USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 45 TYR OH : rot -179:sc= -0.587! USER MOD Set 1.2: A 62 GLN : amide:sc= -0.678! C(o=-1.3!,f=-8.2!) USER MOD Set 2.1: A 20 GLN : amide:sc= -0.0492 X(o=-0.13,f=-0.26) USER MOD Set 2.2: A 24 MET CE :methyl 163:sc= -0.0855 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.696 K(o=-0.7,f=-5.4!) USER MOD Single : A 15 SER OG : rot -55:sc= 0.72 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 23 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=-0.26) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -129:sc= -0.907 (180deg=-4.77!) USER MOD Single : A 40 ASN : amide:sc= -1.38 K(o=-1.4,f=-6.8!) USER MOD Single : A 43 ASN : amide:sc= -0.48 K(o=-0.48,f=-2.6!) USER MOD Single : A 44 SER OG : rot -120:sc= -2.81! USER MOD Single : A 48 SER OG : rot 60:sc= -0.501 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -8.27! C(o=-8.3!,f=-9.5!) USER MOD Single : A 58 CYS SG : rot 90:sc= -8.79! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.755 X(o=-0.75,f=-0.83) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -160:sc= -1.15 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.425 USER MOD Single : A 84 TYR OH : rot 70:sc= 1.1 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 139:sc= -1.14 (180deg=-2.89!) USER MOD Single : A 93 MET CE :methyl 151:sc= -3.72 (180deg=-5.17!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N TRP A 11 -1.010 8.789 1.131 1.00 0.00 N ATOM 142 CA TRP A 11 -0.395 7.608 0.461 1.00 0.00 C ATOM 143 C TRP A 11 -1.028 7.405 -0.917 1.00 0.00 C ATOM 144 O TRP A 11 -0.930 6.346 -1.504 1.00 0.00 O ATOM 145 CB TRP A 11 -0.626 6.358 1.314 1.00 0.00 C ATOM 146 CG TRP A 11 -1.981 6.422 1.943 1.00 0.00 C ATOM 147 CD1 TRP A 11 -2.217 6.640 3.258 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.287 6.268 1.314 1.00 0.00 C ATOM 149 NE1 TRP A 11 -3.583 6.630 3.475 1.00 0.00 N ATOM 150 CE2 TRP A 11 -4.285 6.404 2.307 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.699 6.026 -0.009 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -5.643 6.303 2.001 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -5.064 5.924 -0.322 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.034 6.062 0.681 1.00 0.00 C ATOM 0 HA TRP A 11 0.675 7.780 0.345 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.543 5.464 0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.141 6.285 2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.462 6.796 4.014 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.019 6.772 4.386 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.960 5.918 -0.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.386 6.410 2.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.369 5.738 -1.341 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.082 5.982 0.434 1.00 0.00 H new ATOM 165 N TYR A 12 -1.676 8.411 -1.440 1.00 0.00 N ATOM 166 CA TYR A 12 -2.313 8.270 -2.781 1.00 0.00 C ATOM 167 C TYR A 12 -1.340 8.748 -3.862 1.00 0.00 C ATOM 168 O TYR A 12 -1.082 9.927 -4.001 1.00 0.00 O ATOM 169 CB TYR A 12 -3.588 9.116 -2.831 1.00 0.00 C ATOM 170 CG TYR A 12 -4.085 9.194 -4.254 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.955 8.215 -4.748 1.00 0.00 C ATOM 172 CD2 TYR A 12 -3.674 10.247 -5.082 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.415 8.288 -6.068 1.00 0.00 C ATOM 174 CE2 TYR A 12 -4.134 10.320 -6.402 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.005 9.340 -6.896 1.00 0.00 C ATOM 176 OH TYR A 12 -5.458 9.413 -8.196 1.00 0.00 O ATOM 0 H TYR A 12 -1.792 9.323 -0.998 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.564 7.224 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.353 8.677 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.388 10.117 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.272 7.403 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.002 11.002 -4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.087 7.532 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.817 11.132 -7.040 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.078 10.205 -8.631 1.00 0.00 H new ATOM 186 N HIS A 13 -0.800 7.840 -4.630 1.00 0.00 N ATOM 187 CA HIS A 13 0.154 8.243 -5.702 1.00 0.00 C ATOM 188 C HIS A 13 -0.366 7.755 -7.056 1.00 0.00 C ATOM 189 O HIS A 13 -0.924 6.681 -7.167 1.00 0.00 O ATOM 190 CB HIS A 13 1.523 7.616 -5.428 1.00 0.00 C ATOM 191 CG HIS A 13 1.942 7.922 -4.017 1.00 0.00 C ATOM 192 ND1 HIS A 13 1.619 9.117 -3.392 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.659 7.200 -3.095 1.00 0.00 C ATOM 194 CE1 HIS A 13 2.136 9.078 -2.151 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.780 7.931 -1.918 1.00 0.00 N ATOM 0 H HIS A 13 -0.978 6.838 -4.561 1.00 0.00 H new ATOM 0 HA HIS A 13 0.247 9.329 -5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.478 6.537 -5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.260 8.006 -6.130 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.086 9.886 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.067 6.214 -3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.042 9.877 -1.430 1.00 0.00 H new ATOM 203 N ALA A 14 -0.186 8.534 -8.087 1.00 0.00 N ATOM 204 CA ALA A 14 -0.671 8.113 -9.431 1.00 0.00 C ATOM 205 C ALA A 14 0.035 8.936 -10.510 1.00 0.00 C ATOM 206 O ALA A 14 -0.540 9.828 -11.100 1.00 0.00 O ATOM 207 CB ALA A 14 -2.181 8.341 -9.525 1.00 0.00 C ATOM 0 H ALA A 14 0.276 9.443 -8.057 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.453 7.055 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.535 8.033 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.686 7.755 -8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.399 9.398 -9.376 1.00 0.00 H new ATOM 213 N SER A 15 1.280 8.645 -10.773 1.00 0.00 N ATOM 214 CA SER A 15 2.021 9.412 -11.814 1.00 0.00 C ATOM 215 C SER A 15 3.251 8.618 -12.256 1.00 0.00 C ATOM 216 O SER A 15 4.337 9.151 -12.372 1.00 0.00 O ATOM 217 CB SER A 15 2.463 10.758 -11.236 1.00 0.00 C ATOM 218 OG SER A 15 3.129 11.504 -12.245 1.00 0.00 O ATOM 0 H SER A 15 1.816 7.910 -10.312 1.00 0.00 H new ATOM 0 HA SER A 15 1.371 9.580 -12.673 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.598 11.311 -10.869 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.126 10.602 -10.385 1.00 0.00 H new ATOM 0 HG SER A 15 3.864 10.971 -12.614 1.00 0.00 H new ATOM 224 N LEU A 16 3.090 7.347 -12.504 1.00 0.00 N ATOM 225 CA LEU A 16 4.252 6.522 -12.939 1.00 0.00 C ATOM 226 C LEU A 16 3.746 5.230 -13.586 1.00 0.00 C ATOM 227 O LEU A 16 2.560 4.973 -13.636 1.00 0.00 O ATOM 228 CB LEU A 16 5.118 6.182 -11.724 1.00 0.00 C ATOM 229 CG LEU A 16 4.400 5.149 -10.853 1.00 0.00 C ATOM 230 CD1 LEU A 16 5.323 4.711 -9.714 1.00 0.00 C ATOM 231 CD2 LEU A 16 3.130 5.770 -10.268 1.00 0.00 C ATOM 0 H LEU A 16 2.206 6.845 -12.424 1.00 0.00 H new ATOM 0 HA LEU A 16 4.846 7.081 -13.662 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.082 5.790 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.320 7.083 -11.145 1.00 0.00 H new ATOM 0 HG LEU A 16 4.136 4.283 -11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.811 3.975 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.229 4.269 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.587 5.577 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.618 5.035 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.395 6.636 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.471 6.083 -11.078 1.00 0.00 H new ATOM 243 N THR A 17 4.637 4.418 -14.084 1.00 0.00 N ATOM 244 CA THR A 17 4.208 3.146 -14.729 1.00 0.00 C ATOM 245 C THR A 17 4.049 2.060 -13.662 1.00 0.00 C ATOM 246 O THR A 17 4.193 2.310 -12.482 1.00 0.00 O ATOM 247 CB THR A 17 5.263 2.710 -15.749 1.00 0.00 C ATOM 248 OG1 THR A 17 6.197 3.764 -15.938 1.00 0.00 O ATOM 249 CG2 THR A 17 4.583 2.383 -17.079 1.00 0.00 C ATOM 0 H THR A 17 5.644 4.581 -14.072 1.00 0.00 H new ATOM 0 HA THR A 17 3.255 3.299 -15.235 1.00 0.00 H new ATOM 0 HB THR A 17 5.782 1.824 -15.382 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.875 3.487 -16.589 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.334 2.073 -17.805 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.865 1.576 -16.932 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.064 3.267 -17.449 1.00 0.00 H new ATOM 257 N ARG A 18 3.753 0.856 -14.067 1.00 0.00 N ATOM 258 CA ARG A 18 3.584 -0.243 -13.074 1.00 0.00 C ATOM 259 C ARG A 18 4.957 -0.688 -12.566 1.00 0.00 C ATOM 260 O ARG A 18 5.142 -0.940 -11.391 1.00 0.00 O ATOM 261 CB ARG A 18 2.875 -1.427 -13.735 1.00 0.00 C ATOM 262 CG ARG A 18 3.648 -1.860 -14.982 1.00 0.00 C ATOM 263 CD ARG A 18 3.005 -3.115 -15.574 1.00 0.00 C ATOM 264 NE ARG A 18 3.546 -4.321 -14.886 1.00 0.00 N ATOM 265 CZ ARG A 18 2.937 -5.469 -15.007 1.00 0.00 C ATOM 266 NH1 ARG A 18 2.910 -6.077 -16.162 1.00 0.00 N ATOM 267 NH2 ARG A 18 2.355 -6.010 -13.972 1.00 0.00 N ATOM 0 H ARG A 18 3.621 0.585 -15.042 1.00 0.00 H new ATOM 0 HA ARG A 18 2.985 0.115 -12.236 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.803 -2.258 -13.033 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.856 -1.149 -14.005 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.648 -1.057 -15.719 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.689 -2.058 -14.726 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.922 -3.072 -15.457 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.208 -3.171 -16.643 1.00 0.00 H new ATOM 0 HE ARG A 18 4.392 -4.249 -14.321 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.365 -5.655 -16.971 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.434 -6.974 -16.255 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.376 -5.536 -13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.879 -6.907 -14.066 1.00 0.00 H new ATOM 281 N ALA A 19 5.922 -0.786 -13.438 1.00 0.00 N ATOM 282 CA ALA A 19 7.280 -1.212 -13.003 1.00 0.00 C ATOM 283 C ALA A 19 8.056 0.003 -12.493 1.00 0.00 C ATOM 284 O ALA A 19 9.056 -0.125 -11.814 1.00 0.00 O ATOM 285 CB ALA A 19 8.024 -1.835 -14.186 1.00 0.00 C ATOM 0 H ALA A 19 5.828 -0.589 -14.434 1.00 0.00 H new ATOM 0 HA ALA A 19 7.191 -1.948 -12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.019 -2.147 -13.867 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.471 -2.702 -14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.113 -1.101 -14.987 1.00 0.00 H new ATOM 291 N GLN A 20 7.605 1.184 -12.817 1.00 0.00 N ATOM 292 CA GLN A 20 8.317 2.408 -12.351 1.00 0.00 C ATOM 293 C GLN A 20 8.161 2.542 -10.835 1.00 0.00 C ATOM 294 O GLN A 20 8.943 3.199 -10.177 1.00 0.00 O ATOM 295 CB GLN A 20 7.717 3.637 -13.037 1.00 0.00 C ATOM 296 CG GLN A 20 8.840 4.496 -13.620 1.00 0.00 C ATOM 297 CD GLN A 20 8.623 5.957 -13.221 1.00 0.00 C ATOM 298 OE1 GLN A 20 9.186 6.423 -12.250 1.00 0.00 O ATOM 299 NE2 GLN A 20 7.827 6.704 -13.935 1.00 0.00 N ATOM 0 H GLN A 20 6.774 1.354 -13.384 1.00 0.00 H new ATOM 0 HA GLN A 20 9.375 2.332 -12.601 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.034 3.328 -13.828 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.135 4.218 -12.322 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.806 4.148 -13.255 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.857 4.403 -14.706 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.355 6.312 -14.750 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.677 7.680 -13.678 1.00 0.00 H new ATOM 308 N ALA A 21 7.157 1.924 -10.275 1.00 0.00 N ATOM 309 CA ALA A 21 6.953 2.016 -8.801 1.00 0.00 C ATOM 310 C ALA A 21 8.134 1.361 -8.081 1.00 0.00 C ATOM 311 O ALA A 21 8.439 1.684 -6.951 1.00 0.00 O ATOM 312 CB ALA A 21 5.658 1.296 -8.420 1.00 0.00 C ATOM 0 H ALA A 21 6.469 1.360 -10.774 1.00 0.00 H new ATOM 0 HA ALA A 21 6.885 3.064 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.508 1.363 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.817 1.763 -8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.725 0.248 -8.713 1.00 0.00 H new ATOM 318 N GLU A 22 8.799 0.445 -8.729 1.00 0.00 N ATOM 319 CA GLU A 22 9.960 -0.230 -8.082 1.00 0.00 C ATOM 320 C GLU A 22 11.147 0.736 -8.033 1.00 0.00 C ATOM 321 O GLU A 22 11.882 0.785 -7.066 1.00 0.00 O ATOM 322 CB GLU A 22 10.345 -1.469 -8.897 1.00 0.00 C ATOM 323 CG GLU A 22 9.934 -2.734 -8.138 1.00 0.00 C ATOM 324 CD GLU A 22 10.845 -2.919 -6.922 1.00 0.00 C ATOM 325 OE1 GLU A 22 11.157 -1.929 -6.284 1.00 0.00 O ATOM 326 OE2 GLU A 22 11.216 -4.050 -6.652 1.00 0.00 O ATOM 0 H GLU A 22 8.589 0.135 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 22 9.691 -0.528 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.856 -1.442 -9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.419 -1.476 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.895 -2.658 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.003 -3.602 -8.793 1.00 0.00 H new ATOM 333 N HIS A 23 11.341 1.503 -9.071 1.00 0.00 N ATOM 334 CA HIS A 23 12.480 2.464 -9.086 1.00 0.00 C ATOM 335 C HIS A 23 12.196 3.614 -8.118 1.00 0.00 C ATOM 336 O HIS A 23 13.097 4.184 -7.535 1.00 0.00 O ATOM 337 CB HIS A 23 12.661 3.019 -10.501 1.00 0.00 C ATOM 338 CG HIS A 23 13.914 2.450 -11.103 1.00 0.00 C ATOM 339 ND1 HIS A 23 14.270 1.119 -10.950 1.00 0.00 N ATOM 340 CD2 HIS A 23 14.908 3.017 -11.863 1.00 0.00 C ATOM 341 CE1 HIS A 23 15.432 0.931 -11.601 1.00 0.00 C ATOM 342 NE2 HIS A 23 15.865 2.056 -12.176 1.00 0.00 N ATOM 0 H HIS A 23 10.760 1.506 -9.909 1.00 0.00 H new ATOM 0 HA HIS A 23 13.390 1.950 -8.778 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.799 2.763 -11.117 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.720 4.107 -10.472 1.00 0.00 H new ATOM 0 HD2 HIS A 23 14.942 4.052 -12.171 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.952 -0.014 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.714 2.184 -12.726 1.00 0.00 H new ATOM 350 N MET A 24 10.951 3.961 -7.940 1.00 0.00 N ATOM 351 CA MET A 24 10.614 5.073 -7.007 1.00 0.00 C ATOM 352 C MET A 24 10.879 4.626 -5.568 1.00 0.00 C ATOM 353 O MET A 24 11.543 5.304 -4.809 1.00 0.00 O ATOM 354 CB MET A 24 9.136 5.441 -7.162 1.00 0.00 C ATOM 355 CG MET A 24 8.818 5.669 -8.640 1.00 0.00 C ATOM 356 SD MET A 24 8.335 7.395 -8.893 1.00 0.00 S ATOM 357 CE MET A 24 9.946 8.000 -9.454 1.00 0.00 C ATOM 0 H MET A 24 10.153 3.523 -8.400 1.00 0.00 H new ATOM 0 HA MET A 24 11.230 5.942 -7.239 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.508 4.644 -6.763 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.912 6.340 -6.588 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.688 5.430 -9.251 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.014 5.005 -8.957 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.820 8.962 -9.951 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.609 8.118 -8.597 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.380 7.285 -10.153 1.00 0.00 H new ATOM 367 N LEU A 25 10.364 3.490 -5.188 1.00 0.00 N ATOM 368 CA LEU A 25 10.583 2.996 -3.800 1.00 0.00 C ATOM 369 C LEU A 25 12.078 2.759 -3.573 1.00 0.00 C ATOM 370 O LEU A 25 12.568 2.829 -2.463 1.00 0.00 O ATOM 371 CB LEU A 25 9.819 1.685 -3.603 1.00 0.00 C ATOM 372 CG LEU A 25 8.321 1.975 -3.491 1.00 0.00 C ATOM 373 CD1 LEU A 25 7.582 0.701 -3.077 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.088 3.059 -2.437 1.00 0.00 C ATOM 0 H LEU A 25 9.800 2.881 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 25 10.223 3.737 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.008 1.013 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.170 1.180 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 25 7.947 2.317 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.515 0.909 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.746 -0.074 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.958 0.359 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.021 3.266 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.464 2.716 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.613 3.969 -2.729 1.00 0.00 H new ATOM 386 N MET A 26 12.806 2.471 -4.616 1.00 0.00 N ATOM 387 CA MET A 26 14.267 2.225 -4.462 1.00 0.00 C ATOM 388 C MET A 26 15.031 3.553 -4.511 1.00 0.00 C ATOM 389 O MET A 26 16.163 3.640 -4.081 1.00 0.00 O ATOM 390 CB MET A 26 14.751 1.320 -5.597 1.00 0.00 C ATOM 391 CG MET A 26 16.278 1.246 -5.571 1.00 0.00 C ATOM 392 SD MET A 26 16.808 -0.451 -5.910 1.00 0.00 S ATOM 393 CE MET A 26 18.533 -0.254 -5.403 1.00 0.00 C ATOM 0 H MET A 26 12.452 2.395 -5.569 1.00 0.00 H new ATOM 0 HA MET A 26 14.449 1.743 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.326 0.322 -5.488 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.411 1.708 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.698 1.924 -6.314 1.00 0.00 H new ATOM 0 HG3 MET A 26 16.651 1.567 -4.599 1.00 0.00 H new ATOM 0 HE1 MET A 26 19.060 -1.199 -5.531 1.00 0.00 H new ATOM 0 HE2 MET A 26 19.007 0.512 -6.016 1.00 0.00 H new ATOM 0 HE3 MET A 26 18.573 0.044 -4.355 1.00 0.00 H new ATOM 403 N ARG A 27 14.431 4.584 -5.044 1.00 0.00 N ATOM 404 CA ARG A 27 15.141 5.893 -5.131 1.00 0.00 C ATOM 405 C ARG A 27 14.594 6.872 -4.085 1.00 0.00 C ATOM 406 O ARG A 27 14.903 8.046 -4.108 1.00 0.00 O ATOM 407 CB ARG A 27 14.942 6.487 -6.528 1.00 0.00 C ATOM 408 CG ARG A 27 15.973 5.891 -7.490 1.00 0.00 C ATOM 409 CD ARG A 27 16.254 6.887 -8.618 1.00 0.00 C ATOM 410 NE ARG A 27 17.147 6.255 -9.630 1.00 0.00 N ATOM 411 CZ ARG A 27 17.277 6.793 -10.813 1.00 0.00 C ATOM 412 NH1 ARG A 27 16.233 7.277 -11.427 1.00 0.00 N ATOM 413 NH2 ARG A 27 18.450 6.847 -11.381 1.00 0.00 N ATOM 0 H ARG A 27 13.483 4.577 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 27 16.202 5.729 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.933 6.276 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.047 7.571 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.895 5.661 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.601 4.953 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.319 7.196 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.722 7.786 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 27 17.657 5.402 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.316 7.235 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.334 7.697 -12.351 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.267 6.469 -10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.550 7.267 -12.305 1.00 0.00 H new ATOM 427 N VAL A 28 13.790 6.409 -3.169 1.00 0.00 N ATOM 428 CA VAL A 28 13.240 7.325 -2.138 1.00 0.00 C ATOM 429 C VAL A 28 14.242 7.458 -0.988 1.00 0.00 C ATOM 430 O VAL A 28 15.030 6.565 -0.746 1.00 0.00 O ATOM 431 CB VAL A 28 11.926 6.759 -1.606 1.00 0.00 C ATOM 432 CG1 VAL A 28 10.790 7.094 -2.573 1.00 0.00 C ATOM 433 CG2 VAL A 28 12.034 5.240 -1.452 1.00 0.00 C ATOM 0 H VAL A 28 13.492 5.437 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 28 13.061 8.306 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 28 11.718 7.204 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.854 6.688 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.703 8.176 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.002 6.657 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.092 4.845 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.251 4.791 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.836 5.001 -0.753 1.00 0.00 H new ATOM 443 N PRO A 29 14.178 8.578 -0.318 1.00 0.00 N ATOM 444 CA PRO A 29 15.046 8.930 0.834 1.00 0.00 C ATOM 445 C PRO A 29 14.510 8.288 2.120 1.00 0.00 C ATOM 446 O PRO A 29 14.550 8.879 3.181 1.00 0.00 O ATOM 447 CB PRO A 29 14.982 10.450 0.942 1.00 0.00 C ATOM 448 CG PRO A 29 13.672 10.872 0.266 1.00 0.00 C ATOM 449 CD PRO A 29 13.228 9.689 -0.606 1.00 0.00 C ATOM 0 HA PRO A 29 16.067 8.573 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.002 10.767 1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.839 10.912 0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.912 11.112 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.819 11.766 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.205 9.396 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.250 9.955 -1.663 1.00 0.00 H new ATOM 457 N ARG A 30 14.012 7.086 2.036 1.00 0.00 N ATOM 458 CA ARG A 30 13.477 6.413 3.253 1.00 0.00 C ATOM 459 C ARG A 30 13.718 4.906 3.148 1.00 0.00 C ATOM 460 O ARG A 30 13.525 4.309 2.108 1.00 0.00 O ATOM 461 CB ARG A 30 11.976 6.685 3.369 1.00 0.00 C ATOM 462 CG ARG A 30 11.743 7.906 4.261 1.00 0.00 C ATOM 463 CD ARG A 30 11.166 9.050 3.424 1.00 0.00 C ATOM 464 NE ARG A 30 9.706 8.831 3.223 1.00 0.00 N ATOM 465 CZ ARG A 30 8.950 9.810 2.807 1.00 0.00 C ATOM 466 NH1 ARG A 30 9.481 10.828 2.186 1.00 0.00 N ATOM 467 NH2 ARG A 30 7.661 9.772 3.013 1.00 0.00 N ATOM 0 H ARG A 30 13.952 6.540 1.177 1.00 0.00 H new ATOM 0 HA ARG A 30 13.984 6.801 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.550 6.858 2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.470 5.815 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.058 7.653 5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.681 8.216 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.336 10.003 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.673 9.101 2.460 1.00 0.00 H new ATOM 0 HE ARG A 30 9.297 7.916 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.488 10.859 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.889 11.593 1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.245 8.977 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.070 10.537 2.688 1.00 0.00 H new ATOM 481 N ASP A 31 14.137 4.287 4.217 1.00 0.00 N ATOM 482 CA ASP A 31 14.390 2.818 4.176 1.00 0.00 C ATOM 483 C ASP A 31 13.277 2.087 4.929 1.00 0.00 C ATOM 484 O ASP A 31 13.444 1.682 6.062 1.00 0.00 O ATOM 485 CB ASP A 31 15.736 2.516 4.836 1.00 0.00 C ATOM 486 CG ASP A 31 16.710 1.979 3.785 1.00 0.00 C ATOM 487 OD1 ASP A 31 16.454 2.184 2.610 1.00 0.00 O ATOM 488 OD2 ASP A 31 17.694 1.372 4.173 1.00 0.00 O ATOM 0 H ASP A 31 14.315 4.734 5.117 1.00 0.00 H new ATOM 0 HA ASP A 31 14.409 2.481 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.140 3.419 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.606 1.785 5.634 1.00 0.00 H new ATOM 493 N GLY A 32 12.141 1.914 4.309 1.00 0.00 N ATOM 494 CA GLY A 32 11.019 1.209 4.993 1.00 0.00 C ATOM 495 C GLY A 32 9.829 2.159 5.135 1.00 0.00 C ATOM 496 O GLY A 32 9.818 3.029 5.983 1.00 0.00 O ATOM 0 H GLY A 32 11.941 2.230 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.728 0.327 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.339 0.861 5.975 1.00 0.00 H new ATOM 500 N ALA A 33 8.828 2.003 4.311 1.00 0.00 N ATOM 501 CA ALA A 33 7.644 2.905 4.407 1.00 0.00 C ATOM 502 C ALA A 33 6.457 2.285 3.667 1.00 0.00 C ATOM 503 O ALA A 33 6.622 1.561 2.705 1.00 0.00 O ATOM 504 CB ALA A 33 7.983 4.259 3.778 1.00 0.00 C ATOM 0 H ALA A 33 8.778 1.294 3.579 1.00 0.00 H new ATOM 0 HA ALA A 33 7.382 3.042 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.118 4.919 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.824 4.706 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.248 4.117 2.730 1.00 0.00 H new ATOM 510 N PHE A 34 5.260 2.564 4.109 1.00 0.00 N ATOM 511 CA PHE A 34 4.065 1.989 3.429 1.00 0.00 C ATOM 512 C PHE A 34 3.344 3.084 2.637 1.00 0.00 C ATOM 513 O PHE A 34 3.096 4.165 3.136 1.00 0.00 O ATOM 514 CB PHE A 34 3.113 1.397 4.473 1.00 0.00 C ATOM 515 CG PHE A 34 2.431 2.509 5.233 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.259 3.085 4.729 1.00 0.00 C ATOM 517 CD2 PHE A 34 2.971 2.965 6.442 1.00 0.00 C ATOM 518 CE1 PHE A 34 0.625 4.116 5.435 1.00 0.00 C ATOM 519 CE2 PHE A 34 2.337 3.994 7.148 1.00 0.00 C ATOM 520 CZ PHE A 34 1.165 4.570 6.644 1.00 0.00 C ATOM 0 H PHE A 34 5.059 3.164 4.909 1.00 0.00 H new ATOM 0 HA PHE A 34 4.385 1.202 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.369 0.768 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.666 0.759 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.843 2.735 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.877 2.523 6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.280 4.560 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.752 4.344 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.677 5.365 7.188 1.00 0.00 H new ATOM 530 N LEU A 35 3.008 2.813 1.403 1.00 0.00 N ATOM 531 CA LEU A 35 2.305 3.836 0.576 1.00 0.00 C ATOM 532 C LEU A 35 1.257 3.149 -0.307 1.00 0.00 C ATOM 533 O LEU A 35 1.033 1.959 -0.210 1.00 0.00 O ATOM 534 CB LEU A 35 3.318 4.558 -0.314 1.00 0.00 C ATOM 535 CG LEU A 35 4.513 5.007 0.529 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.574 3.905 0.541 1.00 0.00 C ATOM 537 CD2 LEU A 35 5.111 6.280 -0.076 1.00 0.00 C ATOM 0 H LEU A 35 3.190 1.927 0.932 1.00 0.00 H new ATOM 0 HA LEU A 35 1.816 4.556 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.652 3.896 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.850 5.421 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 35 4.184 5.205 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.425 4.226 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.150 2.996 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.904 3.707 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.963 6.602 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.440 6.079 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.357 7.067 -0.087 1.00 0.00 H new ATOM 549 N VAL A 36 0.618 3.893 -1.171 1.00 0.00 N ATOM 550 CA VAL A 36 -0.409 3.287 -2.066 1.00 0.00 C ATOM 551 C VAL A 36 -0.468 4.082 -3.374 1.00 0.00 C ATOM 552 O VAL A 36 0.091 5.155 -3.480 1.00 0.00 O ATOM 553 CB VAL A 36 -1.776 3.329 -1.380 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.762 2.450 -2.152 1.00 0.00 C ATOM 555 CG2 VAL A 36 -1.641 2.806 0.052 1.00 0.00 C ATOM 0 H VAL A 36 0.764 4.895 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.145 2.251 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.143 4.355 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.736 2.480 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.857 2.820 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.397 1.423 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.614 2.835 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.275 1.779 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.938 3.431 0.603 1.00 0.00 H new ATOM 565 N ARG A 37 -1.134 3.568 -4.371 1.00 0.00 N ATOM 566 CA ARG A 37 -1.217 4.306 -5.663 1.00 0.00 C ATOM 567 C ARG A 37 -2.316 3.699 -6.534 1.00 0.00 C ATOM 568 O ARG A 37 -3.099 2.883 -6.088 1.00 0.00 O ATOM 569 CB ARG A 37 0.125 4.208 -6.392 1.00 0.00 C ATOM 570 CG ARG A 37 0.557 2.742 -6.473 1.00 0.00 C ATOM 571 CD ARG A 37 1.446 2.405 -5.275 1.00 0.00 C ATOM 572 NE ARG A 37 2.492 3.456 -5.118 1.00 0.00 N ATOM 573 CZ ARG A 37 3.048 3.992 -6.171 1.00 0.00 C ATOM 574 NH1 ARG A 37 3.246 3.272 -7.240 1.00 0.00 N ATOM 575 NH2 ARG A 37 3.405 5.247 -6.153 1.00 0.00 N ATOM 0 H ARG A 37 -1.622 2.673 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.450 5.352 -5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.038 4.628 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.880 4.792 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.319 2.094 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.097 2.562 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.843 2.339 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.913 1.431 -5.419 1.00 0.00 H new ATOM 0 HE ARG A 37 2.774 3.757 -4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.967 2.291 -7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.680 3.690 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.250 5.809 -5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.839 5.666 -6.976 1.00 0.00 H new ATOM 589 N LYS A 38 -2.377 4.087 -7.778 1.00 0.00 N ATOM 590 CA LYS A 38 -3.420 3.532 -8.684 1.00 0.00 C ATOM 591 C LYS A 38 -2.755 3.000 -9.953 1.00 0.00 C ATOM 592 O LYS A 38 -1.830 3.592 -10.476 1.00 0.00 O ATOM 593 CB LYS A 38 -4.416 4.633 -9.054 1.00 0.00 C ATOM 594 CG LYS A 38 -4.932 5.305 -7.781 1.00 0.00 C ATOM 595 CD LYS A 38 -6.406 4.952 -7.578 1.00 0.00 C ATOM 596 CE LYS A 38 -6.606 4.393 -6.168 1.00 0.00 C ATOM 597 NZ LYS A 38 -8.055 4.438 -5.817 1.00 0.00 N ATOM 0 H LYS A 38 -1.748 4.766 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.947 2.722 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.936 5.370 -9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.248 4.211 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.347 4.977 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.813 6.386 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.026 5.837 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.721 4.218 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.240 3.368 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.028 4.974 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.174 4.901 -4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.572 4.974 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.431 3.469 -5.769 1.00 0.00 H new ATOM 611 N ARG A 39 -3.217 1.890 -10.456 1.00 0.00 N ATOM 612 CA ARG A 39 -2.610 1.323 -11.692 1.00 0.00 C ATOM 613 C ARG A 39 -3.063 2.146 -12.899 1.00 0.00 C ATOM 614 O ARG A 39 -3.582 3.236 -12.758 1.00 0.00 O ATOM 615 CB ARG A 39 -3.064 -0.129 -11.856 1.00 0.00 C ATOM 616 CG ARG A 39 -2.002 -1.061 -11.272 1.00 0.00 C ATOM 617 CD ARG A 39 -0.661 -0.804 -11.963 1.00 0.00 C ATOM 618 NE ARG A 39 0.002 -2.104 -12.270 1.00 0.00 N ATOM 619 CZ ARG A 39 -0.099 -3.104 -11.438 1.00 0.00 C ATOM 620 NH1 ARG A 39 -0.295 -2.877 -10.167 1.00 0.00 N ATOM 621 NH2 ARG A 39 -0.004 -4.329 -11.874 1.00 0.00 N ATOM 0 H ARG A 39 -3.989 1.351 -10.065 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.523 1.356 -11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.017 -0.283 -11.350 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.223 -0.355 -12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.908 -0.895 -10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.300 -2.100 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.817 -0.238 -12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.020 -0.200 -11.321 1.00 0.00 H new ATOM 0 HE ARG A 39 0.536 -2.212 -13.133 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.369 -1.919 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.374 -3.658 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.149 -4.507 -12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.083 -5.110 -11.222 1.00 0.00 H new ATOM 635 N ASN A 40 -2.875 1.638 -14.086 1.00 0.00 N ATOM 636 CA ASN A 40 -3.301 2.396 -15.296 1.00 0.00 C ATOM 637 C ASN A 40 -4.771 2.094 -15.596 1.00 0.00 C ATOM 638 O ASN A 40 -5.163 1.933 -16.735 1.00 0.00 O ATOM 639 CB ASN A 40 -2.439 1.978 -16.490 1.00 0.00 C ATOM 640 CG ASN A 40 -2.811 0.558 -16.916 1.00 0.00 C ATOM 641 OD1 ASN A 40 -3.166 -0.263 -16.093 1.00 0.00 O ATOM 642 ND2 ASN A 40 -2.746 0.230 -18.177 1.00 0.00 N ATOM 0 H ASN A 40 -2.445 0.732 -14.270 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.179 3.464 -15.117 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.589 2.669 -17.320 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.383 2.024 -16.224 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.993 -0.715 -18.472 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.448 0.918 -18.868 1.00 0.00 H new ATOM 649 N GLU A 41 -5.590 2.015 -14.581 1.00 0.00 N ATOM 650 CA GLU A 41 -7.033 1.723 -14.803 1.00 0.00 C ATOM 651 C GLU A 41 -7.859 2.391 -13.701 1.00 0.00 C ATOM 652 O GLU A 41 -7.371 2.617 -12.611 1.00 0.00 O ATOM 653 CB GLU A 41 -7.258 0.210 -14.764 1.00 0.00 C ATOM 654 CG GLU A 41 -6.198 -0.487 -15.619 1.00 0.00 C ATOM 655 CD GLU A 41 -6.553 -1.968 -15.762 1.00 0.00 C ATOM 656 OE1 GLU A 41 -7.646 -2.253 -16.223 1.00 0.00 O ATOM 657 OE2 GLU A 41 -5.727 -2.793 -15.407 1.00 0.00 O ATOM 0 H GLU A 41 -5.319 2.141 -13.606 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.340 2.110 -15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.205 -0.150 -13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.255 -0.030 -15.135 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.142 -0.019 -16.602 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.216 -0.380 -15.159 1.00 0.00 H new ATOM 664 N PRO A 42 -9.086 2.688 -14.026 1.00 0.00 N ATOM 665 CA PRO A 42 -10.068 3.341 -13.122 1.00 0.00 C ATOM 666 C PRO A 42 -10.660 2.314 -12.157 1.00 0.00 C ATOM 667 O PRO A 42 -11.441 2.643 -11.287 1.00 0.00 O ATOM 668 CB PRO A 42 -11.160 3.891 -14.033 1.00 0.00 C ATOM 669 CG PRO A 42 -11.099 3.058 -15.316 1.00 0.00 C ATOM 670 CD PRO A 42 -9.702 2.421 -15.354 1.00 0.00 C ATOM 0 HA PRO A 42 -9.606 4.125 -12.522 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.139 3.810 -13.561 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.995 4.947 -14.246 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.875 2.293 -15.319 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.265 3.683 -16.193 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.768 1.350 -15.544 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.100 2.850 -16.155 1.00 0.00 H new ATOM 678 N ASN A 43 -10.299 1.072 -12.307 1.00 0.00 N ATOM 679 CA ASN A 43 -10.849 0.027 -11.401 1.00 0.00 C ATOM 680 C ASN A 43 -9.718 -0.890 -10.928 1.00 0.00 C ATOM 681 O ASN A 43 -9.638 -2.038 -11.318 1.00 0.00 O ATOM 682 CB ASN A 43 -11.895 -0.801 -12.153 1.00 0.00 C ATOM 683 CG ASN A 43 -11.443 -1.002 -13.600 1.00 0.00 C ATOM 684 OD1 ASN A 43 -11.471 -0.080 -14.392 1.00 0.00 O ATOM 685 ND2 ASN A 43 -11.024 -2.177 -13.983 1.00 0.00 N ATOM 0 H ASN A 43 -9.648 0.735 -13.016 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.313 0.505 -10.538 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.029 -1.767 -11.665 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.860 -0.295 -12.129 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.720 -2.321 -14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.000 -2.951 -13.319 1.00 0.00 H new ATOM 692 N SER A 44 -8.848 -0.391 -10.088 1.00 0.00 N ATOM 693 CA SER A 44 -7.719 -1.226 -9.583 1.00 0.00 C ATOM 694 C SER A 44 -6.677 -0.326 -8.915 1.00 0.00 C ATOM 695 O SER A 44 -6.424 0.778 -9.353 1.00 0.00 O ATOM 696 CB SER A 44 -7.062 -1.970 -10.748 1.00 0.00 C ATOM 697 OG SER A 44 -7.256 -1.230 -11.945 1.00 0.00 O ATOM 0 H SER A 44 -8.872 0.563 -9.729 1.00 0.00 H new ATOM 0 HA SER A 44 -8.104 -1.946 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.997 -2.102 -10.556 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.493 -2.966 -10.848 1.00 0.00 H new ATOM 0 HG SER A 44 -7.751 -1.776 -12.591 1.00 0.00 H new ATOM 703 N TYR A 45 -6.069 -0.793 -7.858 1.00 0.00 N ATOM 704 CA TYR A 45 -5.041 0.033 -7.162 1.00 0.00 C ATOM 705 C TYR A 45 -3.827 -0.840 -6.841 1.00 0.00 C ATOM 706 O TYR A 45 -3.794 -2.011 -7.165 1.00 0.00 O ATOM 707 CB TYR A 45 -5.624 0.593 -5.862 1.00 0.00 C ATOM 708 CG TYR A 45 -7.106 0.834 -6.034 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.562 1.693 -7.039 1.00 0.00 C ATOM 710 CD2 TYR A 45 -8.022 0.199 -5.186 1.00 0.00 C ATOM 711 CE1 TYR A 45 -8.934 1.920 -7.198 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.395 0.425 -5.346 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.850 1.286 -6.351 1.00 0.00 C ATOM 714 OH TYR A 45 -11.201 1.510 -6.508 1.00 0.00 O ATOM 0 H TYR A 45 -6.240 -1.711 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.740 0.859 -7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.451 -0.106 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.122 1.524 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.855 2.182 -7.693 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.670 -0.464 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.285 2.584 -7.974 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.103 -0.065 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.697 1.005 -5.830 1.00 0.00 H new ATOM 724 N ALA A 46 -2.828 -0.289 -6.207 1.00 0.00 N ATOM 725 CA ALA A 46 -1.626 -1.105 -5.873 1.00 0.00 C ATOM 726 C ALA A 46 -0.862 -0.446 -4.724 1.00 0.00 C ATOM 727 O ALA A 46 -0.678 0.753 -4.693 1.00 0.00 O ATOM 728 CB ALA A 46 -0.720 -1.210 -7.101 1.00 0.00 C ATOM 0 H ALA A 46 -2.792 0.685 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.940 -2.104 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.158 -1.807 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.265 -1.686 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.406 -0.212 -7.408 1.00 0.00 H new ATOM 734 N ILE A 47 -0.421 -1.225 -3.776 1.00 0.00 N ATOM 735 CA ILE A 47 0.323 -0.653 -2.621 1.00 0.00 C ATOM 736 C ILE A 47 1.822 -0.618 -2.932 1.00 0.00 C ATOM 737 O ILE A 47 2.356 -1.497 -3.575 1.00 0.00 O ATOM 738 CB ILE A 47 0.081 -1.530 -1.391 1.00 0.00 C ATOM 739 CG1 ILE A 47 -1.401 -1.471 -1.007 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.929 -1.033 -0.220 1.00 0.00 C ATOM 741 CD1 ILE A 47 -1.684 -2.496 0.093 1.00 0.00 C ATOM 0 H ILE A 47 -0.545 -2.237 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.025 0.362 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 47 0.360 -2.558 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.658 -0.470 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.022 -1.676 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.751 -1.663 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.984 -1.078 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.658 -0.004 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.738 -2.454 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.442 -3.495 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.073 -2.270 0.967 1.00 0.00 H new ATOM 753 N SER A 48 2.505 0.390 -2.468 1.00 0.00 N ATOM 754 CA SER A 48 3.971 0.479 -2.719 1.00 0.00 C ATOM 755 C SER A 48 4.682 0.713 -1.388 1.00 0.00 C ATOM 756 O SER A 48 4.622 1.788 -0.823 1.00 0.00 O ATOM 757 CB SER A 48 4.261 1.640 -3.670 1.00 0.00 C ATOM 758 OG SER A 48 4.181 2.866 -2.955 1.00 0.00 O ATOM 0 H SER A 48 2.111 1.158 -1.925 1.00 0.00 H new ATOM 0 HA SER A 48 4.327 -0.446 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.252 1.526 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.546 1.638 -4.493 1.00 0.00 H new ATOM 0 HG SER A 48 4.843 2.867 -2.233 1.00 0.00 H new ATOM 764 N PHE A 49 5.347 -0.283 -0.873 1.00 0.00 N ATOM 765 CA PHE A 49 6.046 -0.107 0.429 1.00 0.00 C ATOM 766 C PHE A 49 7.442 -0.725 0.357 1.00 0.00 C ATOM 767 O PHE A 49 7.614 -1.850 -0.067 1.00 0.00 O ATOM 768 CB PHE A 49 5.238 -0.791 1.534 1.00 0.00 C ATOM 769 CG PHE A 49 4.946 -2.217 1.138 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.995 -2.486 0.147 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.623 -3.270 1.765 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.720 -3.808 -0.217 1.00 0.00 C ATOM 773 CE2 PHE A 49 5.348 -4.593 1.400 1.00 0.00 C ATOM 774 CZ PHE A 49 4.396 -4.862 0.410 1.00 0.00 C ATOM 0 H PHE A 49 5.436 -1.207 -1.295 1.00 0.00 H new ATOM 0 HA PHE A 49 6.138 0.957 0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.794 -0.770 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.306 -0.252 1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.474 -1.673 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.357 -3.062 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.986 -4.016 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.870 -5.406 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.183 -5.883 0.129 1.00 0.00 H new ATOM 784 N ARG A 50 8.440 0.003 0.774 1.00 0.00 N ATOM 785 CA ARG A 50 9.826 -0.538 0.738 1.00 0.00 C ATOM 786 C ARG A 50 10.183 -1.097 2.115 1.00 0.00 C ATOM 787 O ARG A 50 9.481 -0.877 3.083 1.00 0.00 O ATOM 788 CB ARG A 50 10.805 0.581 0.369 1.00 0.00 C ATOM 789 CG ARG A 50 10.809 1.645 1.470 1.00 0.00 C ATOM 790 CD ARG A 50 9.754 2.708 1.158 1.00 0.00 C ATOM 791 NE ARG A 50 10.323 4.061 1.401 1.00 0.00 N ATOM 792 CZ ARG A 50 9.724 5.115 0.921 1.00 0.00 C ATOM 793 NH1 ARG A 50 9.374 5.150 -0.336 1.00 0.00 N ATOM 794 NH2 ARG A 50 9.473 6.134 1.696 1.00 0.00 N ATOM 0 H ARG A 50 8.355 0.952 1.139 1.00 0.00 H new ATOM 0 HA ARG A 50 9.890 -1.331 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.807 0.173 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.519 1.029 -0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.602 1.184 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.794 2.106 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.429 2.620 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.873 2.555 1.782 1.00 0.00 H new ATOM 0 HE ARG A 50 11.181 4.164 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.569 4.353 -0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.905 5.974 -0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.745 6.107 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.004 6.958 1.319 1.00 0.00 H new ATOM 808 N ALA A 51 11.266 -1.816 2.214 1.00 0.00 N ATOM 809 CA ALA A 51 11.664 -2.387 3.528 1.00 0.00 C ATOM 810 C ALA A 51 13.170 -2.209 3.725 1.00 0.00 C ATOM 811 O ALA A 51 13.941 -3.135 3.566 1.00 0.00 O ATOM 812 CB ALA A 51 11.313 -3.875 3.568 1.00 0.00 C ATOM 0 H ALA A 51 11.893 -2.033 1.439 1.00 0.00 H new ATOM 0 HA ALA A 51 11.130 -1.870 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.605 -4.292 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.239 -3.999 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.844 -4.396 2.771 1.00 0.00 H new ATOM 818 N GLU A 52 13.594 -1.023 4.071 1.00 0.00 N ATOM 819 CA GLU A 52 15.050 -0.784 4.279 1.00 0.00 C ATOM 820 C GLU A 52 15.828 -1.263 3.048 1.00 0.00 C ATOM 821 O GLU A 52 15.964 -0.548 2.075 1.00 0.00 O ATOM 822 CB GLU A 52 15.521 -1.544 5.521 1.00 0.00 C ATOM 823 CG GLU A 52 17.034 -1.378 5.680 1.00 0.00 C ATOM 824 CD GLU A 52 17.613 -2.612 6.374 1.00 0.00 C ATOM 825 OE1 GLU A 52 17.389 -2.759 7.565 1.00 0.00 O ATOM 826 OE2 GLU A 52 18.274 -3.389 5.704 1.00 0.00 O ATOM 0 H GLU A 52 12.995 -0.211 4.218 1.00 0.00 H new ATOM 0 HA GLU A 52 15.228 0.282 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 52 15.008 -1.168 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.268 -2.600 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.500 -1.244 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.253 -0.483 6.263 1.00 0.00 H new ATOM 833 N GLY A 53 16.336 -2.465 3.080 1.00 0.00 N ATOM 834 CA GLY A 53 17.100 -2.979 1.908 1.00 0.00 C ATOM 835 C GLY A 53 16.230 -3.966 1.128 1.00 0.00 C ATOM 836 O GLY A 53 16.700 -4.983 0.656 1.00 0.00 O ATOM 0 H GLY A 53 16.255 -3.112 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.399 -2.152 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.015 -3.469 2.242 1.00 0.00 H new ATOM 840 N LYS A 54 14.965 -3.678 0.990 1.00 0.00 N ATOM 841 CA LYS A 54 14.069 -4.602 0.242 1.00 0.00 C ATOM 842 C LYS A 54 12.986 -3.797 -0.478 1.00 0.00 C ATOM 843 O LYS A 54 12.927 -2.587 -0.380 1.00 0.00 O ATOM 844 CB LYS A 54 13.412 -5.579 1.220 1.00 0.00 C ATOM 845 CG LYS A 54 13.739 -7.015 0.805 1.00 0.00 C ATOM 846 CD LYS A 54 14.916 -7.532 1.634 1.00 0.00 C ATOM 847 CE LYS A 54 14.555 -8.889 2.241 1.00 0.00 C ATOM 848 NZ LYS A 54 15.738 -9.795 2.171 1.00 0.00 N ATOM 0 H LYS A 54 14.514 -2.843 1.363 1.00 0.00 H new ATOM 0 HA LYS A 54 14.654 -5.158 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.769 -5.392 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.332 -5.429 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.868 -7.654 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.985 -7.051 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.803 -7.626 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.158 -6.821 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.240 -8.764 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.715 -9.328 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.493 -10.718 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.019 -9.923 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.528 -9.377 2.703 1.00 0.00 H new ATOM 862 N ILE A 55 12.126 -4.463 -1.200 1.00 0.00 N ATOM 863 CA ILE A 55 11.044 -3.744 -1.928 1.00 0.00 C ATOM 864 C ILE A 55 9.861 -4.692 -2.129 1.00 0.00 C ATOM 865 O ILE A 55 10.003 -5.766 -2.680 1.00 0.00 O ATOM 866 CB ILE A 55 11.563 -3.282 -3.290 1.00 0.00 C ATOM 867 CG1 ILE A 55 13.055 -2.952 -3.184 1.00 0.00 C ATOM 868 CG2 ILE A 55 10.797 -2.034 -3.732 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.602 -2.605 -4.570 1.00 0.00 C ATOM 0 H ILE A 55 12.127 -5.476 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 55 10.727 -2.876 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 55 11.417 -4.077 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.205 -2.115 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.598 -3.802 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.167 -1.705 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.735 -2.267 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.942 -1.240 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.664 -2.370 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.465 -3.455 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.067 -1.742 -4.967 1.00 0.00 H new ATOM 881 N LYS A 56 8.694 -4.312 -1.684 1.00 0.00 N ATOM 882 CA LYS A 56 7.512 -5.203 -1.851 1.00 0.00 C ATOM 883 C LYS A 56 6.302 -4.384 -2.305 1.00 0.00 C ATOM 884 O LYS A 56 5.983 -3.356 -1.740 1.00 0.00 O ATOM 885 CB LYS A 56 7.194 -5.882 -0.517 1.00 0.00 C ATOM 886 CG LYS A 56 8.003 -7.175 -0.392 1.00 0.00 C ATOM 887 CD LYS A 56 7.249 -8.164 0.498 1.00 0.00 C ATOM 888 CE LYS A 56 8.007 -8.351 1.813 1.00 0.00 C ATOM 889 NZ LYS A 56 9.044 -9.407 1.643 1.00 0.00 N ATOM 0 H LYS A 56 8.509 -3.426 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 56 7.737 -5.959 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.431 -5.212 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.128 -6.101 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.169 -7.610 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.985 -6.963 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.242 -7.796 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.144 -9.121 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.474 -7.413 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.315 -8.630 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.560 -9.534 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.587 -10.302 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.710 -9.122 0.897 1.00 0.00 H new ATOM 903 N HIS A 57 5.619 -4.843 -3.318 1.00 0.00 N ATOM 904 CA HIS A 57 4.420 -4.110 -3.815 1.00 0.00 C ATOM 905 C HIS A 57 3.221 -5.055 -3.778 1.00 0.00 C ATOM 906 O HIS A 57 3.375 -6.249 -3.651 1.00 0.00 O ATOM 907 CB HIS A 57 4.658 -3.640 -5.252 1.00 0.00 C ATOM 908 CG HIS A 57 6.122 -3.360 -5.454 1.00 0.00 C ATOM 909 ND1 HIS A 57 7.019 -4.354 -5.807 1.00 0.00 N ATOM 910 CD2 HIS A 57 6.860 -2.207 -5.349 1.00 0.00 C ATOM 911 CE1 HIS A 57 8.235 -3.788 -5.900 1.00 0.00 C ATOM 912 NE2 HIS A 57 8.195 -2.480 -5.631 1.00 0.00 N ATOM 0 H HIS A 57 5.841 -5.699 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 57 4.231 -3.240 -3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.323 -4.402 -5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.074 -2.742 -5.453 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.798 -5.337 -5.967 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.465 -1.237 -5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.135 -4.325 -6.161 1.00 0.00 H new ATOM 920 N CYS A 58 2.031 -4.543 -3.889 1.00 0.00 N ATOM 921 CA CYS A 58 0.842 -5.438 -3.859 1.00 0.00 C ATOM 922 C CYS A 58 -0.221 -4.898 -4.825 1.00 0.00 C ATOM 923 O CYS A 58 -0.149 -3.772 -5.271 1.00 0.00 O ATOM 924 CB CYS A 58 0.318 -5.530 -2.408 1.00 0.00 C ATOM 925 SG CYS A 58 -1.137 -4.472 -2.145 1.00 0.00 S ATOM 0 H CYS A 58 1.829 -3.549 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 58 1.104 -6.445 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.061 -6.564 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 58 1.109 -5.238 -1.717 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.217 -5.146 -2.408 1.00 0.00 H new ATOM 931 N ARG A 59 -1.197 -5.693 -5.159 1.00 0.00 N ATOM 932 CA ARG A 59 -2.243 -5.216 -6.105 1.00 0.00 C ATOM 933 C ARG A 59 -3.636 -5.488 -5.531 1.00 0.00 C ATOM 934 O ARG A 59 -4.006 -6.618 -5.280 1.00 0.00 O ATOM 935 CB ARG A 59 -2.085 -5.950 -7.437 1.00 0.00 C ATOM 936 CG ARG A 59 -2.160 -4.948 -8.588 1.00 0.00 C ATOM 937 CD ARG A 59 -3.615 -4.785 -9.025 1.00 0.00 C ATOM 938 NE ARG A 59 -4.154 -6.102 -9.473 1.00 0.00 N ATOM 939 CZ ARG A 59 -3.392 -6.934 -10.129 1.00 0.00 C ATOM 940 NH1 ARG A 59 -3.071 -6.684 -11.369 1.00 0.00 N ATOM 941 NH2 ARG A 59 -2.952 -8.015 -9.547 1.00 0.00 N ATOM 0 H ARG A 59 -1.316 -6.648 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.129 -4.143 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.131 -6.477 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.867 -6.701 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.753 -3.987 -8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.554 -5.293 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.212 -4.398 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.683 -4.059 -9.835 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.121 -6.353 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.416 -5.839 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.475 -7.334 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.203 -8.211 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.357 -8.665 -10.061 1.00 0.00 H new ATOM 955 N VAL A 60 -4.411 -4.458 -5.329 1.00 0.00 N ATOM 956 CA VAL A 60 -5.785 -4.647 -4.781 1.00 0.00 C ATOM 957 C VAL A 60 -6.786 -4.655 -5.938 1.00 0.00 C ATOM 958 O VAL A 60 -6.682 -3.875 -6.864 1.00 0.00 O ATOM 959 CB VAL A 60 -6.114 -3.500 -3.824 1.00 0.00 C ATOM 960 CG1 VAL A 60 -7.440 -3.784 -3.118 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.001 -3.374 -2.780 1.00 0.00 C ATOM 0 H VAL A 60 -4.151 -3.490 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.841 -5.592 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.195 -2.571 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.672 -2.965 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.234 -3.876 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.360 -4.714 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.234 -2.557 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.922 -4.305 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.054 -3.170 -3.280 1.00 0.00 H new ATOM 971 N GLN A 61 -7.753 -5.532 -5.899 1.00 0.00 N ATOM 972 CA GLN A 61 -8.749 -5.586 -7.007 1.00 0.00 C ATOM 973 C GLN A 61 -10.159 -5.400 -6.444 1.00 0.00 C ATOM 974 O GLN A 61 -10.606 -6.152 -5.600 1.00 0.00 O ATOM 975 CB GLN A 61 -8.658 -6.942 -7.710 1.00 0.00 C ATOM 976 CG GLN A 61 -8.951 -8.060 -6.708 1.00 0.00 C ATOM 977 CD GLN A 61 -8.145 -9.304 -7.080 1.00 0.00 C ATOM 978 OE1 GLN A 61 -8.509 -10.031 -7.984 1.00 0.00 O ATOM 979 NE2 GLN A 61 -7.055 -9.583 -6.418 1.00 0.00 N ATOM 0 H GLN A 61 -7.896 -6.211 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.537 -4.789 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.369 -6.984 -8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.665 -7.075 -8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.694 -7.735 -5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.016 -8.291 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.749 -8.974 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.509 -10.410 -6.659 1.00 0.00 H new ATOM 988 N GLN A 62 -10.863 -4.402 -6.905 1.00 0.00 N ATOM 989 CA GLN A 62 -12.244 -4.166 -6.398 1.00 0.00 C ATOM 990 C GLN A 62 -13.262 -4.589 -7.459 1.00 0.00 C ATOM 991 O GLN A 62 -12.914 -5.157 -8.475 1.00 0.00 O ATOM 992 CB GLN A 62 -12.422 -2.678 -6.092 1.00 0.00 C ATOM 993 CG GLN A 62 -12.385 -1.881 -7.399 1.00 0.00 C ATOM 994 CD GLN A 62 -12.905 -0.466 -7.146 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.008 -0.039 -6.014 1.00 0.00 O ATOM 996 NE2 GLN A 62 -13.240 0.284 -8.160 1.00 0.00 N ATOM 0 H GLN A 62 -10.541 -3.740 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.402 -4.751 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.369 -2.512 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.633 -2.336 -5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.367 -1.842 -7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.995 -2.374 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.153 -0.075 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.589 1.229 -8.002 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.517 -4.313 -7.231 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.558 -4.694 -8.227 1.00 0.00 C ATOM 1007 C GLU A 63 -16.484 -3.500 -8.472 1.00 0.00 C ATOM 1008 O GLU A 63 -16.201 -2.390 -8.067 1.00 0.00 O ATOM 1009 CB GLU A 63 -16.373 -5.874 -7.690 1.00 0.00 C ATOM 1010 CG GLU A 63 -16.664 -5.661 -6.204 1.00 0.00 C ATOM 1011 CD GLU A 63 -15.689 -6.494 -5.369 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -14.557 -6.067 -5.217 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -16.092 -7.544 -4.896 1.00 0.00 O ATOM 0 H GLU A 63 -14.866 -3.840 -6.398 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.080 -4.983 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.307 -5.966 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.823 -6.804 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.566 -4.605 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.691 -5.949 -5.979 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.587 -3.715 -9.135 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.526 -2.589 -9.405 1.00 0.00 C ATOM 1022 C GLY A 64 -19.515 -2.455 -8.246 1.00 0.00 C ATOM 1023 O GLY A 64 -20.708 -2.348 -8.447 1.00 0.00 O ATOM 0 H GLY A 64 -17.879 -4.621 -9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.969 -1.660 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.064 -2.766 -10.336 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.031 -2.457 -7.035 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.945 -2.329 -5.865 1.00 0.00 C ATOM 1029 C GLN A 65 -19.140 -2.446 -4.569 1.00 0.00 C ATOM 1030 O GLN A 65 -19.226 -1.608 -3.694 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.999 -3.437 -5.914 1.00 0.00 C ATOM 1032 CG GLN A 65 -20.326 -4.773 -6.240 1.00 0.00 C ATOM 1033 CD GLN A 65 -21.166 -5.529 -7.271 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -22.185 -6.101 -6.941 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -20.778 -5.556 -8.517 1.00 0.00 N ATOM 0 H GLN A 65 -18.041 -2.542 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 65 -20.439 -1.358 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.516 -3.503 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.751 -3.204 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -19.322 -4.601 -6.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.220 -5.369 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.922 -5.076 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.331 -6.057 -9.212 1.00 0.00 H new ATOM 1044 N THR A 66 -18.354 -3.481 -4.439 1.00 0.00 N ATOM 1045 CA THR A 66 -17.544 -3.650 -3.201 1.00 0.00 C ATOM 1046 C THR A 66 -16.057 -3.573 -3.553 1.00 0.00 C ATOM 1047 O THR A 66 -15.670 -2.938 -4.513 1.00 0.00 O ATOM 1048 CB THR A 66 -17.849 -5.012 -2.575 1.00 0.00 C ATOM 1049 OG1 THR A 66 -19.045 -5.532 -3.137 1.00 0.00 O ATOM 1050 CG2 THR A 66 -18.020 -4.854 -1.064 1.00 0.00 C ATOM 0 H THR A 66 -18.239 -4.216 -5.137 1.00 0.00 H new ATOM 0 HA THR A 66 -17.792 -2.860 -2.492 1.00 0.00 H new ATOM 0 HB THR A 66 -17.025 -5.697 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.241 -6.405 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.237 -5.825 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.102 -4.455 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.843 -4.169 -0.861 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.221 -4.216 -2.785 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.763 -4.179 -3.084 1.00 0.00 C ATOM 1060 C VAL A 67 -13.096 -5.443 -2.536 1.00 0.00 C ATOM 1061 O VAL A 67 -13.577 -6.061 -1.606 1.00 0.00 O ATOM 1062 CB VAL A 67 -13.134 -2.932 -2.443 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.876 -3.172 -0.952 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.807 -2.620 -3.137 1.00 0.00 C ATOM 0 H VAL A 67 -15.484 -4.764 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.615 -4.136 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.821 -2.094 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.430 -2.280 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.818 -3.392 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.195 -4.015 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.359 -1.736 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.130 -3.467 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.985 -2.434 -4.196 1.00 0.00 H new ATOM 1074 N MET A 68 -11.990 -5.827 -3.104 1.00 0.00 N ATOM 1075 CA MET A 68 -11.283 -7.043 -2.619 1.00 0.00 C ATOM 1076 C MET A 68 -9.837 -6.676 -2.291 1.00 0.00 C ATOM 1077 O MET A 68 -9.010 -6.532 -3.171 1.00 0.00 O ATOM 1078 CB MET A 68 -11.305 -8.118 -3.708 1.00 0.00 C ATOM 1079 CG MET A 68 -12.075 -9.342 -3.203 1.00 0.00 C ATOM 1080 SD MET A 68 -11.687 -10.770 -4.244 1.00 0.00 S ATOM 1081 CE MET A 68 -10.411 -11.487 -3.181 1.00 0.00 C ATOM 0 H MET A 68 -11.543 -5.350 -3.887 1.00 0.00 H new ATOM 0 HA MET A 68 -11.778 -7.428 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.775 -7.727 -4.610 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.287 -8.401 -3.975 1.00 0.00 H new ATOM 0 HG2 MET A 68 -11.808 -9.551 -2.167 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.147 -9.144 -3.223 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.024 -12.397 -3.640 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.599 -10.771 -3.054 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.840 -11.725 -2.208 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.523 -6.522 -1.033 1.00 0.00 N ATOM 1092 CA LEU A 69 -8.128 -6.161 -0.658 1.00 0.00 C ATOM 1093 C LEU A 69 -7.240 -7.396 -0.821 1.00 0.00 C ATOM 1094 O LEU A 69 -6.145 -7.326 -1.342 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.111 -5.674 0.799 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.685 -5.686 1.367 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -6.305 -7.108 1.782 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -5.692 -5.176 0.318 1.00 0.00 C ATOM 0 H LEU A 69 -10.170 -6.630 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.752 -5.364 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.519 -4.665 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.754 -6.311 1.407 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.649 -5.031 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.292 -7.111 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.999 -7.462 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.352 -7.765 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.685 -5.190 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.730 -5.818 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.954 -4.157 0.035 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.713 -8.528 -0.385 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.915 -9.779 -0.512 1.00 0.00 C ATOM 1112 C GLY A 70 -7.581 -10.872 0.321 1.00 0.00 C ATOM 1113 O GLY A 70 -8.269 -11.730 -0.194 1.00 0.00 O ATOM 0 H GLY A 70 -8.625 -8.642 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.855 -10.084 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.894 -9.612 -0.169 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.397 -10.835 1.612 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.033 -11.858 2.484 1.00 0.00 C ATOM 1119 C ASN A 71 -9.235 -11.227 3.187 1.00 0.00 C ATOM 1120 O ASN A 71 -9.774 -11.771 4.129 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.023 -12.343 3.527 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.670 -13.414 4.406 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.190 -14.393 3.908 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -7.659 -13.270 5.703 1.00 0.00 N ATOM 0 H ASN A 71 -6.833 -10.139 2.100 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.359 -12.707 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.140 -12.748 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.689 -11.507 4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.087 -13.979 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.223 -12.448 6.121 1.00 0.00 H new ATOM 1131 N SER A 72 -9.657 -10.074 2.735 1.00 0.00 N ATOM 1132 CA SER A 72 -10.819 -9.400 3.376 1.00 0.00 C ATOM 1133 C SER A 72 -11.592 -8.593 2.328 1.00 0.00 C ATOM 1134 O SER A 72 -11.014 -7.935 1.480 1.00 0.00 O ATOM 1135 CB SER A 72 -10.319 -8.460 4.472 1.00 0.00 C ATOM 1136 OG SER A 72 -11.030 -8.718 5.674 1.00 0.00 O ATOM 0 H SER A 72 -9.245 -9.572 1.949 1.00 0.00 H new ATOM 0 HA SER A 72 -11.478 -10.152 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.250 -8.604 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.459 -7.422 4.169 1.00 0.00 H new ATOM 0 HG SER A 72 -10.710 -8.117 6.379 1.00 0.00 H new ATOM 1142 N GLU A 73 -12.895 -8.633 2.386 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.710 -7.866 1.405 1.00 0.00 C ATOM 1144 C GLU A 73 -14.136 -6.540 2.037 1.00 0.00 C ATOM 1145 O GLU A 73 -14.783 -6.513 3.066 1.00 0.00 O ATOM 1146 CB GLU A 73 -14.954 -8.675 1.029 1.00 0.00 C ATOM 1147 CG GLU A 73 -15.425 -8.269 -0.368 1.00 0.00 C ATOM 1148 CD GLU A 73 -16.947 -8.409 -0.456 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -17.611 -8.052 0.503 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -17.420 -8.873 -1.480 1.00 0.00 O ATOM 0 H GLU A 73 -13.430 -9.165 3.072 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.121 -7.674 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.728 -9.741 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.747 -8.501 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.131 -7.240 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.948 -8.896 -1.121 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.773 -5.441 1.438 1.00 0.00 N ATOM 1158 CA PHE A 74 -14.151 -4.119 2.014 1.00 0.00 C ATOM 1159 C PHE A 74 -14.938 -3.317 0.973 1.00 0.00 C ATOM 1160 O PHE A 74 -15.412 -3.855 -0.007 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.879 -3.361 2.404 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.575 -3.608 3.863 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -13.448 -3.135 4.849 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -11.421 -4.311 4.229 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -13.168 -3.365 6.202 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.140 -4.542 5.581 1.00 0.00 C ATOM 1167 CZ PHE A 74 -12.014 -4.067 6.567 1.00 0.00 C ATOM 0 H PHE A 74 -13.231 -5.400 0.575 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.773 -4.263 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.043 -3.689 1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -13.009 -2.294 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -14.338 -2.592 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.747 -4.675 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.842 -3.001 6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.251 -5.086 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.797 -4.243 7.610 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.084 -2.036 1.177 1.00 0.00 N ATOM 1178 CA ASP A 75 -15.839 -1.209 0.195 1.00 0.00 C ATOM 1179 C ASP A 75 -15.368 0.243 0.280 1.00 0.00 C ATOM 1180 O ASP A 75 -16.131 1.165 0.072 1.00 0.00 O ATOM 1181 CB ASP A 75 -17.335 -1.278 0.512 1.00 0.00 C ATOM 1182 CG ASP A 75 -18.138 -0.920 -0.740 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -17.921 0.157 -1.272 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -18.958 -1.728 -1.145 1.00 0.00 O ATOM 0 H ASP A 75 -14.714 -1.528 1.980 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.662 -1.590 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.600 -2.279 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.578 -0.590 1.322 1.00 0.00 H new ATOM 1189 N SER A 76 -14.117 0.455 0.582 1.00 0.00 N ATOM 1190 CA SER A 76 -13.602 1.850 0.678 1.00 0.00 C ATOM 1191 C SER A 76 -12.078 1.823 0.802 1.00 0.00 C ATOM 1192 O SER A 76 -11.521 1.038 1.541 1.00 0.00 O ATOM 1193 CB SER A 76 -14.202 2.532 1.908 1.00 0.00 C ATOM 1194 OG SER A 76 -14.504 1.548 2.889 1.00 0.00 O ATOM 0 H SER A 76 -13.430 -0.276 0.766 1.00 0.00 H new ATOM 0 HA SER A 76 -13.884 2.404 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.501 3.262 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.105 3.077 1.632 1.00 0.00 H new ATOM 0 HG SER A 76 -15.158 1.909 3.524 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.398 2.678 0.086 1.00 0.00 N ATOM 1201 CA LEU A 77 -9.911 2.699 0.169 1.00 0.00 C ATOM 1202 C LEU A 77 -9.487 3.209 1.546 1.00 0.00 C ATOM 1203 O LEU A 77 -8.381 2.974 1.993 1.00 0.00 O ATOM 1204 CB LEU A 77 -9.351 3.625 -0.912 1.00 0.00 C ATOM 1205 CG LEU A 77 -8.210 2.921 -1.646 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -7.817 3.733 -2.882 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -7.004 2.801 -0.712 1.00 0.00 C ATOM 0 H LEU A 77 -11.808 3.361 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.524 1.691 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.137 3.897 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.992 4.551 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.535 1.927 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.003 3.230 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.676 3.821 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.492 4.727 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.189 2.299 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.681 3.796 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.282 2.222 0.169 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.359 3.903 2.225 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.008 4.427 3.574 1.00 0.00 C ATOM 1221 C VAL A 78 -10.258 3.339 4.621 1.00 0.00 C ATOM 1222 O VAL A 78 -9.420 3.064 5.456 1.00 0.00 O ATOM 1223 CB VAL A 78 -10.870 5.650 3.889 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -10.312 6.365 5.121 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -10.852 6.607 2.696 1.00 0.00 C ATOM 0 H VAL A 78 -11.300 4.130 1.903 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.957 4.714 3.591 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.893 5.331 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.927 7.237 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.323 5.685 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.288 6.684 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.466 7.479 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.828 6.925 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.249 6.100 1.817 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.404 2.714 4.582 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.702 1.643 5.574 1.00 0.00 C ATOM 1237 C ASP A 79 -10.752 0.466 5.343 1.00 0.00 C ATOM 1238 O ASP A 79 -10.483 -0.316 6.237 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.148 1.174 5.400 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.569 0.352 6.620 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.642 0.920 7.696 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -13.809 -0.833 6.455 1.00 0.00 O ATOM 0 H ASP A 79 -12.146 2.899 3.907 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.567 2.030 6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.808 2.033 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.240 0.574 4.495 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.229 0.343 4.152 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.286 -0.771 3.865 1.00 0.00 C ATOM 1249 C LEU A 80 -8.006 -0.522 4.653 1.00 0.00 C ATOM 1250 O LEU A 80 -7.328 -1.434 5.077 1.00 0.00 O ATOM 1251 CB LEU A 80 -8.971 -0.810 2.368 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.172 -2.231 1.839 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.744 -2.298 0.372 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -8.324 -3.206 2.661 1.00 0.00 C ATOM 0 H LEU A 80 -10.416 0.967 3.367 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.729 -1.724 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.618 -0.116 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.944 -0.488 2.193 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.224 -2.502 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.888 -3.311 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.347 -1.605 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.692 -2.026 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.467 -4.219 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.272 -2.933 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.629 -3.161 3.707 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.687 0.722 4.863 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.470 1.060 5.640 1.00 0.00 C ATOM 1268 C ILE A 81 -6.839 1.055 7.130 1.00 0.00 C ATOM 1269 O ILE A 81 -6.001 0.878 7.994 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.966 2.445 5.188 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -4.787 2.260 4.230 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.511 3.286 6.385 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -5.178 1.276 3.125 1.00 0.00 C ATOM 0 H ILE A 81 -8.222 1.523 4.527 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.673 0.336 5.473 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.785 2.965 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.504 3.219 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.918 1.888 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.161 4.257 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.347 3.427 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.701 2.773 6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.339 1.144 2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.440 0.316 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.034 1.667 2.576 1.00 0.00 H new ATOM 1285 N SER A 82 -8.094 1.250 7.429 1.00 0.00 N ATOM 1286 CA SER A 82 -8.536 1.261 8.851 1.00 0.00 C ATOM 1287 C SER A 82 -8.244 -0.096 9.492 1.00 0.00 C ATOM 1288 O SER A 82 -7.530 -0.187 10.472 1.00 0.00 O ATOM 1289 CB SER A 82 -10.038 1.541 8.914 1.00 0.00 C ATOM 1290 OG SER A 82 -10.444 1.620 10.274 1.00 0.00 O ATOM 0 H SER A 82 -8.835 1.403 6.745 1.00 0.00 H new ATOM 0 HA SER A 82 -7.996 2.039 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.268 2.474 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.589 0.751 8.403 1.00 0.00 H new ATOM 0 HG SER A 82 -11.406 1.801 10.318 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.789 -1.154 8.954 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.531 -2.496 9.550 1.00 0.00 C ATOM 1298 C TYR A 83 -7.065 -2.881 9.312 1.00 0.00 C ATOM 1299 O TYR A 83 -6.540 -3.783 9.936 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.487 -3.532 8.925 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.828 -4.246 7.764 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.167 -3.512 6.775 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -8.879 -5.643 7.682 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -7.556 -4.172 5.702 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -8.269 -6.305 6.610 1.00 0.00 C ATOM 1306 CZ TYR A 83 -7.607 -5.569 5.620 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.005 -6.221 4.563 1.00 0.00 O ATOM 0 H TYR A 83 -9.397 -1.148 8.135 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.713 -2.471 10.624 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.787 -4.258 9.681 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.395 -3.035 8.583 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.128 -2.435 6.839 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.389 -6.210 8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.046 -3.604 4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.309 -7.382 6.547 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.133 -7.188 4.659 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.401 -2.198 8.420 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.972 -2.516 8.148 1.00 0.00 C ATOM 1319 C TYR A 84 -4.139 -2.100 9.367 1.00 0.00 C ATOM 1320 O TYR A 84 -3.169 -2.740 9.717 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.525 -1.776 6.866 1.00 0.00 C ATOM 1322 CG TYR A 84 -3.318 -0.889 7.117 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -2.112 -1.449 7.557 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -3.411 0.492 6.906 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -1.001 -0.628 7.785 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -2.299 1.313 7.134 1.00 0.00 C ATOM 1327 CZ TYR A 84 -1.096 0.752 7.573 1.00 0.00 C ATOM 1328 OH TYR A 84 -0.001 1.562 7.798 1.00 0.00 O ATOM 0 H TYR A 84 -6.788 -1.433 7.868 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.831 -3.584 7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.286 -2.504 6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.349 -1.170 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.039 -2.514 7.720 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.341 0.925 6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.071 -1.060 8.124 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.371 2.378 6.971 1.00 0.00 H new ATOM 0 HH TYR A 84 0.680 1.389 7.115 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.516 -1.031 10.015 1.00 0.00 N ATOM 1339 CA GLU A 85 -3.751 -0.578 11.211 1.00 0.00 C ATOM 1340 C GLU A 85 -3.994 -1.549 12.371 1.00 0.00 C ATOM 1341 O GLU A 85 -3.415 -1.419 13.431 1.00 0.00 O ATOM 1342 CB GLU A 85 -4.215 0.823 11.613 1.00 0.00 C ATOM 1343 CG GLU A 85 -5.656 0.758 12.123 1.00 0.00 C ATOM 1344 CD GLU A 85 -5.715 1.286 13.558 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -5.104 0.674 14.419 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -6.370 2.293 13.772 1.00 0.00 O ATOM 0 H GLU A 85 -5.319 -0.453 9.768 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.687 -0.554 10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.562 1.225 12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.150 1.498 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.307 1.350 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.020 -0.269 12.087 1.00 0.00 H new ATOM 1353 N LYS A 86 -4.846 -2.521 12.179 1.00 0.00 N ATOM 1354 CA LYS A 86 -5.123 -3.496 13.272 1.00 0.00 C ATOM 1355 C LYS A 86 -4.612 -4.881 12.867 1.00 0.00 C ATOM 1356 O LYS A 86 -4.428 -5.750 13.696 1.00 0.00 O ATOM 1357 CB LYS A 86 -6.632 -3.565 13.521 1.00 0.00 C ATOM 1358 CG LYS A 86 -6.924 -3.211 14.980 1.00 0.00 C ATOM 1359 CD LYS A 86 -7.295 -1.730 15.083 1.00 0.00 C ATOM 1360 CE LYS A 86 -8.772 -1.598 15.459 1.00 0.00 C ATOM 1361 NZ LYS A 86 -9.264 -0.247 15.065 1.00 0.00 N ATOM 0 H LYS A 86 -5.361 -2.681 11.313 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.616 -3.174 14.181 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.153 -2.875 12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.003 -4.565 13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.739 -3.828 15.359 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.051 -3.422 15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.673 -1.240 15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.105 -1.230 14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.356 -2.370 14.959 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.900 -1.746 16.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.268 -0.155 15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.713 0.482 15.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.155 -0.124 14.038 1.00 0.00 H new ATOM 1375 N HIS A 87 -4.387 -5.100 11.599 1.00 0.00 N ATOM 1376 CA HIS A 87 -3.893 -6.436 11.154 1.00 0.00 C ATOM 1377 C HIS A 87 -2.744 -6.262 10.157 1.00 0.00 C ATOM 1378 O HIS A 87 -2.511 -5.180 9.656 1.00 0.00 O ATOM 1379 CB HIS A 87 -5.035 -7.200 10.483 1.00 0.00 C ATOM 1380 CG HIS A 87 -5.668 -8.132 11.480 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -7.023 -8.423 11.462 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.145 -8.844 12.531 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -7.266 -9.278 12.473 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -6.156 -9.567 13.157 1.00 0.00 N ATOM 0 H HIS A 87 -4.523 -4.415 10.855 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.535 -6.993 12.020 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.778 -6.501 10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.658 -7.764 9.630 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.106 -8.843 12.827 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.241 -9.682 12.703 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.068 -10.184 13.964 1.00 0.00 H new ATOM 1392 N PRO A 88 -2.062 -7.348 9.902 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.907 -7.431 8.971 1.00 0.00 C ATOM 1394 C PRO A 88 -1.403 -7.509 7.525 1.00 0.00 C ATOM 1395 O PRO A 88 -2.570 -7.735 7.271 1.00 0.00 O ATOM 1396 CB PRO A 88 -0.168 -8.712 9.348 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.197 -9.605 10.052 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.335 -8.682 10.507 1.00 0.00 C ATOM 0 HA PRO A 88 -0.260 -6.557 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.235 -9.204 8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.675 -8.497 10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.569 -10.375 9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.749 -10.117 10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.301 -9.066 10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.370 -8.615 11.594 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.527 -7.325 6.576 1.00 0.00 N ATOM 1407 CA LEU A 89 -0.952 -7.390 5.149 1.00 0.00 C ATOM 1408 C LEU A 89 -0.334 -8.623 4.485 1.00 0.00 C ATOM 1409 O LEU A 89 -1.030 -9.495 4.007 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.484 -6.130 4.417 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.689 -5.419 3.799 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.621 -4.931 4.910 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -1.206 -4.221 2.979 1.00 0.00 C ATOM 0 H LEU A 89 0.463 -7.133 6.726 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.039 -7.457 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.028 -5.463 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.233 -6.394 3.640 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.227 -6.112 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.479 -4.424 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.965 -5.783 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.084 -4.238 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.063 -3.713 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.668 -3.529 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.542 -4.566 2.187 1.00 0.00 H new ATOM 1425 N TYR A 90 0.968 -8.700 4.448 1.00 0.00 N ATOM 1426 CA TYR A 90 1.627 -9.875 3.809 1.00 0.00 C ATOM 1427 C TYR A 90 2.037 -10.882 4.890 1.00 0.00 C ATOM 1428 O TYR A 90 1.920 -10.621 6.072 1.00 0.00 O ATOM 1429 CB TYR A 90 2.867 -9.401 3.044 1.00 0.00 C ATOM 1430 CG TYR A 90 3.379 -10.511 2.154 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.481 -11.291 1.416 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.756 -10.758 2.065 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.959 -12.317 0.591 1.00 0.00 C ATOM 1434 CE2 TYR A 90 5.233 -11.784 1.241 1.00 0.00 C ATOM 1435 CZ TYR A 90 4.335 -12.564 0.504 1.00 0.00 C ATOM 1436 OH TYR A 90 4.805 -13.574 -0.310 1.00 0.00 O ATOM 0 H TYR A 90 1.604 -8.001 4.832 1.00 0.00 H new ATOM 0 HA TYR A 90 0.935 -10.355 3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.621 -8.525 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.644 -9.098 3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.420 -11.102 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.450 -10.156 2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.266 -12.918 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.294 -11.974 1.174 1.00 0.00 H new ATOM 0 HH TYR A 90 5.783 -13.610 -0.255 1.00 0.00 H new ATOM 1446 N ARG A 91 2.513 -12.032 4.495 1.00 0.00 N ATOM 1447 CA ARG A 91 2.926 -13.059 5.494 1.00 0.00 C ATOM 1448 C ARG A 91 4.158 -12.572 6.264 1.00 0.00 C ATOM 1449 O ARG A 91 4.584 -13.191 7.220 1.00 0.00 O ATOM 1450 CB ARG A 91 3.270 -14.360 4.765 1.00 0.00 C ATOM 1451 CG ARG A 91 2.690 -15.545 5.536 1.00 0.00 C ATOM 1452 CD ARG A 91 1.490 -16.110 4.775 1.00 0.00 C ATOM 1453 NE ARG A 91 1.942 -16.647 3.461 1.00 0.00 N ATOM 1454 CZ ARG A 91 1.165 -17.445 2.780 1.00 0.00 C ATOM 1455 NH1 ARG A 91 -0.128 -17.396 2.948 1.00 0.00 N ATOM 1456 NH2 ARG A 91 1.681 -18.293 1.934 1.00 0.00 N ATOM 0 H ARG A 91 2.634 -12.305 3.520 1.00 0.00 H new ATOM 0 HA ARG A 91 2.108 -13.229 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.867 -14.339 3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.351 -14.465 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.449 -16.316 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.386 -15.229 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.015 -16.899 5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.742 -15.331 4.624 1.00 0.00 H new ATOM 0 HE ARG A 91 2.858 -16.391 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.531 -16.734 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.735 -18.019 2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.692 -18.333 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.074 -18.916 1.402 1.00 0.00 H new ATOM 1470 N LYS A 92 4.738 -11.475 5.858 1.00 0.00 N ATOM 1471 CA LYS A 92 5.942 -10.966 6.573 1.00 0.00 C ATOM 1472 C LYS A 92 5.989 -9.437 6.497 1.00 0.00 C ATOM 1473 O LYS A 92 7.043 -8.835 6.563 1.00 0.00 O ATOM 1474 CB LYS A 92 7.203 -11.548 5.928 1.00 0.00 C ATOM 1475 CG LYS A 92 7.049 -11.547 4.406 1.00 0.00 C ATOM 1476 CD LYS A 92 7.210 -12.974 3.876 1.00 0.00 C ATOM 1477 CE LYS A 92 8.660 -13.427 4.057 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.785 -14.198 5.325 1.00 0.00 N ATOM 0 H LYS A 92 4.431 -10.911 5.065 1.00 0.00 H new ATOM 0 HA LYS A 92 5.891 -11.270 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.075 -10.961 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.371 -12.564 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.071 -11.153 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.796 -10.894 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.539 -13.648 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.934 -13.015 2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.968 -14.043 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.323 -12.562 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.406 -15.018 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.191 -13.589 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.845 -14.526 5.626 1.00 0.00 H new ATOM 1492 N MET A 93 4.856 -8.802 6.364 1.00 0.00 N ATOM 1493 CA MET A 93 4.841 -7.312 6.289 1.00 0.00 C ATOM 1494 C MET A 93 3.523 -6.789 6.864 1.00 0.00 C ATOM 1495 O MET A 93 2.571 -7.525 7.024 1.00 0.00 O ATOM 1496 CB MET A 93 4.969 -6.869 4.830 1.00 0.00 C ATOM 1497 CG MET A 93 6.397 -7.116 4.343 1.00 0.00 C ATOM 1498 SD MET A 93 7.540 -6.050 5.257 1.00 0.00 S ATOM 1499 CE MET A 93 8.017 -4.988 3.874 1.00 0.00 C ATOM 0 H MET A 93 3.941 -9.249 6.304 1.00 0.00 H new ATOM 0 HA MET A 93 5.677 -6.912 6.863 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.262 -7.419 4.209 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.720 -5.812 4.737 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.666 -8.163 4.487 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.469 -6.912 3.275 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.280 -3.999 4.249 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.876 -5.422 3.362 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.184 -4.902 3.177 1.00 0.00 H new ATOM 1509 N LYS A 94 3.457 -5.523 7.176 1.00 0.00 N ATOM 1510 CA LYS A 94 2.196 -4.964 7.738 1.00 0.00 C ATOM 1511 C LYS A 94 1.951 -3.568 7.162 1.00 0.00 C ATOM 1512 O LYS A 94 1.068 -2.857 7.595 1.00 0.00 O ATOM 1513 CB LYS A 94 2.311 -4.872 9.261 1.00 0.00 C ATOM 1514 CG LYS A 94 2.589 -6.260 9.837 1.00 0.00 C ATOM 1515 CD LYS A 94 2.598 -6.187 11.365 1.00 0.00 C ATOM 1516 CE LYS A 94 1.175 -5.957 11.875 1.00 0.00 C ATOM 1517 NZ LYS A 94 1.131 -6.186 13.348 1.00 0.00 N ATOM 0 H LYS A 94 4.219 -4.854 7.066 1.00 0.00 H new ATOM 0 HA LYS A 94 1.364 -5.617 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.113 -4.186 9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.390 -4.470 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.828 -6.964 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.548 -6.630 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.000 -7.111 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.249 -5.378 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.855 -4.941 11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.483 -6.632 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.163 -6.030 13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.420 -7.163 13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.779 -5.525 13.822 1.00 0.00 H new ATOM 1531 N LEU A 95 2.726 -3.171 6.188 1.00 0.00 N ATOM 1532 CA LEU A 95 2.537 -1.820 5.587 1.00 0.00 C ATOM 1533 C LEU A 95 2.457 -0.775 6.701 1.00 0.00 C ATOM 1534 O LEU A 95 1.739 0.200 6.600 1.00 0.00 O ATOM 1535 CB LEU A 95 1.242 -1.800 4.774 1.00 0.00 C ATOM 1536 CG LEU A 95 1.571 -1.593 3.294 1.00 0.00 C ATOM 1537 CD1 LEU A 95 1.471 -2.929 2.555 1.00 0.00 C ATOM 1538 CD2 LEU A 95 0.577 -0.600 2.687 1.00 0.00 C ATOM 0 H LEU A 95 3.481 -3.724 5.783 1.00 0.00 H new ATOM 0 HA LEU A 95 3.379 -1.591 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.701 -2.736 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.590 -1.001 5.128 1.00 0.00 H new ATOM 0 HG LEU A 95 2.584 -1.201 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.706 -2.780 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.177 -3.638 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.459 -3.322 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.810 -0.451 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.435 -0.993 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.648 0.353 3.212 1.00 0.00 H new ATOM 1550 N ARG A 96 3.186 -0.975 7.763 1.00 0.00 N ATOM 1551 CA ARG A 96 3.151 0.002 8.886 1.00 0.00 C ATOM 1552 C ARG A 96 4.493 0.733 8.971 1.00 0.00 C ATOM 1553 O ARG A 96 4.712 1.547 9.845 1.00 0.00 O ATOM 1554 CB ARG A 96 2.889 -0.742 10.197 1.00 0.00 C ATOM 1555 CG ARG A 96 2.469 0.255 11.280 1.00 0.00 C ATOM 1556 CD ARG A 96 0.952 0.450 11.238 1.00 0.00 C ATOM 1557 NE ARG A 96 0.636 1.908 11.205 1.00 0.00 N ATOM 1558 CZ ARG A 96 1.365 2.753 11.883 1.00 0.00 C ATOM 1559 NH1 ARG A 96 1.475 2.629 13.177 1.00 0.00 N ATOM 1560 NH2 ARG A 96 1.984 3.723 11.266 1.00 0.00 N ATOM 0 H ARG A 96 3.805 -1.774 7.902 1.00 0.00 H new ATOM 0 HA ARG A 96 2.356 0.727 8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.108 -1.488 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.786 -1.276 10.509 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.772 -0.110 12.261 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.973 1.209 11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.536 -0.043 10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.491 -0.013 12.111 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.151 2.245 10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.991 1.872 13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.045 3.289 13.706 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.898 3.821 10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.553 4.383 11.796 1.00 0.00 H new ATOM 1574 N TYR A 97 5.396 0.455 8.069 1.00 0.00 N ATOM 1575 CA TYR A 97 6.714 1.142 8.108 1.00 0.00 C ATOM 1576 C TYR A 97 6.493 2.659 8.051 1.00 0.00 C ATOM 1577 O TYR A 97 5.959 3.167 7.084 1.00 0.00 O ATOM 1578 CB TYR A 97 7.555 0.700 6.909 1.00 0.00 C ATOM 1579 CG TYR A 97 8.699 -0.163 7.384 1.00 0.00 C ATOM 1580 CD1 TYR A 97 9.581 0.318 8.359 1.00 0.00 C ATOM 1581 CD2 TYR A 97 8.879 -1.443 6.847 1.00 0.00 C ATOM 1582 CE1 TYR A 97 10.642 -0.483 8.799 1.00 0.00 C ATOM 1583 CE2 TYR A 97 9.940 -2.244 7.287 1.00 0.00 C ATOM 1584 CZ TYR A 97 10.822 -1.764 8.262 1.00 0.00 C ATOM 1585 OH TYR A 97 11.869 -2.552 8.695 1.00 0.00 O ATOM 0 H TYR A 97 5.276 -0.216 7.310 1.00 0.00 H new ATOM 0 HA TYR A 97 7.237 0.883 9.029 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.937 0.146 6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.939 1.572 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.443 1.306 8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.200 -1.813 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.322 -0.113 9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.078 -3.232 6.874 1.00 0.00 H new ATOM 0 HH TYR A 97 11.850 -3.410 8.223 1.00 0.00 H new ATOM 1595 N PRO A 98 6.902 3.336 9.095 1.00 0.00 N ATOM 1596 CA PRO A 98 6.779 4.810 9.246 1.00 0.00 C ATOM 1597 C PRO A 98 7.889 5.517 8.462 1.00 0.00 C ATOM 1598 O PRO A 98 8.515 4.939 7.595 1.00 0.00 O ATOM 1599 CB PRO A 98 6.930 5.084 10.739 1.00 0.00 C ATOM 1600 CG PRO A 98 7.695 3.890 11.317 1.00 0.00 C ATOM 1601 CD PRO A 98 7.554 2.749 10.301 1.00 0.00 C ATOM 0 HA PRO A 98 5.827 5.178 8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.472 6.014 10.911 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.956 5.190 11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.744 4.141 11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.287 3.600 12.285 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.528 2.330 10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.953 1.937 10.710 1.00 0.00 H new ATOM 1774 N ILE B 5 3.577 -8.929 -4.113 1.00 0.00 N ATOM 1775 CA ILE B 5 3.117 -9.999 -3.174 1.00 0.00 C ATOM 1776 C ILE B 5 1.692 -9.687 -2.698 1.00 0.00 C ATOM 1777 O ILE B 5 1.421 -8.632 -2.163 1.00 0.00 O ATOM 1778 CB ILE B 5 4.094 -10.113 -1.975 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.568 -9.364 -0.739 1.00 0.00 C ATOM 1780 CG2 ILE B 5 5.457 -9.531 -2.357 1.00 0.00 C ATOM 1781 CD1 ILE B 5 3.651 -7.858 -0.972 1.00 0.00 C ATOM 0 HA ILE B 5 3.107 -10.958 -3.691 1.00 0.00 H new ATOM 0 HB ILE B 5 4.186 -11.171 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.536 -9.654 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE B 5 4.152 -9.638 0.139 1.00 0.00 H new ATOM 0 HG21 ILE B 5 6.138 -9.614 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.863 -10.082 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE B 5 5.342 -8.482 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE B 5 3.277 -7.333 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE B 5 4.688 -7.574 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE B 5 3.047 -7.590 -1.839 1.00 0.00 H new ATOM 1793 N ILE B 6 0.778 -10.601 -2.882 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.618 -10.351 -2.426 1.00 0.00 C ATOM 1795 C ILE B 6 -0.607 -10.182 -0.908 1.00 0.00 C ATOM 1796 O ILE B 6 0.097 -10.888 -0.219 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.503 -11.538 -2.804 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.435 -11.766 -4.317 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.950 -11.247 -2.398 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.898 -10.504 -5.046 1.00 0.00 C ATOM 0 H ILE B 6 0.937 -11.505 -3.326 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.012 -9.452 -2.901 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.152 -12.430 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.416 -12.016 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -2.064 -12.611 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.581 -12.094 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -3.000 -11.086 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.301 -10.354 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.849 -10.667 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -2.924 -10.274 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.251 -9.670 -4.776 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.378 -9.244 -0.434 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.500 -8.909 1.008 1.00 0.00 C ATOM 1814 C PRO B 7 -2.355 -9.949 1.736 1.00 0.00 C ATOM 1815 O PRO B 7 -3.539 -9.766 1.940 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.158 -7.536 1.059 1.00 0.00 C ATOM 1817 CG PRO B 7 -2.905 -7.373 -0.269 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.263 -8.365 -1.250 1.00 0.00 C ATOM 0 HA PRO B 7 -0.528 -8.905 1.502 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -2.844 -7.464 1.903 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.412 -6.751 1.186 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.968 -7.581 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -2.821 -6.351 -0.639 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.024 -8.950 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -1.691 -7.840 -2.016 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.754 -11.032 2.144 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.512 -12.083 2.877 1.00 0.00 C ATOM 1828 C LEU B 8 -1.827 -12.333 4.226 1.00 0.00 C ATOM 1829 O LEU B 8 -0.672 -12.707 4.268 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.515 -13.376 2.058 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.883 -13.561 1.397 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.273 -12.279 0.659 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -3.814 -14.720 0.401 1.00 0.00 C ATOM 0 H LEU B 8 -0.765 -11.235 2.000 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.540 -11.758 3.036 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.735 -13.339 1.298 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -2.293 -14.227 2.702 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.628 -13.780 2.162 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.247 -12.412 0.189 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -4.322 -11.452 1.367 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.528 -12.058 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -4.788 -14.853 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -3.068 -14.500 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.537 -15.634 0.926 1.00 0.00 H new ATOM 1845 N PRO B 9 -2.555 -12.111 5.291 1.00 0.00 N ATOM 1846 CA PRO B 9 -2.074 -12.283 6.686 1.00 0.00 C ATOM 1847 C PRO B 9 -2.067 -13.762 7.070 1.00 0.00 C ATOM 1848 O PRO B 9 -3.021 -14.278 7.615 1.00 0.00 O ATOM 1849 CB PRO B 9 -3.059 -11.508 7.560 1.00 0.00 C ATOM 1850 CG PRO B 9 -4.355 -11.409 6.752 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.975 -11.657 5.286 1.00 0.00 C ATOM 0 HA PRO B 9 -1.054 -11.918 6.808 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.228 -12.021 8.507 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.672 -10.517 7.799 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.082 -12.145 7.094 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.814 -10.428 6.873 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.622 -12.411 4.839 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -4.090 -10.748 4.696 1.00 0.00 H new ATOM 1859 N ASP B 10 -0.991 -14.446 6.791 1.00 0.00 N ATOM 1860 CA ASP B 10 -0.915 -15.890 7.140 1.00 0.00 C ATOM 1861 C ASP B 10 -2.097 -16.631 6.509 1.00 0.00 C ATOM 1862 O ASP B 10 -2.900 -16.039 5.814 1.00 0.00 O ATOM 1863 CB ASP B 10 -0.967 -16.045 8.661 1.00 0.00 C ATOM 1864 CG ASP B 10 0.305 -16.743 9.146 1.00 0.00 C ATOM 1865 OD1 ASP B 10 1.273 -16.751 8.402 1.00 0.00 O ATOM 1866 OD2 ASP B 10 0.292 -17.257 10.252 1.00 0.00 O ATOM 0 H ASP B 10 -0.161 -14.065 6.336 1.00 0.00 H new ATOM 0 HA ASP B 10 0.017 -16.309 6.762 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.061 -15.067 9.134 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.845 -16.624 8.949 1.00 0.00 H new