 20.555 2.617 -6.217 1.00 0.00 C ATOM 1731 CG2 VAL B 29 20.509 1.195 -8.280 1.00 0.00 C ATOM 0 H VAL B 29 17.278 1.639 -6.537 1.00 0.00 H new ATOM 0 HA VAL B 29 19.320 -0.380 -6.796 1.00 0.00 H new ATOM 0 HB VAL B 29 18.889 2.341 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL B 29 20.987 3.419 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL B 29 19.936 3.045 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL B 29 21.355 2.026 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL B 29 20.953 2.030 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL B 29 21.299 0.540 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL B 29 19.856 0.635 -8.949 1.00 0.00 H new ATOM 1741 N TYR B 30 19.096 1.470 -4.083 1.00 0.00 N ATOM 1742 CA TYR B 30 19.514 1.579 -2.691 1.00 0.00 C ATOM 1743 C TYR B 30 18.943 0.448 -1.842 1.00 0.00 C ATOM 1744 O TYR B 30 19.520 0.092 -0.815 1.00 0.00 O ATOM 1745 CB TYR B 30 19.094 2.929 -2.103 1.00 0.00 C ATOM 1746 CG TYR B 30 20.095 4.037 -2.348 1.00 0.00 C ATOM 1747 CD1 TYR B 30 21.183 4.214 -1.502 1.00 0.00 C ATOM 1748 CD2 TYR B 30 19.951 4.906 -3.423 1.00 0.00 C ATOM 1749 CE1 TYR B 30 22.100 5.225 -1.721 1.00 0.00 C ATOM 1750 CE2 TYR B 30 20.864 5.918 -3.648 1.00 0.00 C ATOM 1751 CZ TYR B 30 21.936 6.074 -2.794 1.00 0.00 C ATOM 1752 OH TYR B 30 22.846 7.082 -3.016 1.00 0.00 O ATOM 0 H TYR B 30 18.409 2.167 -4.372 1.00 0.00 H new ATOM 0 HA TYR B 30 20.601 1.503 -2.674 1.00 0.00 H new ATOM 0 HB2 TYR B 30 18.134 3.218 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR B 30 18.945 2.817 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR B 30 21.314 3.551 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR B 30 19.112 4.788 -4.093 1.00 0.00 H new ATOM 0 HE1 TYR B 30 22.941 5.349 -1.055 1.00 0.00 H new ATOM 0 HE2 TYR B 30 20.739 6.584 -4.489 1.00 0.00 H new ATOM 0 HH TYR B 30 22.585 7.588 -3.813 1.00 0.00 H new ATOM 1762 N LEU B 31 17.811 -0.121 -2.259 1.00 0.00 N ATOM 1763 CA LEU B 31 17.205 -1.206 -1.500 1.00 0.00 C ATOM 1764 C LEU B 31 17.379 -2.540 -2.223 1.00 0.00 C ATOM 1765 O LEU B 31 16.952 -3.581 -1.724 1.00 0.00 O ATOM 1766 CB LEU B 31 15.712 -0.938 -1.247 1.00 0.00 C ATOM 1767 CG LEU B 31 15.330 0.476 -0.758 1.00 0.00 C ATOM 1768 CD1 LEU B 31 14.268 0.392 0.328 1.00 0.00 C ATOM 1769 CD2 LEU B 31 16.538 1.252 -0.243 1.00 0.00 C ATOM 0 H LEU B 31 17.306 0.148 -3.103 1.00 0.00 H new ATOM 0 HA LEU B 31 17.716 -1.259 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU B 31 15.170 -1.135 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU B 31 15.358 -1.659 -0.510 1.00 0.00 H new ATOM 0 HG LEU B 31 14.931 1.016 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU B 31 14.009 1.397 0.662 1.00 0.00 H new ATOM 0 HD12 LEU B 31 13.379 -0.098 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU B 31 14.653 -0.183 1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 31 16.221 2.240 0.090 1.00 0.00 H new ATOM 0 HD22 LEU B 31 16.987 0.714 0.592 1.00 0.00 H new ATOM 0 HD23 LEU B 31 17.271 1.357 -1.043 1.00 0.00 H new ATOM 1781 N ASN B 32 18.002 -2.508 -3.404 1.00 0.00 N ATOM 1782 CA ASN B 32 18.215 -3.722 -4.183 1.00 0.00 C ATOM 1783 C ASN B 32 16.904 -4.476 -4.344 1.00 0.00 C ATOM 1784 O ASN B 32 16.877 -5.707 -4.384 1.00 0.00 O ATOM 1785 CB ASN B 32 19.257 -4.616 -3.506 1.00 0.00 C ATOM 1786 CG ASN B 32 20.111 -5.368 -4.508 1.00 0.00 C ATOM 1787 OD1 ASN B 32 20.249 -4.953 -5.659 1.00 0.00 O ATOM 1788 ND2 ASN B 32 20.690 -6.481 -4.075 1.00 0.00 N ATOM 0 H ASN B 32 18.364 -1.658 -3.836 1.00 0.00 H new ATOM 0 HA ASN B 32 18.586 -3.442 -5.169 1.00 0.00 H new ATOM 0 HB2 ASN B 32 19.899 -4.005 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN B 32 18.752 -5.330 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN B 32 21.276 -7.029 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN B 32 20.549 -6.788 -3.113 1.00 0.00 H new ATOM 1795 N ARG B 33 15.815 -3.720 -4.420 1.00 0.00 N ATOM 1796 CA ARG B 33 14.487 -4.300 -4.560 1.00 0.00 C ATOM 1797 C ARG B 33 13.821 -3.840 -5.848 1.00 0.00 C ATOM 1798 O ARG B 33 14.307 -2.933 -6.524 1.00 0.00 O ATOM 1799 CB ARG B 33 13.614 -3.901 -3.365 1.00 0.00 C ATOM 1800 CG ARG B 33 14.048 -4.538 -2.055 1.00 0.00 C ATOM 1801 CD ARG B 33 12.863 -4.798 -1.138 1.00 0.00 C ATOM 1802 NE ARG B 33 12.654 -6.225 -0.905 1.00 0.00 N ATOM 1803 CZ ARG B 33 13.515 -7.003 -0.253 1.00 0.00 C ATOM 1804 NH1 ARG B 33 14.641 -6.496 0.233 1.00 0.00 N ATOM 1805 NH2 ARG B 33 13.249 -8.291 -0.088 1.00 0.00 N ATOM 0 H ARG B 33 15.827 -2.701 -4.387 1.00 0.00 H new ATOM 0 HA ARG B 33 14.594 -5.384 -4.593 1.00 0.00 H new ATOM 0 HB2 ARG B 33 13.635 -2.817 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG B 33 12.581 -4.181 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG B 33 14.563 -5.477 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG B 33 14.762 -3.886 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG B 33 13.025 -4.295 -0.185 1.00 0.00 H new ATOM 0 HD3 ARG B 33 11.963 -4.367 -1.577 1.00 0.00 H new ATOM 0 HE ARG B 33 11.798 -6.650 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG B 33 14.850 -5.506 0.108 1.00 0.00 H new ATOM 0 HH12 ARG B 33 15.297 -7.097 0.732 1.00 0.00 H new ATOM 0 HH21 ARG B 33 12.385 -8.685 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.908 -8.888 0.411 1.00 0.00 H new ATOM 1819 N ASP B 34 12.690 -4.454 -6.167 1.00 0.00 N ATOM 1820 CA ASP B 34 11.934 -4.091 -7.354 1.00 0.00 C ATOM 1821 C ASP B 34 10.943 -2.992 -6.999 1.00 0.00 C ATOM 1822 O ASP B 34 10.627 -2.799 -5.825 1.00 0.00 O ATOM 1823 CB ASP B 34 11.199 -5.309 -7.919 1.00 0.00 C ATOM 1824 CG ASP B 34 11.708 -5.707 -9.291 1.00 0.00 C ATOM 1825 OD1 ASP B 34 12.590 -6.588 -9.364 1.00 0.00 O ATOM 1826 OD2 ASP B 34 11.224 -5.138 -10.292 1.00 0.00 O ATOM 0 H ASP B 34 12.276 -5.207 -5.618 1.00 0.00 H new ATOM 0 HA ASP B 34 12.621 -3.728 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP B 34 11.314 -6.149 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP B 34 10.133 -5.091 -7.979 1.00 0.00 H new ATOM 1831 N MET B 35 10.453 -2.271 -7.998 1.00 0.00 N ATOM 1832 CA MET B 35 9.508 -1.201 -7.746 1.00 0.00 C ATOM 1833 C MET B 35 8.282 -1.742 -7.017 1.00 0.00 C ATOM 1834 O MET B 35 7.665 -1.040 -6.215 1.00 0.00 O ATOM 1835 CB MET B 35 9.127 -0.511 -9.062 1.00 0.00 C ATOM 1836 CG MET B 35 7.641 -0.266 -9.221 1.00 0.00 C ATOM 1837 SD MET B 35 7.231 0.571 -10.765 1.00 0.00 S ATOM 1838 CE MET B 35 6.641 2.146 -10.151 1.00 0.00 C ATOM 0 H MET B 35 10.693 -2.408 -8.980 1.00 0.00 H new ATOM 0 HA MET B 35 9.973 -0.454 -7.103 1.00 0.00 H new ATOM 0 HB2 MET B 35 9.651 0.443 -9.125 1.00 0.00 H new ATOM 0 HB3 MET B 35 9.475 -1.122 -9.895 1.00 0.00 H new ATOM 0 HG2 MET B 35 7.114 -1.219 -9.179 1.00 0.00 H new ATOM 0 HG3 MET B 35 7.285 0.333 -8.383 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.592 2.272 -10.420 1.00 0.00 H new ATOM 0 HE2 MET B 35 6.744 2.175 -9.066 1.00 0.00 H new ATOM 0 HE3 MET B 35 7.228 2.952 -10.593 1.00 0.00 H new ATOM 1848 N THR B 36 7.947 -2.999 -7.284 1.00 0.00 N ATOM 1849 CA THR B 36 6.811 -3.631 -6.629 1.00 0.00 C ATOM 1850 C THR B 36 7.187 -4.009 -5.203 1.00 0.00 C ATOM 1851 O THR B 36 6.437 -3.752 -4.265 1.00 0.00 O ATOM 1852 CB THR B 36 6.360 -4.881 -7.395 1.00 0.00 C ATOM 1853 OG1 THR B 36 7.463 -5.509 -8.023 1.00 0.00 O ATOM 1854 CG2 THR B 36 5.321 -4.610 -8.462 1.00 0.00 C ATOM 0 H THR B 36 8.443 -3.596 -7.945 1.00 0.00 H new ATOM 0 HA THR B 36 5.984 -2.921 -6.615 1.00 0.00 H new ATOM 0 HB THR B 36 5.909 -5.523 -6.638 1.00 0.00 H new ATOM 0 HG1 THR B 36 7.618 -5.098 -8.899 1.00 0.00 H new ATOM 0 HG21 THR B 36 5.055 -5.544 -8.957 1.00 0.00 H new ATOM 0 HG22 THR B 36 4.432 -4.177 -8.003 1.00 0.00 H new ATOM 0 HG23 THR B 36 5.726 -3.913 -9.196 1.00 0.00 H new ATOM 1862 N GLU B 37 8.364 -4.608 -5.049 1.00 0.00 N ATOM 1863 CA GLU B 37 8.848 -5.006 -3.734 1.00 0.00 C ATOM 1864 C GLU B 37 9.002 -3.783 -2.838 1.00 0.00 C ATOM 1865 O GLU B 37 8.695 -3.829 -1.648 1.00 0.00 O ATOM 1866 CB GLU B 37 10.184 -5.745 -3.856 1.00 0.00 C ATOM 1867 CG GLU B 37 10.090 -7.227 -3.532 1.00 0.00 C ATOM 1868 CD GLU B 37 11.028 -8.068 -4.374 1.00 0.00 C ATOM 1869 OE1 GLU B 37 12.253 -8.010 -4.136 1.00 0.00 O ATOM 1870 OE2 GLU B 37 10.539 -8.785 -5.273 1.00 0.00 O ATOM 0 H GLU B 37 8.998 -4.827 -5.817 1.00 0.00 H new ATOM 0 HA GLU B 37 8.119 -5.681 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU B 37 10.564 -5.627 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU B 37 10.909 -5.281 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU B 37 10.319 -7.380 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU B 37 9.066 -7.565 -3.688 1.00 0.00 H new ATOM 1877 N ILE B 38 9.469 -2.686 -3.424 1.00 0.00 N ATOM 1878 CA ILE B 38 9.652 -1.441 -2.688 1.00 0.00 C ATOM 1879 C ILE B 38 8.303 -0.825 -2.327 1.00 0.00 C ATOM 1880 O ILE B 38 8.030 -0.546 -1.161 1.00 0.00 O ATOM 1881 CB ILE B 38 10.438 -0.411 -3.520 1.00 0.00 C ATOM 1882 CG1 ILE B 38 11.904 -0.819 -3.703 1.00 0.00 C ATOM 1883 CG2 ILE B 38 10.364 0.967 -2.889 1.00 0.00 C ATOM 1884 CD1 ILE B 38 12.353 -0.787 -5.146 1.00 0.00 C ATOM 0 H ILE B 38 9.728 -2.634 -4.409 1.00 0.00 H new ATOM 0 HA ILE B 38 10.210 -1.685 -1.784 1.00 0.00 H new ATOM 0 HB ILE B 38 9.971 -0.379 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.536 -0.152 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE B 38 12.047 -1.824 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE B 38 10.927 1.676 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.323 1.285 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.788 0.931 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.399 -1.086 -5.208 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.744 -1.475 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.240 0.223 -5.540 1.00 0.00 H new ATOM 1896 N ILE B 39 7.467 -0.602 -3.342 1.00 0.00 N ATOM 1897 CA ILE B 39 6.156 -0.004 -3.127 1.00 0.00 C ATOM 1898 C ILE B 39 5.289 -0.899 -2.258 1.00 0.00 C ATOM 1899 O ILE B 39 4.520 -0.417 -1.427 1.00 0.00 O ATOM 1900 CB ILE B 39 5.425 0.267 -4.457 1.00 0.00 C ATOM 1901 CG1 ILE B 39 5.094 -1.049 -5.157 1.00 0.00 C ATOM 1902 CG2 ILE B 39 6.267 1.157 -5.356 1.00 0.00 C ATOM 1903 CD1 ILE B 39 3.698 -1.555 -4.865 1.00 0.00 C ATOM 0 H ILE B 39 7.676 -0.826 -4.315 1.00 0.00 H new ATOM 0 HA ILE B 39 6.323 0.947 -2.621 1.00 0.00 H new ATOM 0 HB ILE B 39 4.492 0.787 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE B 39 5.206 -0.917 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE B 39 5.817 -1.805 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE B 39 5.735 1.338 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.454 2.107 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE B 39 7.217 0.666 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE B 39 3.533 -2.493 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE B 39 3.587 -1.720 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE B 39 2.967 -0.817 -5.196 1.00 0.00 H new ATOM 1915 N GLU B 40 5.419 -2.206 -2.453 1.00 0.00 N ATOM 1916 CA GLU B 40 4.642 -3.155 -1.679 1.00 0.00 C ATOM 1917 C GLU B 40 5.226 -3.296 -0.282 1.00 0.00 C ATOM 1918 O GLU B 40 4.511 -3.614 0.669 1.00 0.00 O ATOM 1919 CB GLU B 40 4.577 -4.516 -2.381 1.00 0.00 C ATOM 1920 CG GLU B 40 5.851 -5.339 -2.265 1.00 0.00 C ATOM 1921 CD GLU B 40 5.709 -6.502 -1.302 1.00 0.00 C ATOM 1922 OE1 GLU B 40 6.726 -6.894 -0.691 1.00 0.00 O ATOM 1923 OE2 GLU B 40 4.582 -7.020 -1.159 1.00 0.00 O ATOM 0 H GLU B 40 6.050 -2.626 -3.135 1.00 0.00 H new ATOM 0 HA GLU B 40 3.623 -2.776 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU B 40 3.749 -5.088 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU B 40 4.355 -4.358 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU B 40 6.125 -5.719 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.666 -4.695 -1.934 1.00 0.00 H new ATOM 1930 N GLU B 41 6.524 -3.031 -0.149 1.00 0.00 N ATOM 1931 CA GLU B 41 7.165 -3.107 1.157 1.00 0.00 C ATOM 1932 C GLU B 41 6.976 -1.791 1.899 1.00 0.00 C ATOM 1933 O GLU B 41 6.860 -1.763 3.126 1.00 0.00 O ATOM 1934 CB GLU B 41 8.653 -3.429 1.017 1.00 0.00 C ATOM 1935 CG GLU B 41 9.377 -3.550 2.348 1.00 0.00 C ATOM 1936 CD GLU B 41 10.884 -3.603 2.188 1.00 0.00 C ATOM 1937 OE1 GLU B 41 11.397 -4.647 1.735 1.00 0.00 O ATOM 1938 OE2 GLU B 41 11.552 -2.600 2.518 1.00 0.00 O ATOM 0 H GLU B 41 7.142 -2.766 -0.916 1.00 0.00 H new ATOM 0 HA GLU B 41 6.699 -3.911 1.727 1.00 0.00 H new ATOM 0 HB2 GLU B 41 8.764 -4.363 0.466 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.130 -2.650 0.423 1.00 0.00 H new ATOM 0 HG2 GLU B 41 9.112 -2.703 2.980 1.00 0.00 H new ATOM 0 HG3 GLU B 41 9.038 -4.449 2.862 1.00 0.00 H new ATOM 1945 N ALA B 42 6.934 -0.699 1.138 1.00 0.00 N ATOM 1946 CA ALA B 42 6.750 0.627 1.712 1.00 0.00 C ATOM 1947 C ALA B 42 5.301 0.836 2.131 1.00 0.00 C ATOM 1948 O ALA B 42 5.024 1.409 3.185 1.00 0.00 O ATOM 1949 CB ALA B 42 7.175 1.696 0.717 1.00 0.00 C ATOM 0 H ALA B 42 7.025 -0.709 0.122 1.00 0.00 H new ATOM 0 HA ALA B 42 7.377 0.708 2.600 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.032 2.682 1.159 1.00 0.00 H new ATOM 0 HB2 ALA B 42 8.227 1.560 0.464 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.571 1.613 -0.187 1.00 0.00 H new ATOM 1955 N VAL B 43 4.377 0.364 1.299 1.00 0.00 N ATOM 1956 CA VAL B 43 2.952 0.495 1.582 1.00 0.00 C ATOM 1957 C VAL B 43 2.614 -0.067 2.947 1.00 0.00 C ATOM 1958 O VAL B 43 2.145 0.644 3.836 1.00 0.00 O ATOM 1959 CB VAL B 43 2.089 -0.244 0.529 1.00 0.00 C ATOM 1960 CG1 VAL B 43 2.615 -1.634 0.253 1.00 0.00 C ATOM 1961 CG2 VAL B 43 0.644 -0.332 0.977 1.00 0.00 C ATOM 0 H VAL B 43 4.590 -0.113 0.423 1.00 0.00 H new ATOM 0 HA VAL B 43 2.728 1.561 1.551 1.00 0.00 H new ATOM 0 HB VAL B 43 2.145 0.337 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL B 43 1.984 -2.121 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL B 43 3.636 -1.569 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.605 -2.216 1.174 1.00 0.00 H new ATOM 0 HG21 VAL B 43 0.060 -0.855 0.220 1.00 0.00 H new ATOM 0 HG22 VAL B 43 0.588 -0.877 1.919 1.00 0.00 H new ATOM 0 HG23 VAL B 43 0.244 0.673 1.114 1.00 0.00 H new ATOM 1971 N VAL B 44 2.851 -1.352 3.091 1.00 0.00 N ATOM 1972 CA VAL B 44 2.576 -2.048 4.328 1.00 0.00 C ATOM 1973 C VAL B 44 3.301 -1.385 5.487 1.00 0.00 C ATOM 1974 O VAL B 44 2.716 -1.134 6.537 1.00 0.00 O ATOM 1975 CB VAL B 44 2.978 -3.532 4.205 1.00 0.00 C ATOM 1976 CG1 VAL B 44 3.598 -4.067 5.493 1.00 0.00 C ATOM 1977 CG2 VAL B 44 1.785 -4.377 3.792 1.00 0.00 C ATOM 0 H VAL B 44 3.239 -1.943 2.356 1.00 0.00 H new ATOM 0 HA VAL B 44 1.506 -1.997 4.527 1.00 0.00 H new ATOM 0 HB VAL B 44 3.740 -3.598 3.429 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.865 -5.115 5.360 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.492 -3.492 5.733 1.00 0.00 H new ATOM 0 HG13 VAL B 44 2.879 -3.976 6.308 1.00 0.00 H new ATOM 0 HG21 VAL B 44 2.089 -5.421 3.711 1.00 0.00 H new ATOM 0 HG22 VAL B 44 0.998 -4.286 4.540 1.00 0.00 H new ATOM 0 HG23 VAL B 44 1.411 -4.032 2.828 1.00 0.00 H new ATOM 1987 N MET B 45 4.574 -1.093 5.290 1.00 0.00 N ATOM 1988 CA MET B 45 5.357 -0.449 6.330 1.00 0.00 C ATOM 1989 C MET B 45 4.694 0.852 6.758 1.00 0.00 C ATOM 1990 O MET B 45 4.744 1.223 7.931 1.00 0.00 O ATOM 1991 CB MET B 45 6.782 -0.181 5.843 1.00 0.00 C ATOM 1992 CG MET B 45 7.743 0.203 6.955 1.00 0.00 C ATOM 1993 SD MET B 45 7.560 1.921 7.474 1.00 0.00 S ATOM 1994 CE MET B 45 8.157 1.829 9.161 1.00 0.00 C ATOM 0 H MET B 45 5.084 -1.289 4.429 1.00 0.00 H new ATOM 0 HA MET B 45 5.406 -1.118 7.189 1.00 0.00 H new ATOM 0 HB2 MET B 45 7.159 -1.072 5.340 1.00 0.00 H new ATOM 0 HB3 MET B 45 6.759 0.618 5.102 1.00 0.00 H new ATOM 0 HG2 MET B 45 7.579 -0.450 7.812 1.00 0.00 H new ATOM 0 HG3 MET B 45 8.766 0.037 6.618 1.00 0.00 H new ATOM 0 HE1 MET B 45 7.912 2.753 9.685 1.00 0.00 H new ATOM 0 HE2 MET B 45 7.685 0.988 9.669 1.00 0.00 H new ATOM 0 HE3 MET B 45 9.238 1.690 9.157 1.00 0.00 H new ATOM 2004 N TRP B 46 4.054 1.538 5.811 1.00 0.00 N ATOM 2005 CA TRP B 46 3.375 2.781 6.134 1.00 0.00 C ATOM 2006 C TRP B 46 2.209 2.500 7.069 1.00 0.00 C ATOM 2007 O TRP B 46 2.181 2.978 8.202 1.00 0.00 O ATOM 2008 CB TRP B 46 2.876 3.480 4.870 1.00 0.00 C ATOM 2009 CG TRP B 46 2.143 4.753 5.161 1.00 0.00 C ATOM 2010 CD1 TRP B 46 0.863 5.063 4.801 1.00 0.00 C ATOM 2011 CD2 TRP B 46 2.644 5.881 5.883 1.00 0.00 C ATOM 2012 NE1 TRP B 46 0.540 6.320 5.253 1.00 0.00 N ATOM 2013 CE2 TRP B 46 1.617 6.843 5.920 1.00 0.00 C ATOM 2014 CE3 TRP B 46 3.863 6.174 6.501 1.00 0.00 C ATOM 2015 CZ2 TRP B 46 1.772 8.073 6.550 1.00 0.00 C ATOM 2016 CZ3 TRP B 46 4.015 7.397 7.126 1.00 0.00 C ATOM 2017 CH2 TRP B 46 2.974 8.332 7.147 1.00 0.00 C ATOM 0 H TRP B 46 3.994 1.256 4.832 1.00 0.00 H new ATOM 0 HA TRP B 46 4.086 3.443 6.628 1.00 0.00 H new ATOM 0 HB2 TRP B 46 3.724 3.695 4.220 1.00 0.00 H new ATOM 0 HB3 TRP B 46 2.219 2.805 4.322 1.00 0.00 H new ATOM 0 HD1 TRP B 46 0.202 4.416 4.243 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -0.356 6.788 5.115 1.00 0.00 H new ATOM 0 HE3 TRP B 46 4.671 5.458 6.490 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 0.971 8.798 6.567 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 4.953 7.635 7.606 1.00 0.00 H new ATOM 0 HH2 TRP B 46 3.124 9.278 7.646 1.00 0.00 H new ATOM 2028 N LEU B 47 1.253 1.706 6.593 1.00 0.00 N ATOM 2029 CA LEU B 47 0.092 1.351 7.401 1.00 0.00 C ATOM 2030 C LEU B 47 0.522 0.818 8.750 1.00 0.00 C ATOM 2031 O LEU B 47 -0.058 1.147 9.783 1.00 0.00 O ATOM 2032 CB LEU B 47 -0.757 0.273 6.722 1.00 0.00 C ATOM 2033 CG LEU B 47 -0.006 -0.727 5.845 1.00 0.00 C ATOM 2034 CD1 LEU B 47 0.195 -2.027 6.604 1.00 0.00 C ATOM 2035 CD2 LEU B 47 -0.762 -0.974 4.547 1.00 0.00 C ATOM 0 H LEU B 47 1.260 1.299 5.658 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.496 2.261 7.519 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -1.288 -0.282 7.495 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.511 0.767 6.109 1.00 0.00 H new ATOM 0 HG LEU B 47 0.970 -0.312 5.593 1.00 0.00 H new ATOM 0 HD11 LEU B 47 0.731 -2.737 5.974 1.00 0.00 H new ATOM 0 HD12 LEU B 47 0.773 -1.835 7.508 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.775 -2.443 6.876 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -0.211 -1.689 3.936 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.750 -1.375 4.772 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -0.866 -0.036 4.002 1.00 0.00 H new ATOM 2047 N ILE B 48 1.526 -0.038 8.722 1.00 0.00 N ATOM 2048 CA ILE B 48 2.027 -0.658 9.922 1.00 0.00 C ATOM 2049 C ILE B 48 2.600 0.361 10.891 1.00 0.00 C ATOM 2050 O ILE B 48 2.352 0.288 12.095 1.00 0.00 O ATOM 2051 CB ILE B 48 3.079 -1.719 9.560 1.00 0.00 C ATOM 2052 CG1 ILE B 48 2.540 -3.097 9.892 1.00 0.00 C ATOM 2053 CG2 ILE B 48 4.402 -1.466 10.267 1.00 0.00 C ATOM 2054 CD1 ILE B 48 1.226 -3.419 9.204 1.00 0.00 C ATOM 0 H ILE B 48 2.011 -0.318 7.870 1.00 0.00 H new ATOM 0 HA ILE B 48 1.190 -1.140 10.427 1.00 0.00 H new ATOM 0 HB ILE B 48 3.277 -1.658 8.490 1.00 0.00 H new ATOM 0 HG12 ILE B 48 3.281 -3.845 9.610 1.00 0.00 H new ATOM 0 HG13 ILE B 48 2.404 -3.174 10.971 1.00 0.00 H new ATOM 0 HG21 ILE B 48 5.119 -2.237 9.985 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.788 -0.489 9.978 1.00 0.00 H new ATOM 0 HG23 ILE B 48 4.249 -1.491 11.346 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.902 -4.420 9.489 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.470 -2.694 9.505 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.361 -3.375 8.123 1.00 0.00 H new ATOM 2066 N GLN B 49 3.369 1.303 10.374 1.00 0.00 N ATOM 2067 CA GLN B 49 3.965 2.312 11.224 1.00 0.00 C ATOM 2068 C GLN B 49 2.964 3.420 11.550 1.00 0.00 C ATOM 2069 O GLN B 49 3.176 4.204 12.474 1.00 0.00 O ATOM 2070 CB GLN B 49 5.218 2.901 10.569 1.00 0.00 C ATOM 2071 CG GLN B 49 4.930 3.844 9.408 1.00 0.00 C ATOM 2072 CD GLN B 49 5.770 5.105 9.461 1.00 0.00 C ATOM 2073 OE1 GLN B 49 6.876 5.151 8.922 1.00 0.00 O ATOM 2074 NE2 GLN B 49 5.249 6.137 10.113 1.00 0.00 N ATOM 0 H GLN B 49 3.592 1.389 9.382 1.00 0.00 H new ATOM 0 HA GLN B 49 4.255 1.831 12.158 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.792 3.438 11.325 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.846 2.085 10.212 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.118 3.325 8.468 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.874 4.114 9.417 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.329 6.055 10.545 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.769 7.012 10.182 1.00 0.00 H new ATOM 2083 N ASN B 50 1.875 3.487 10.782 1.00 0.00 N ATOM 2084 CA ASN B 50 0.856 4.512 11.000 1.00 0.00 C ATOM 2085 C ASN B 50 -0.309 3.982 11.827 1.00 0.00 C ATOM 2086 O ASN B 50 -0.612 4.506 12.896 1.00 0.00 O ATOM 2087 CB ASN B 50 0.346 5.053 9.661 1.00 0.00 C ATOM 2088 CG ASN B 50 0.501 6.557 9.549 1.00 0.00 C ATOM 2089 OD1 ASN B 50 -0.462 7.273 9.275 1.00 0.00 O ATOM 2090 ND2 ASN B 50 1.718 7.042 9.761 1.00 0.00 N ATOM 0 H ASN B 50 1.678 2.849 10.011 1.00 0.00 H new ATOM 0 HA ASN B 50 1.322 5.323 11.560 1.00 0.00 H new ATOM 0 HB2 ASN B 50 0.890 4.573 8.847 1.00 0.00 H new ATOM 0 HB3 ASN B 50 -0.705 4.789 9.542 1.00 0.00 H new ATOM 0 HD21 ASN B 50 1.885 8.046 9.699 1.00 0.00 H new ATOM 0 HD22 ASN B 50 2.487 6.410 9.986 1.00 0.00 H new ATOM 2097 N LYS B 51 -0.965 2.951 11.315 1.00 0.00 N ATOM 2098 CA LYS B 51 -2.114 2.351 11.990 1.00 0.00 C ATOM 2099 C LYS B 51 -1.738 1.801 13.365 1.00 0.00 C ATOM 2100 O LYS B 51 -2.322 2.186 14.377 1.00 0.00 O ATOM 2101 CB LYS B 51 -2.707 1.234 11.127 1.00 0.00 C ATOM 2102 CG LYS B 51 -4.214 1.339 10.951 1.00 0.00 C ATOM 2103 CD LYS B 51 -4.580 1.934 9.600 1.00 0.00 C ATOM 2104 CE LYS B 51 -3.941 3.300 9.399 1.00 0.00 C ATOM 2105 NZ LYS B 51 -4.352 4.271 10.452 1.00 0.00 N ATOM 0 H LYS B 51 -0.722 2.508 10.429 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.858 3.134 12.135 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.232 1.253 10.146 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.468 0.271 11.578 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.662 0.350 11.047 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.632 1.956 11.746 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.258 1.260 8.806 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.664 2.023 9.522 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -2.856 3.197 9.405 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.219 3.689 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -4.770 5.112 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.053 3.827 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.520 4.553 11.008 1.00 0.00 H new ATOM 2119 N GLU B 52 -0.770 0.890 13.391 1.00 0.00 N ATOM 2120 CA GLU B 52 -0.324 0.271 14.639 1.00 0.00 C ATOM 2121 C GLU B 52 -0.122 1.307 15.744 1.00 0.00 C ATOM 2122 O GLU B 52 -0.353 1.026 16.920 1.00 0.00 O ATOM 2123 CB GLU B 52 0.977 -0.499 14.408 1.00 0.00 C ATOM 2124 CG GLU B 52 1.180 -1.654 15.375 1.00 0.00 C ATOM 2125 CD GLU B 52 2.158 -2.688 14.851 1.00 0.00 C ATOM 2126 OE1 GLU B 52 2.671 -3.485 15.664 1.00 0.00 O ATOM 2127 OE2 GLU B 52 2.410 -2.701 13.628 1.00 0.00 O ATOM 0 H GLU B 52 -0.277 0.562 12.561 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.105 -0.417 14.963 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.985 -0.884 13.388 1.00 0.00 H new ATOM 0 HB3 GLU B 52 1.817 0.189 14.496 1.00 0.00 H new ATOM 0 HG2 GLU B 52 1.542 -1.266 16.327 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.220 -2.133 15.570 1.00 0.00 H new ATOM 2134 N LYS B 53 0.316 2.499 15.360 1.00 0.00 N ATOM 2135 CA LYS B 53 0.555 3.573 16.318 1.00 0.00 C ATOM 2136 C LYS B 53 -0.215 4.832 15.931 1.00 0.00 C ATOM 2137 O LYS B 53 0.223 5.946 16.217 1.00 0.00 O ATOM 2138 CB LYS B 53 2.051 3.881 16.409 1.00 0.00 C ATOM 2139 CG LYS B 53 2.634 4.462 15.129 1.00 0.00 C ATOM 2140 CD LYS B 53 3.340 5.787 15.378 1.00 0.00 C ATOM 2141 CE LYS B 53 2.753 6.902 14.527 1.00 0.00 C ATOM 2142 NZ LYS B 53 3.243 6.845 13.122 1.00 0.00 N ATOM 0 H LYS B 53 0.514 2.748 14.391 1.00 0.00 H new ATOM 0 HA LYS B 53 0.200 3.240 17.294 1.00 0.00 H new ATOM 0 HB2 LYS B 53 2.220 4.583 17.226 1.00 0.00 H new ATOM 0 HB3 LYS B 53 2.587 2.966 16.659 1.00 0.00 H new ATOM 0 HG2 LYS B 53 3.338 3.751 14.695 1.00 0.00 H new ATOM 0 HG3 LYS B 53 1.837 4.607 14.400 1.00 0.00 H new ATOM 0 HD2 LYS B 53 3.258 6.051 16.432 1.00 0.00 H new ATOM 0 HD3 LYS B 53 4.402 5.681 15.158 1.00 0.00 H new ATOM 0 HE2 LYS B 53 1.665 6.831 14.535 1.00 0.00 H new ATOM 0 HE3 LYS B 53 3.013 7.867 14.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 2.522 7.242 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 4.120 7.397 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 3.430 5.856 12.859 1.00 0.00 H new ATOM 2156 N LEU B 54 -1.354 4.647 15.269 1.00 0.00 N ATOM 2157 CA LEU B 54 -2.177 5.769 14.822 1.00 0.00 C ATOM 2158 C LEU B 54 -2.515 6.707 15.982 1.00 0.00 C ATOM 2159 O LEU B 54 -3.400 6.418 16.787 1.00 0.00 O ATOM 2160 CB LEU B 54 -3.470 5.251 14.187 1.00 0.00 C ATOM 2161 CG LEU B 54 -4.461 6.333 13.751 1.00 0.00 C ATOM 2162 CD1 LEU B 54 -4.287 6.655 12.275 1.00 0.00 C ATOM 2163 CD2 LEU B 54 -5.890 5.893 14.037 1.00 0.00 C ATOM 0 H LEU B 54 -1.729 3.729 15.030 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.605 6.330 14.083 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.212 4.646 13.318 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -3.967 4.592 14.899 1.00 0.00 H new ATOM 0 HG LEU B 54 -4.257 7.237 14.325 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -5.000 7.426 11.984 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -3.273 7.013 12.098 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -4.463 5.757 11.683 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -6.581 6.674 13.721 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -6.105 4.975 13.490 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.009 5.714 15.106 1.00 0.00 H new ATOM 2175 N PRO B 55 -1.809 7.850 16.080 1.00 0.00 N ATOM 2176 CA PRO B 55 -2.030 8.836 17.135 1.00 0.00 C ATOM 2177 C PRO B 55 -3.240 9.720 16.851 1.00 0.00 C ATOM 2178 O PRO B 55 -3.686 9.830 15.710 1.00 0.00 O ATOM 2179 CB PRO B 55 -0.742 9.679 17.133 1.00 0.00 C ATOM 2180 CG PRO B 55 0.142 9.093 16.074 1.00 0.00 C ATOM 2181 CD PRO B 55 -0.743 8.282 15.172 1.00 0.00 C ATOM 0 HA PRO B 55 -2.235 8.359 18.094 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -0.962 10.725 16.921 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -0.255 9.647 18.108 1.00 0.00 H new ATOM 0 HG2 PRO B 55 0.648 9.879 15.514 1.00 0.00 H new ATOM 0 HG3 PRO B 55 0.917 8.469 16.519 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -1.131 8.875 14.344 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -0.212 7.435 14.737 1.00 0.00 H new ATOM 2189 N ASN B 56 -3.761 10.355 17.895 1.00 0.00 N ATOM 2190 CA ASN B 56 -4.914 11.236 17.755 1.00 0.00 C ATOM 2191 C ASN B 56 -4.510 12.565 17.120 1.00 0.00 C ATOM 2192 O ASN B 56 -5.323 13.229 16.478 1.00 0.00 O ATOM 2193 CB ASN B 56 -5.560 11.484 19.119 1.00 0.00 C ATOM 2194 CG ASN B 56 -7.022 11.869 19.004 1.00 0.00 C ATOM 2195 OD1 ASN B 56 -7.848 11.083 18.539 1.00 0.00 O ATOM 2196 ND2 ASN B 56 -7.349 13.084 19.428 1.00 0.00 N ATOM 0 H ASN B 56 -3.403 10.276 18.847 1.00 0.00 H new ATOM 0 HA ASN B 56 -5.637 10.747 17.102 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -5.471 10.585 19.729 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -5.018 12.276 19.636 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -8.318 13.399 19.375 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -6.631 13.702 19.806 1.00 0.00 H new ATOM 2203 N GLU B 57 -3.250 12.949 17.310 1.00 0.00 N ATOM 2204 CA GLU B 57 -2.740 14.202 16.762 1.00 0.00 C ATOM 2205 C GLU B 57 -2.362 14.049 15.291 1.00 0.00 C ATOM 2206 O GLU B 57 -2.426 15.009 14.523 1.00 0.00 O ATOM 2207 CB GLU B 57 -1.525 14.673 17.564 1.00 0.00 C ATOM 2208 CG GLU B 57 -0.444 13.614 17.710 1.00 0.00 C ATOM 2209 CD GLU B 57 0.952 14.205 17.729 1.00 0.00 C ATOM 2210 OE1 GLU B 57 1.695 13.940 18.697 1.00 0.00 O ATOM 2211 OE2 GLU B 57 1.302 14.932 16.775 1.00 0.00 O ATOM 0 H GLU B 57 -2.564 12.410 17.839 1.00 0.00 H new ATOM 0 HA GLU B 57 -3.532 14.947 16.835 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -1.098 15.551 17.079 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -1.853 14.984 18.556 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -0.610 13.055 18.631 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -0.523 12.904 16.887 1.00 0.00 H new ATOM 2218 N LEU B 58 -1.967 12.840 14.904 1.00 0.00 N ATOM 2219 CA LEU B 58 -1.578 12.567 13.524 1.00 0.00 C ATOM 2220 C LEU B 58 -2.805 12.409 12.628 1.00 0.00 C ATOM 2221 O LEU B 58 -2.714 12.567 11.411 1.00 0.00 O ATOM 2222 CB LEU B 58 -0.718 11.302 13.453 1.00 0.00 C ATOM 2223 CG LEU B 58 0.778 11.540 13.241 1.00 0.00 C ATOM 2224 CD1 LEU B 58 1.533 10.218 13.220 1.00 0.00 C ATOM 2225 CD2 LEU B 58 1.018 12.313 11.953 1.00 0.00 C ATOM 0 H LEU B 58 -1.908 12.034 15.526 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.996 13.417 13.166 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.852 10.739 14.377 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -1.088 10.676 12.641 1.00 0.00 H new ATOM 0 HG LEU B 58 1.152 12.135 14.074 1.00 0.00 H new ATOM 0 HD11 LEU B 58 2.595 10.408 13.068 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.389 9.702 14.169 1.00 0.00 H new ATOM 0 HD13 LEU B 58 1.156 9.597 12.408 1.00 0.00 H new ATOM 0 HD21 LEU B 58 2.088 12.473 11.819 1.00 0.00 H new ATOM 0 HD22 LEU B 58 0.627 11.744 11.109 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.511 13.276 12.007 1.00 0.00 H new ATOM 2237 N LYS B 59 -3.946 12.087 13.239 1.00 0.00 N ATOM 2238 CA LYS B 59 -5.200 11.895 12.505 1.00 0.00 C ATOM 2239 C LYS B 59 -5.338 12.875 11.339 1.00 0.00 C ATOM 2240 O LYS B 59 -5.507 12.463 10.192 1.00 0.00 O ATOM 2241 CB LYS B 59 -6.394 12.041 13.453 1.00 0.00 C ATOM 2242 CG LYS B 59 -7.407 10.916 13.331 1.00 0.00 C ATOM 2243 CD LYS B 59 -8.606 11.145 14.236 1.00 0.00 C ATOM 2244 CE LYS B 59 -9.526 12.222 13.683 1.00 0.00 C ATOM 2245 NZ LYS B 59 -10.180 13.005 14.765 1.00 0.00 N ATOM 0 H LYS B 59 -4.029 11.953 14.247 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.183 10.887 12.090 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.030 12.081 14.480 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -6.892 12.990 13.254 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -7.741 10.836 12.296 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -6.933 9.969 13.587 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.161 10.214 14.348 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.263 11.433 15.230 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.954 12.894 13.044 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -10.290 11.760 13.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -10.798 13.728 14.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -10.747 12.368 15.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -9.453 13.467 15.347 1.00 0.00 H new ATOM 2259 N PRO B 60 -5.270 14.189 11.612 1.00 0.00 N ATOM 2260 CA PRO B 60 -5.393 15.213 10.570 1.00 0.00 C ATOM 2261 C PRO B 60 -4.208 15.214 9.614 1.00 0.00 C ATOM 2262 O PRO B 60 -4.341 15.597 8.451 1.00 0.00 O ATOM 2263 CB PRO B 60 -5.450 16.525 11.357 1.00 0.00 C ATOM 2264 CG PRO B 60 -4.774 16.223 12.649 1.00 0.00 C ATOM 2265 CD PRO B 60 -5.075 14.781 12.949 1.00 0.00 C ATOM 0 HA PRO B 60 -6.266 15.045 9.939 1.00 0.00 H new ATOM 0 HB2 PRO B 60 -4.943 17.329 10.823 1.00 0.00 H new ATOM 0 HB3 PRO B 60 -6.479 16.847 11.515 1.00 0.00 H new ATOM 0 HG2 PRO B 60 -3.699 16.390 12.575 1.00 0.00 H new ATOM 0 HG3 PRO B 60 -5.143 16.872 13.443 1.00 0.00 H new ATOM 0 HD2 PRO B 60 -4.256 14.302 13.485 1.00 0.00 H new ATOM 0 HD3 PRO B 60 -5.966 14.677 13.569 1.00 0.00 H new ATOM 2273 N LYS B 61 -3.051 14.780 10.101 1.00 0.00 N ATOM 2274 CA LYS B 61 -1.856 14.733 9.268 1.00 0.00 C ATOM 2275 C LYS B 61 -2.025 13.718 8.144 1.00 0.00 C ATOM 2276 O LYS B 61 -1.409 13.842 7.087 1.00 0.00 O ATOM 2277 CB LYS B 61 -0.621 14.394 10.100 1.00 0.00 C ATOM 2278 CG LYS B 61 0.684 14.797 9.430 1.00 0.00 C ATOM 2279 CD LYS B 61 1.302 13.636 8.669 1.00 0.00 C ATOM 2280 CE LYS B 61 2.651 13.242 9.249 1.00 0.00 C ATOM 2281 NZ LYS B 61 3.780 13.848 8.491 1.00 0.00 N ATOM 0 H LYS B 61 -2.916 14.458 11.059 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.715 15.721 8.831 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -0.694 14.892 11.067 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -0.606 13.322 10.295 1.00 0.00 H new ATOM 0 HG2 LYS B 61 0.502 15.626 8.746 1.00 0.00 H new ATOM 0 HG3 LYS B 61 1.386 15.154 10.184 1.00 0.00 H new ATOM 0 HD2 LYS B 61 0.628 12.780 8.700 1.00 0.00 H new ATOM 0 HD3 LYS B 61 1.422 13.910 7.621 1.00 0.00 H new ATOM 0 HE2 LYS B 61 2.704 13.556 10.291 1.00 0.00 H new ATOM 0 HE3 LYS B 61 2.748 12.156 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 4.675 13.413 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 3.643 13.683 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 3.812 14.871 8.675 1.00 0.00 H new ATOM 2295 N ILE B 62 -2.879 12.719 8.364 1.00 0.00 N ATOM 2296 CA ILE B 62 -3.133 11.707 7.345 1.00 0.00 C ATOM 2297 C ILE B 62 -3.508 12.392 6.035 1.00 0.00 C ATOM 2298 O ILE B 62 -3.178 11.914 4.947 1.00 0.00 O ATOM 2299 CB ILE B 62 -4.247 10.725 7.789 1.00 0.00 C ATOM 2300 CG1 ILE B 62 -3.642 9.568 8.587 1.00 0.00 C ATOM 2301 CG2 ILE B 62 -5.026 10.190 6.592 1.00 0.00 C ATOM 2302 CD1 ILE B 62 -2.684 10.014 9.669 1.00 0.00 C ATOM 0 H ILE B 62 -3.401 12.591 9.231 1.00 0.00 H new ATOM 0 HA ILE B 62 -2.225 11.122 7.200 1.00 0.00 H new ATOM 0 HB ILE B 62 -4.944 11.272 8.424 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -4.447 8.991 9.042 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.119 8.900 7.903 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.799 9.504 6.938 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.489 11.020 6.059 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -4.347 9.662 5.922 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.295 9.141 10.193 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.858 10.565 9.219 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.208 10.658 10.376 1.00 0.00 H new ATOM 2314 N ASP B 63 -4.162 13.544 6.155 1.00 0.00 N ATOM 2315 CA ASP B 63 -4.543 14.328 4.998 1.00 0.00 C ATOM 2316 C ASP B 63 -3.287 14.934 4.396 1.00 0.00 C ATOM 2317 O ASP B 63 -3.112 14.959 3.179 1.00 0.00 O ATOM 2318 CB ASP B 63 -5.532 15.426 5.399 1.00 0.00 C ATOM 2319 CG ASP B 63 -6.843 15.326 4.644 1.00 0.00 C ATOM 2320 OD1 ASP B 63 -7.869 15.810 5.168 1.00 0.00 O ATOM 2321 OD2 ASP B 63 -6.844 14.766 3.528 1.00 0.00 O ATOM 0 H ASP B 63 -4.437 13.951 7.049 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.035 13.691 4.262 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -5.727 15.363 6.470 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.083 16.402 5.214 1.00 0.00 H new ATOM 2326 N GLU B 64 -2.397 15.391 5.277 1.00 0.00 N ATOM 2327 CA GLU B 64 -1.129 15.971 4.861 1.00 0.00 C ATOM 2328 C GLU B 64 -0.346 14.957 4.038 1.00 0.00 C ATOM 2329 O GLU B 64 0.227 15.286 3.007 1.00 0.00 O ATOM 2330 CB GLU B 64 -0.315 16.406 6.083 1.00 0.00 C ATOM 2331 CG GLU B 64 -0.413 17.893 6.381 1.00 0.00 C ATOM 2332 CD GLU B 64 -1.429 18.204 7.462 1.00 0.00 C ATOM 2333 OE1 GLU B 64 -2.630 18.309 7.135 1.00 0.00 O ATOM 2334 OE2 GLU B 64 -1.025 18.343 8.636 1.00 0.00 O ATOM 0 H GLU B 64 -2.536 15.368 6.287 1.00 0.00 H new ATOM 0 HA GLU B 64 -1.326 16.851 4.248 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -0.655 15.846 6.954 1.00 0.00 H new ATOM 0 HB3 GLU B 64 0.731 16.144 5.924 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.565 18.264 6.689 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -0.683 18.426 5.469 1.00 0.00 H new ATOM 2341 N ILE B 65 -0.350 13.712 4.503 1.00 0.00 N ATOM 2342 CA ILE B 65 0.340 12.627 3.816 1.00 0.00 C ATOM 2343 C ILE B 65 -0.139 12.501 2.375 1.00 0.00 C ATOM 2344 O ILE B 65 0.665 12.464 1.448 1.00 0.00 O ATOM 2345 CB ILE B 65 0.104 11.284 4.538 1.00 0.00 C ATOM 2346 CG1 ILE B 65 0.525 11.394 6.005 1.00 0.00 C ATOM 2347 CG2 ILE B 65 0.864 10.163 3.842 1.00 0.00 C ATOM 2348 CD1 ILE B 65 2.020 11.521 6.188 1.00 0.00 C ATOM 0 H ILE B 65 -0.827 13.429 5.359 1.00 0.00 H new ATOM 0 HA ILE B 65 1.404 12.863 3.823 1.00 0.00 H new ATOM 0 HB ILE B 65 -0.959 11.048 4.499 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.036 12.259 6.453 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.173 10.515 6.544 1.00 0.00 H new ATOM 0 HG21 ILE B 65 0.686 9.223 4.365 1.00 0.00 H new ATOM 0 HG22 ILE B 65 0.520 10.076 2.811 1.00 0.00 H new ATOM 0 HG23 ILE B 65 1.931 10.387 3.851 1.00 0.00 H new ATOM 0 HD11 ILE B 65 2.252 11.595 7.251 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.514 10.644 5.769 1.00 0.00 H new ATOM 0 HD13 ILE B 65 2.374 12.416 5.676 1.00 0.00 H new ATOM 2360 N SER B 66 -1.455 12.423 2.200 1.00 0.00 N ATOM 2361 CA SER B 66 -2.046 12.283 0.871 1.00 0.00 C ATOM 2362 C SER B 66 -1.977 13.585 0.073 1.00 0.00 C ATOM 2363 O SER B 66 -1.734 13.565 -1.133 1.00 0.00 O ATOM 2364 CB SER B 66 -3.499 11.824 0.988 1.00 0.00 C ATOM 2365 OG SER B 66 -4.190 12.564 1.980 1.00 0.00 O ATOM 0 H SER B 66 -2.133 12.454 2.961 1.00 0.00 H new ATOM 0 HA SER B 66 -1.465 11.533 0.333 1.00 0.00 H new ATOM 0 HB2 SER B 66 -3.999 11.943 0.027 1.00 0.00 H new ATOM 0 HB3 SER B 66 -3.530 10.763 1.234 1.00 0.00 H new ATOM 0 HG SER B 66 -3.702 13.393 2.169 1.00 0.00 H new