USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 25 TYR OH : rot 32:sc= -0.222 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -4.55! C(o=-4.8!,f=-5.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00641 USER MOD Single : A 18 CYS SG : rot -133:sc= 0.0747 USER MOD Single : A 19 GLN : amide:sc= -1.78! C(o=-1.8!,f=-6.9!) USER MOD Single : A 20 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.17) USER MOD Single : A 21 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.051) USER MOD Single : A 22 THR OG1 : rot -75:sc= 1.1 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 29 ASN : amide:sc= -1.39! C(o=-1.4!,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00529 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -70:sc= 0.576 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0903 USER MOD Single : A 44 CYS SG : rot 140:sc= -0.473 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.24 F(o=-1.8!,f=-1.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-2.4,f=0) USER MOD Single : A 68 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.4) USER MOD Single : A 69 ASN : amide:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 70 GLN : amide:sc= -2.72 X(o=-2.7,f=-2.8) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00766 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 172:sc= -1.3 (180deg=-1.49) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -164:sc= -0.26 (180deg=-0.882) USER MOD Single : A 104 MET CE :methyl 149:sc= -0.0572 (180deg=-0.407) USER MOD Single : A 105 TYR OH : rot 30:sc= -0.16 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= -0.0146 (180deg=-0.0146) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.429 -8.027 2.631 1.00 0.00 N ATOM 136 CA SER A 12 -7.478 -8.174 4.081 1.00 0.00 C ATOM 137 C SER A 12 -6.629 -7.106 4.765 1.00 0.00 C ATOM 138 O SER A 12 -7.147 -6.252 5.485 1.00 0.00 O ATOM 139 CB SER A 12 -6.993 -9.566 4.490 1.00 0.00 C ATOM 140 OG SER A 12 -7.632 -10.001 5.678 1.00 0.00 O ATOM 0 HA SER A 12 -8.513 -8.049 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.192 -10.275 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.913 -9.549 4.640 1.00 0.00 H new ATOM 0 HG SER A 12 -7.306 -10.894 5.917 1.00 0.00 H new ATOM 146 N LYS A 13 -5.322 -7.161 4.534 1.00 0.00 N ATOM 147 CA LYS A 13 -4.399 -6.199 5.125 1.00 0.00 C ATOM 148 C LYS A 13 -4.782 -4.773 4.744 1.00 0.00 C ATOM 149 O LYS A 13 -4.851 -3.888 5.598 1.00 0.00 O ATOM 150 CB LYS A 13 -2.967 -6.492 4.673 1.00 0.00 C ATOM 151 CG LYS A 13 -1.943 -5.516 5.226 1.00 0.00 C ATOM 152 CD LYS A 13 -1.707 -5.736 6.711 1.00 0.00 C ATOM 153 CE LYS A 13 -0.682 -4.757 7.264 1.00 0.00 C ATOM 154 NZ LYS A 13 0.713 -5.212 7.010 1.00 0.00 N ATOM 0 H LYS A 13 -4.878 -7.862 3.941 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.458 -6.295 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.697 -7.502 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.927 -6.470 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.003 -5.630 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.285 -4.495 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.647 -5.623 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.364 -6.757 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.833 -3.778 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.835 -4.638 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.381 -4.518 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.865 -6.135 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.868 -5.301 5.985 1.00 0.00 H new ATOM 168 N LEU A 14 -5.032 -4.556 3.457 1.00 0.00 N ATOM 169 CA LEU A 14 -5.410 -3.237 2.963 1.00 0.00 C ATOM 170 C LEU A 14 -6.504 -2.623 3.831 1.00 0.00 C ATOM 171 O LEU A 14 -6.340 -1.530 4.374 1.00 0.00 O ATOM 172 CB LEU A 14 -5.886 -3.331 1.512 1.00 0.00 C ATOM 173 CG LEU A 14 -6.629 -2.110 0.969 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.709 -0.900 0.929 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.192 -2.400 -0.415 1.00 0.00 C ATOM 0 H LEU A 14 -4.980 -5.277 2.737 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.532 -2.593 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.019 -3.516 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.539 -4.199 1.420 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.460 -1.887 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.255 -0.041 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.354 -0.679 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.857 -1.112 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.717 -1.520 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.377 -2.649 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.885 -3.239 -0.357 1.00 0.00 H new ATOM 187 N LEU A 15 -7.619 -3.334 3.959 1.00 0.00 N ATOM 188 CA LEU A 15 -8.740 -2.860 4.763 1.00 0.00 C ATOM 189 C LEU A 15 -8.266 -2.390 6.134 1.00 0.00 C ATOM 190 O LEU A 15 -8.378 -1.211 6.472 1.00 0.00 O ATOM 191 CB LEU A 15 -9.782 -3.968 4.923 1.00 0.00 C ATOM 192 CG LEU A 15 -10.971 -3.646 5.829 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.915 -2.671 5.143 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.706 -4.920 6.217 1.00 0.00 C ATOM 0 H LEU A 15 -7.771 -4.240 3.517 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.194 -2.014 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.163 -4.226 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.283 -4.855 5.314 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.595 -3.177 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.755 -2.453 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.382 -1.747 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.285 -3.113 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.549 -4.672 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.071 -5.418 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.026 -5.585 6.749 1.00 0.00 H new ATOM 206 N THR A 16 -7.733 -3.320 6.922 1.00 0.00 N ATOM 207 CA THR A 16 -7.241 -3.001 8.256 1.00 0.00 C ATOM 208 C THR A 16 -6.532 -1.652 8.273 1.00 0.00 C ATOM 209 O THR A 16 -6.915 -0.748 9.016 1.00 0.00 O ATOM 210 CB THR A 16 -6.274 -4.083 8.771 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.857 -5.380 8.607 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.937 -3.855 10.237 1.00 0.00 C ATOM 0 H THR A 16 -7.631 -4.300 6.658 1.00 0.00 H new ATOM 0 HA THR A 16 -8.111 -2.959 8.912 1.00 0.00 H new ATOM 0 HB THR A 16 -5.354 -4.022 8.189 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.235 -6.062 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.253 -4.632 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.466 -2.879 10.355 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.851 -3.891 10.830 1.00 0.00 H new ATOM 220 N TRP A 17 -5.498 -1.522 7.449 1.00 0.00 N ATOM 221 CA TRP A 17 -4.736 -0.281 7.369 1.00 0.00 C ATOM 222 C TRP A 17 -5.665 0.925 7.296 1.00 0.00 C ATOM 223 O TRP A 17 -5.586 1.833 8.125 1.00 0.00 O ATOM 224 CB TRP A 17 -3.812 -0.304 6.151 1.00 0.00 C ATOM 225 CG TRP A 17 -2.936 0.908 6.047 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.794 1.156 6.754 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.131 2.036 5.188 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.268 2.371 6.386 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.069 2.930 5.426 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.098 2.377 4.239 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.950 4.141 4.750 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.979 3.580 3.569 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.912 4.450 3.826 1.00 0.00 C ATOM 0 H TRP A 17 -5.168 -2.260 6.827 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.132 -0.196 8.272 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.185 -1.194 6.197 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.416 -0.386 5.247 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.367 0.495 7.493 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.419 2.789 6.766 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.924 1.712 4.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.128 4.813 4.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.722 3.854 2.834 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.847 5.382 3.285 1.00 0.00 H new ATOM 244 N CYS A 18 -6.545 0.928 6.301 1.00 0.00 N ATOM 245 CA CYS A 18 -7.490 2.025 6.119 1.00 0.00 C ATOM 246 C CYS A 18 -8.327 2.235 7.377 1.00 0.00 C ATOM 247 O CYS A 18 -8.459 3.356 7.866 1.00 0.00 O ATOM 248 CB CYS A 18 -8.403 1.746 4.925 1.00 0.00 C ATOM 249 SG CYS A 18 -7.535 1.631 3.343 1.00 0.00 S ATOM 0 H CYS A 18 -6.624 0.184 5.608 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.921 2.935 5.927 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.939 0.814 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.151 2.537 4.860 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.159 2.344 2.453 1.00 0.00 H new ATOM 255 N GLN A 19 -8.892 1.148 7.894 1.00 0.00 N ATOM 256 CA GLN A 19 -9.718 1.214 9.093 1.00 0.00 C ATOM 257 C GLN A 19 -9.003 1.973 10.206 1.00 0.00 C ATOM 258 O GLN A 19 -9.551 2.914 10.779 1.00 0.00 O ATOM 259 CB GLN A 19 -10.077 -0.194 9.569 1.00 0.00 C ATOM 260 CG GLN A 19 -10.893 -0.988 8.561 1.00 0.00 C ATOM 261 CD GLN A 19 -11.155 -2.411 9.013 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.233 -3.134 9.391 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.417 -2.821 8.977 1.00 0.00 N ATOM 0 H GLN A 19 -8.792 0.212 7.501 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.634 1.750 8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.159 -0.739 9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.637 -0.121 10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.844 -0.484 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.367 -1.005 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.150 -2.188 8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.654 -3.769 9.270 1.00 0.00 H new ATOM 272 N GLN A 20 -7.777 1.557 10.506 1.00 0.00 N ATOM 273 CA GLN A 20 -6.988 2.197 11.552 1.00 0.00 C ATOM 274 C GLN A 20 -6.833 3.690 11.280 1.00 0.00 C ATOM 275 O GLN A 20 -7.219 4.522 12.100 1.00 0.00 O ATOM 276 CB GLN A 20 -5.610 1.540 11.655 1.00 0.00 C ATOM 277 CG GLN A 20 -5.662 0.080 12.076 1.00 0.00 C ATOM 278 CD GLN A 20 -4.432 -0.348 12.851 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.049 0.291 13.832 1.00 0.00 O ATOM 280 NE2 GLN A 20 -3.805 -1.434 12.415 1.00 0.00 N ATOM 0 H GLN A 20 -7.309 0.780 10.040 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.515 2.071 12.498 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.109 1.614 10.690 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.005 2.095 12.372 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.548 -0.086 12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.764 -0.546 11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.157 -1.933 11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.971 -1.770 12.897 1.00 0.00 H new ATOM 289 N GLN A 21 -6.266 4.020 10.124 1.00 0.00 N ATOM 290 CA GLN A 21 -6.060 5.413 9.746 1.00 0.00 C ATOM 291 C GLN A 21 -7.361 6.202 9.843 1.00 0.00 C ATOM 292 O GLN A 21 -7.363 7.374 10.221 1.00 0.00 O ATOM 293 CB GLN A 21 -5.502 5.500 8.324 1.00 0.00 C ATOM 294 CG GLN A 21 -4.213 4.719 8.127 1.00 0.00 C ATOM 295 CD GLN A 21 -3.099 5.193 9.039 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.720 6.365 9.018 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.567 4.283 9.847 1.00 0.00 N ATOM 0 H GLN A 21 -5.942 3.343 9.434 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.340 5.848 10.439 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.252 5.129 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.324 6.546 8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.402 3.661 8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.892 4.811 7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.912 3.323 9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.814 4.544 10.483 1.00 0.00 H new ATOM 306 N THR A 22 -8.469 5.552 9.500 1.00 0.00 N ATOM 307 CA THR A 22 -9.777 6.193 9.547 1.00 0.00 C ATOM 308 C THR A 22 -10.632 5.615 10.670 1.00 0.00 C ATOM 309 O THR A 22 -11.831 5.399 10.499 1.00 0.00 O ATOM 310 CB THR A 22 -10.529 6.035 8.212 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.611 4.650 7.856 1.00 0.00 O ATOM 312 CG2 THR A 22 -9.830 6.808 7.103 1.00 0.00 C ATOM 0 H THR A 22 -8.486 4.582 9.187 1.00 0.00 H new ATOM 0 HA THR A 22 -9.603 7.253 9.734 1.00 0.00 H new ATOM 0 HB THR A 22 -11.534 6.437 8.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.737 4.342 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.379 6.682 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.795 7.866 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.815 6.431 6.981 1.00 0.00 H new ATOM 320 N GLU A 23 -10.007 5.369 11.816 1.00 0.00 N ATOM 321 CA GLU A 23 -10.712 4.816 12.967 1.00 0.00 C ATOM 322 C GLU A 23 -11.011 5.903 13.995 1.00 0.00 C ATOM 323 O GLU A 23 -11.895 5.749 14.837 1.00 0.00 O ATOM 324 CB GLU A 23 -9.886 3.701 13.612 1.00 0.00 C ATOM 325 CG GLU A 23 -10.231 3.455 15.071 1.00 0.00 C ATOM 326 CD GLU A 23 -10.000 2.016 15.490 1.00 0.00 C ATOM 327 OE1 GLU A 23 -8.848 1.673 15.826 1.00 0.00 O ATOM 328 OE2 GLU A 23 -10.973 1.233 15.482 1.00 0.00 O ATOM 0 H GLU A 23 -9.014 5.544 11.973 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.657 4.401 12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.036 2.778 13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.828 3.953 13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.630 4.113 15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.275 3.716 15.243 1.00 0.00 H new ATOM 335 N GLY A 24 -10.266 7.002 13.920 1.00 0.00 N ATOM 336 CA GLY A 24 -10.466 8.098 14.850 1.00 0.00 C ATOM 337 C GLY A 24 -11.558 9.048 14.401 1.00 0.00 C ATOM 338 O GLY A 24 -12.213 9.686 15.225 1.00 0.00 O ATOM 0 H GLY A 24 -9.528 7.153 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.719 7.696 15.831 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.533 8.650 14.963 1.00 0.00 H new ATOM 342 N TYR A 25 -11.754 9.144 13.091 1.00 0.00 N ATOM 343 CA TYR A 25 -12.771 10.027 12.533 1.00 0.00 C ATOM 344 C TYR A 25 -14.134 9.753 13.162 1.00 0.00 C ATOM 345 O TYR A 25 -14.341 8.716 13.792 1.00 0.00 O ATOM 346 CB TYR A 25 -12.853 9.851 11.015 1.00 0.00 C ATOM 347 CG TYR A 25 -11.930 10.771 10.249 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.601 10.430 10.030 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.387 11.982 9.743 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.754 11.268 9.331 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.548 12.826 9.041 1.00 0.00 C ATOM 352 CZ TYR A 25 -10.232 12.465 8.838 1.00 0.00 C ATOM 353 OH TYR A 25 -9.392 13.302 8.140 1.00 0.00 O ATOM 0 H TYR A 25 -11.222 8.621 12.395 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.486 11.055 12.758 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.613 8.818 10.764 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.879 10.028 10.692 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.224 9.493 10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.416 12.268 9.901 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.723 10.988 9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.920 13.763 8.653 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.730 12.769 7.652 1.00 0.00 H new ATOM 363 N GLN A 26 -15.060 10.690 12.984 1.00 0.00 N ATOM 364 CA GLN A 26 -16.403 10.551 13.534 1.00 0.00 C ATOM 365 C GLN A 26 -17.379 10.065 12.468 1.00 0.00 C ATOM 366 O GLN A 26 -17.331 10.506 11.319 1.00 0.00 O ATOM 367 CB GLN A 26 -16.882 11.884 14.111 1.00 0.00 C ATOM 368 CG GLN A 26 -16.142 12.301 15.372 1.00 0.00 C ATOM 369 CD GLN A 26 -16.427 13.737 15.767 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.552 14.082 16.130 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.406 14.583 15.698 1.00 0.00 N ATOM 0 H GLN A 26 -14.905 11.553 12.463 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.366 9.810 14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.763 12.661 13.356 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -17.947 11.814 14.331 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.426 11.640 16.191 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.070 12.176 15.218 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.491 14.254 15.392 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.537 15.562 15.951 1.00 0.00 H new ATOM 380 N HIS A 27 -18.265 9.153 12.856 1.00 0.00 N ATOM 381 CA HIS A 27 -19.254 8.607 11.933 1.00 0.00 C ATOM 382 C HIS A 27 -18.574 7.921 10.751 1.00 0.00 C ATOM 383 O HIS A 27 -19.083 7.943 9.631 1.00 0.00 O ATOM 384 CB HIS A 27 -20.181 9.714 11.430 1.00 0.00 C ATOM 385 CG HIS A 27 -21.254 10.086 12.406 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.596 9.881 12.164 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.177 10.653 13.633 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.298 10.306 13.199 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.461 10.778 14.104 1.00 0.00 N ATOM 0 H HIS A 27 -18.318 8.777 13.803 1.00 0.00 H new ATOM 0 HA HIS A 27 -19.845 7.866 12.471 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.586 10.599 11.202 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.645 9.392 10.498 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.274 10.951 14.146 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.374 10.273 13.289 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.725 11.172 15.007 1.00 0.00 H new ATOM 398 N VAL A 28 -17.421 7.312 11.010 1.00 0.00 N ATOM 399 CA VAL A 28 -16.672 6.620 9.969 1.00 0.00 C ATOM 400 C VAL A 28 -16.469 5.151 10.322 1.00 0.00 C ATOM 401 O VAL A 28 -15.551 4.802 11.063 1.00 0.00 O ATOM 402 CB VAL A 28 -15.297 7.275 9.736 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.499 6.491 8.706 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.465 8.724 9.303 1.00 0.00 C ATOM 0 H VAL A 28 -16.986 7.284 11.932 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.261 6.693 9.055 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.743 7.262 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.531 6.969 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.349 5.472 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.044 6.470 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.484 9.172 9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.038 8.763 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.994 9.277 10.079 1.00 0.00 H new ATOM 414 N ASN A 29 -17.332 4.294 9.786 1.00 0.00 N ATOM 415 CA ASN A 29 -17.248 2.861 10.045 1.00 0.00 C ATOM 416 C ASN A 29 -16.778 2.111 8.803 1.00 0.00 C ATOM 417 O ASN A 29 -17.588 1.646 8.001 1.00 0.00 O ATOM 418 CB ASN A 29 -18.607 2.323 10.496 1.00 0.00 C ATOM 419 CG ASN A 29 -19.663 2.438 9.414 1.00 0.00 C ATOM 420 OD1 ASN A 29 -20.142 3.531 9.113 1.00 0.00 O ATOM 421 ND2 ASN A 29 -20.030 1.307 8.823 1.00 0.00 N ATOM 0 H ASN A 29 -18.098 4.567 9.170 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.520 2.702 10.841 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.502 1.278 10.788 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.936 2.869 11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.736 1.322 8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.606 0.423 9.105 1.00 0.00 H new ATOM 428 N VAL A 30 -15.462 1.996 8.650 1.00 0.00 N ATOM 429 CA VAL A 30 -14.883 1.300 7.507 1.00 0.00 C ATOM 430 C VAL A 30 -14.832 -0.204 7.747 1.00 0.00 C ATOM 431 O VAL A 30 -14.086 -0.684 8.601 1.00 0.00 O ATOM 432 CB VAL A 30 -13.462 1.809 7.202 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.834 0.998 6.078 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.489 3.289 6.851 1.00 0.00 C ATOM 0 H VAL A 30 -14.777 2.376 9.303 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.526 1.506 6.652 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.851 1.682 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.830 1.372 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.778 -0.050 6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.443 1.090 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.476 3.631 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.116 3.443 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.894 3.855 7.690 1.00 0.00 H new ATOM 444 N THR A 31 -15.632 -0.947 6.988 1.00 0.00 N ATOM 445 CA THR A 31 -15.679 -2.398 7.118 1.00 0.00 C ATOM 446 C THR A 31 -15.341 -3.079 5.797 1.00 0.00 C ATOM 447 O THR A 31 -14.758 -4.163 5.778 1.00 0.00 O ATOM 448 CB THR A 31 -17.066 -2.875 7.589 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.062 -2.514 6.624 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.418 -2.268 8.939 1.00 0.00 C ATOM 0 H THR A 31 -16.256 -0.567 6.277 1.00 0.00 H new ATOM 0 HA THR A 31 -14.935 -2.673 7.866 1.00 0.00 H new ATOM 0 HB THR A 31 -17.037 -3.960 7.693 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.941 -2.822 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.402 -2.619 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.675 -2.568 9.678 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.430 -1.181 8.857 1.00 0.00 H new ATOM 458 N ASP A 32 -15.711 -2.438 4.694 1.00 0.00 N ATOM 459 CA ASP A 32 -15.445 -2.982 3.367 1.00 0.00 C ATOM 460 C ASP A 32 -14.776 -1.940 2.477 1.00 0.00 C ATOM 461 O ASP A 32 -14.528 -0.811 2.902 1.00 0.00 O ATOM 462 CB ASP A 32 -16.744 -3.465 2.721 1.00 0.00 C ATOM 463 CG ASP A 32 -17.112 -4.874 3.143 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.744 -5.027 4.209 1.00 0.00 O ATOM 465 OD2 ASP A 32 -16.768 -5.823 2.408 1.00 0.00 O ATOM 0 H ASP A 32 -16.196 -1.541 4.692 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.767 -3.828 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.554 -2.786 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.642 -3.429 1.636 1.00 0.00 H new ATOM 470 N LEU A 33 -14.485 -2.326 1.239 1.00 0.00 N ATOM 471 CA LEU A 33 -13.843 -1.425 0.288 1.00 0.00 C ATOM 472 C LEU A 33 -14.750 -1.162 -0.910 1.00 0.00 C ATOM 473 O LEU A 33 -14.278 -0.983 -2.033 1.00 0.00 O ATOM 474 CB LEU A 33 -12.513 -2.015 -0.185 1.00 0.00 C ATOM 475 CG LEU A 33 -11.593 -2.559 0.909 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.659 -3.618 0.343 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.797 -1.429 1.547 1.00 0.00 C ATOM 0 H LEU A 33 -14.683 -3.256 0.871 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.654 -0.478 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.725 -2.821 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.973 -1.246 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.210 -3.022 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.012 -3.994 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.246 -4.440 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.049 -3.180 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.148 -1.834 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.190 -0.937 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.482 -0.705 1.989 1.00 0.00 H new ATOM 489 N THR A 34 -16.056 -1.138 -0.662 1.00 0.00 N ATOM 490 CA THR A 34 -17.030 -0.895 -1.719 1.00 0.00 C ATOM 491 C THR A 34 -18.060 0.143 -1.290 1.00 0.00 C ATOM 492 O THR A 34 -18.187 1.201 -1.907 1.00 0.00 O ATOM 493 CB THR A 34 -17.759 -2.191 -2.120 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.202 -2.886 -0.949 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.848 -3.095 -2.937 1.00 0.00 C ATOM 0 H THR A 34 -16.463 -1.284 0.262 1.00 0.00 H new ATOM 0 HA THR A 34 -16.476 -0.518 -2.579 1.00 0.00 H new ATOM 0 HB THR A 34 -18.621 -1.922 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.666 -3.708 -1.212 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.385 -4.004 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.536 -2.574 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.969 -3.356 -2.347 1.00 0.00 H new ATOM 503 N THR A 35 -18.797 -0.166 -0.227 1.00 0.00 N ATOM 504 CA THR A 35 -19.817 0.740 0.285 1.00 0.00 C ATOM 505 C THR A 35 -19.217 1.755 1.252 1.00 0.00 C ATOM 506 O THR A 35 -19.621 2.917 1.277 1.00 0.00 O ATOM 507 CB THR A 35 -20.943 -0.030 1.001 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.422 -0.699 2.155 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.584 -1.044 0.067 1.00 0.00 C ATOM 0 H THR A 35 -18.706 -1.037 0.296 1.00 0.00 H new ATOM 0 HA THR A 35 -20.234 1.264 -0.575 1.00 0.00 H new ATOM 0 HB THR A 35 -21.704 0.687 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.144 -1.185 2.605 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.376 -1.575 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.006 -0.528 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.831 -1.757 -0.269 1.00 0.00 H new ATOM 517 N SER A 36 -18.249 1.308 2.045 1.00 0.00 N ATOM 518 CA SER A 36 -17.594 2.178 3.016 1.00 0.00 C ATOM 519 C SER A 36 -17.004 3.408 2.333 1.00 0.00 C ATOM 520 O SER A 36 -16.956 4.491 2.915 1.00 0.00 O ATOM 521 CB SER A 36 -16.494 1.414 3.756 1.00 0.00 C ATOM 522 OG SER A 36 -17.029 0.314 4.471 1.00 0.00 O ATOM 0 H SER A 36 -17.901 0.349 2.035 1.00 0.00 H new ATOM 0 HA SER A 36 -18.344 2.508 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.750 1.060 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.982 2.085 4.445 1.00 0.00 H new ATOM 0 HG SER A 36 -17.556 0.642 5.230 1.00 0.00 H new ATOM 528 N TRP A 37 -16.557 3.231 1.095 1.00 0.00 N ATOM 529 CA TRP A 37 -15.970 4.326 0.332 1.00 0.00 C ATOM 530 C TRP A 37 -16.903 4.771 -0.789 1.00 0.00 C ATOM 531 O TRP A 37 -16.454 5.238 -1.835 1.00 0.00 O ATOM 532 CB TRP A 37 -14.620 3.903 -0.250 1.00 0.00 C ATOM 533 CG TRP A 37 -13.779 3.117 0.709 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.055 1.878 1.215 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.529 3.516 1.280 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.050 1.484 2.066 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.102 2.471 2.122 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.727 4.654 1.159 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.910 2.533 2.839 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.544 4.714 1.872 1.00 0.00 C ATOM 541 CH2 TRP A 37 -10.144 3.659 2.702 1.00 0.00 C ATOM 0 H TRP A 37 -16.590 2.341 0.599 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.819 5.167 1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.790 3.306 -1.146 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.071 4.793 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.933 1.294 0.981 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.016 0.600 2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -12.026 5.472 0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.601 1.721 3.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.917 5.590 1.788 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.213 3.735 3.244 1.00 0.00 H new ATOM 552 N ARG A 38 -18.205 4.623 -0.563 1.00 0.00 N ATOM 553 CA ARG A 38 -19.201 5.008 -1.554 1.00 0.00 C ATOM 554 C ARG A 38 -19.489 6.505 -1.483 1.00 0.00 C ATOM 555 O ARG A 38 -19.686 7.159 -2.507 1.00 0.00 O ATOM 556 CB ARG A 38 -20.495 4.219 -1.342 1.00 0.00 C ATOM 557 CG ARG A 38 -21.365 4.766 -0.223 1.00 0.00 C ATOM 558 CD ARG A 38 -22.686 4.018 -0.128 1.00 0.00 C ATOM 559 NE ARG A 38 -23.576 4.604 0.871 1.00 0.00 N ATOM 560 CZ ARG A 38 -23.527 4.306 2.164 1.00 0.00 C ATOM 561 NH1 ARG A 38 -22.635 3.434 2.614 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.371 4.881 3.011 1.00 0.00 N ATOM 0 H ARG A 38 -18.594 4.239 0.298 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.801 4.779 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.067 4.220 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.246 3.181 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.832 4.688 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.557 5.825 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.178 4.026 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.495 2.975 0.124 1.00 0.00 H new ATOM 0 HE ARG A 38 -24.274 5.279 0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -21.984 2.990 1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -22.600 3.207 3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.058 5.553 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -24.333 4.651 4.004 1.00 0.00 H new ATOM 576 N SER A 39 -19.510 7.041 -0.266 1.00 0.00 N ATOM 577 CA SER A 39 -19.778 8.460 -0.061 1.00 0.00 C ATOM 578 C SER A 39 -18.526 9.292 -0.321 1.00 0.00 C ATOM 579 O SER A 39 -18.575 10.308 -1.013 1.00 0.00 O ATOM 580 CB SER A 39 -20.279 8.704 1.364 1.00 0.00 C ATOM 581 OG SER A 39 -19.284 8.378 2.318 1.00 0.00 O ATOM 0 H SER A 39 -19.345 6.514 0.592 1.00 0.00 H new ATOM 0 HA SER A 39 -20.549 8.765 -0.768 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.567 9.749 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.172 8.106 1.546 1.00 0.00 H new ATOM 0 HG SER A 39 -19.629 8.544 3.220 1.00 0.00 H new ATOM 587 N GLY A 40 -17.403 8.852 0.239 1.00 0.00 N ATOM 588 CA GLY A 40 -16.153 9.567 0.057 1.00 0.00 C ATOM 589 C GLY A 40 -15.482 9.905 1.373 1.00 0.00 C ATOM 590 O GLY A 40 -14.269 9.743 1.520 1.00 0.00 O ATOM 0 H GLY A 40 -17.337 8.013 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.477 8.962 -0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.341 10.486 -0.498 1.00 0.00 H new ATOM 594 N LEU A 41 -16.269 10.377 2.333 1.00 0.00 N ATOM 595 CA LEU A 41 -15.743 10.741 3.645 1.00 0.00 C ATOM 596 C LEU A 41 -14.612 9.804 4.057 1.00 0.00 C ATOM 597 O LEU A 41 -13.602 10.239 4.608 1.00 0.00 O ATOM 598 CB LEU A 41 -16.858 10.704 4.691 1.00 0.00 C ATOM 599 CG LEU A 41 -18.069 11.595 4.413 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.160 11.351 5.444 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.662 13.061 4.401 1.00 0.00 C ATOM 0 H LEU A 41 -17.274 10.517 2.228 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.346 11.754 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.204 9.675 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.435 10.990 5.654 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.464 11.341 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.014 11.994 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.472 10.308 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.777 11.576 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.537 13.680 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.241 13.330 5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.916 13.225 3.623 1.00 0.00 H new ATOM 613 N ALA A 42 -14.790 8.515 3.784 1.00 0.00 N ATOM 614 CA ALA A 42 -13.783 7.517 4.123 1.00 0.00 C ATOM 615 C ALA A 42 -12.396 7.961 3.671 1.00 0.00 C ATOM 616 O ALA A 42 -11.529 8.259 4.493 1.00 0.00 O ATOM 617 CB ALA A 42 -14.139 6.175 3.500 1.00 0.00 C ATOM 0 H ALA A 42 -15.622 8.138 3.329 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.765 7.408 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.378 5.439 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.107 5.845 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.186 6.278 2.416 1.00 0.00 H new ATOM 623 N LEU A 43 -12.192 8.002 2.359 1.00 0.00 N ATOM 624 CA LEU A 43 -10.909 8.410 1.796 1.00 0.00 C ATOM 625 C LEU A 43 -10.551 9.828 2.228 1.00 0.00 C ATOM 626 O LEU A 43 -9.457 10.075 2.737 1.00 0.00 O ATOM 627 CB LEU A 43 -10.949 8.324 0.269 1.00 0.00 C ATOM 628 CG LEU A 43 -9.803 9.014 -0.472 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.469 8.396 -0.084 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.014 8.930 -1.976 1.00 0.00 C ATOM 0 H LEU A 43 -12.898 7.758 1.665 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.143 7.732 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.958 7.272 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.889 8.755 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.791 10.065 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.665 8.899 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.315 8.508 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.470 7.337 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.189 9.426 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.053 7.884 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.951 9.420 -2.240 1.00 0.00 H new ATOM 642 N CYS A 44 -11.480 10.755 2.024 1.00 0.00 N ATOM 643 CA CYS A 44 -11.262 12.149 2.394 1.00 0.00 C ATOM 644 C CYS A 44 -10.566 12.251 3.747 1.00 0.00 C ATOM 645 O CYS A 44 -9.760 13.151 3.976 1.00 0.00 O ATOM 646 CB CYS A 44 -12.593 12.902 2.434 1.00 0.00 C ATOM 647 SG CYS A 44 -13.469 12.936 0.852 1.00 0.00 S ATOM 0 H CYS A 44 -12.391 10.567 1.605 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.618 12.602 1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.236 12.442 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.409 13.927 2.758 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.742 12.773 1.057 1.00 0.00 H new ATOM 653 N ALA A 45 -10.886 11.321 4.642 1.00 0.00 N ATOM 654 CA ALA A 45 -10.291 11.306 5.973 1.00 0.00 C ATOM 655 C ALA A 45 -8.796 11.017 5.903 1.00 0.00 C ATOM 656 O ALA A 45 -7.976 11.826 6.338 1.00 0.00 O ATOM 657 CB ALA A 45 -10.989 10.277 6.851 1.00 0.00 C ATOM 0 H ALA A 45 -11.553 10.569 4.469 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.423 12.294 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.535 10.276 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.046 10.529 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.887 9.288 6.404 1.00 0.00 H new ATOM 663 N ILE A 46 -8.447 9.859 5.353 1.00 0.00 N ATOM 664 CA ILE A 46 -7.049 9.464 5.225 1.00 0.00 C ATOM 665 C ILE A 46 -6.188 10.633 4.760 1.00 0.00 C ATOM 666 O ILE A 46 -5.221 11.007 5.424 1.00 0.00 O ATOM 667 CB ILE A 46 -6.882 8.294 4.238 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.646 7.065 4.736 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.409 7.967 4.049 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.769 5.969 3.701 1.00 0.00 C ATOM 0 H ILE A 46 -9.113 9.178 4.989 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.720 9.144 6.214 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.295 8.590 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.143 6.667 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.644 7.370 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.307 7.138 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.890 8.841 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.972 7.688 5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.322 5.130 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.299 6.350 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.775 5.636 3.404 1.00 0.00 H new ATOM 682 N ILE A 47 -6.547 11.208 3.617 1.00 0.00 N ATOM 683 CA ILE A 47 -5.809 12.337 3.065 1.00 0.00 C ATOM 684 C ILE A 47 -5.724 13.482 4.068 1.00 0.00 C ATOM 685 O ILE A 47 -4.638 13.847 4.519 1.00 0.00 O ATOM 686 CB ILE A 47 -6.458 12.853 1.767 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.494 11.745 0.713 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.703 14.066 1.244 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.478 12.007 -0.406 1.00 0.00 C ATOM 0 H ILE A 47 -7.345 10.910 3.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.804 11.978 2.842 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.483 13.153 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.497 11.626 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.749 10.802 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.173 14.419 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.725 14.859 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.669 13.790 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.450 11.181 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.483 12.097 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.211 12.933 -0.916 1.00 0.00 H new ATOM 701 N HIS A 48 -6.877 14.044 4.416 1.00 0.00 N ATOM 702 CA HIS A 48 -6.934 15.146 5.369 1.00 0.00 C ATOM 703 C HIS A 48 -5.930 14.940 6.498 1.00 0.00 C ATOM 704 O HIS A 48 -5.201 15.861 6.869 1.00 0.00 O ATOM 705 CB HIS A 48 -8.345 15.280 5.943 1.00 0.00 C ATOM 706 CG HIS A 48 -8.422 16.175 7.141 1.00 0.00 C ATOM 707 ND1 HIS A 48 -7.791 15.892 8.334 1.00 0.00 N ATOM 708 CD2 HIS A 48 -9.059 17.355 7.325 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.038 16.858 9.201 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.805 17.759 8.613 1.00 0.00 N ATOM 0 H HIS A 48 -7.785 13.754 4.052 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.677 16.064 4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.008 15.665 5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.713 14.291 6.215 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.656 17.881 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.675 16.903 10.217 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.152 18.615 9.045 1.00 0.00 H new ATOM 719 N ARG A 49 -5.897 13.728 7.041 1.00 0.00 N ATOM 720 CA ARG A 49 -4.983 13.402 8.130 1.00 0.00 C ATOM 721 C ARG A 49 -3.617 14.042 7.902 1.00 0.00 C ATOM 722 O ARG A 49 -3.151 14.841 8.715 1.00 0.00 O ATOM 723 CB ARG A 49 -4.833 11.886 8.261 1.00 0.00 C ATOM 724 CG ARG A 49 -4.089 11.454 9.514 1.00 0.00 C ATOM 725 CD ARG A 49 -4.920 11.693 10.765 1.00 0.00 C ATOM 726 NE ARG A 49 -5.746 10.536 11.103 1.00 0.00 N ATOM 727 CZ ARG A 49 -5.309 9.503 11.814 1.00 0.00 C ATOM 728 NH1 ARG A 49 -4.060 9.483 12.261 1.00 0.00 N ATOM 729 NH2 ARG A 49 -6.120 8.488 12.081 1.00 0.00 N ATOM 0 H ARG A 49 -6.493 12.955 6.745 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.402 13.800 9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.823 11.430 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.306 11.504 7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.835 10.397 9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.150 12.003 9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.259 11.923 11.601 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.559 12.563 10.615 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.712 10.521 10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.433 10.262 12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.726 8.689 12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.081 8.500 11.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.782 7.696 12.627 1.00 0.00 H new ATOM 743 N PHE A 50 -2.979 13.685 6.792 1.00 0.00 N ATOM 744 CA PHE A 50 -1.666 14.223 6.459 1.00 0.00 C ATOM 745 C PHE A 50 -1.767 15.689 6.047 1.00 0.00 C ATOM 746 O PHE A 50 -1.021 16.536 6.539 1.00 0.00 O ATOM 747 CB PHE A 50 -1.029 13.408 5.331 1.00 0.00 C ATOM 748 CG PHE A 50 -0.848 11.956 5.670 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.874 11.049 5.462 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.349 11.498 6.197 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.711 9.712 5.772 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.518 10.162 6.509 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.513 9.268 6.297 1.00 0.00 C ATOM 0 H PHE A 50 -3.350 13.025 6.108 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.038 14.156 7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.650 13.490 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.059 13.839 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.813 11.391 5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.159 12.192 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.519 9.015 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.456 9.817 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.383 8.224 6.541 1.00 0.00 H new ATOM 763 N ARG A 51 -2.694 15.980 5.141 1.00 0.00 N ATOM 764 CA ARG A 51 -2.892 17.343 4.661 1.00 0.00 C ATOM 765 C ARG A 51 -4.351 17.766 4.812 1.00 0.00 C ATOM 766 O ARG A 51 -5.171 17.586 3.912 1.00 0.00 O ATOM 767 CB ARG A 51 -2.466 17.457 3.196 1.00 0.00 C ATOM 768 CG ARG A 51 -1.004 17.832 3.015 1.00 0.00 C ATOM 769 CD ARG A 51 -0.081 16.713 3.470 1.00 0.00 C ATOM 770 NE ARG A 51 1.289 16.909 3.005 1.00 0.00 N ATOM 771 CZ ARG A 51 1.720 16.530 1.807 1.00 0.00 C ATOM 772 NH1 ARG A 51 0.892 15.938 0.958 1.00 0.00 N ATOM 773 NH2 ARG A 51 2.982 16.745 1.456 1.00 0.00 N ATOM 0 H ARG A 51 -3.320 15.291 4.724 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.274 18.008 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.653 16.506 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.088 18.204 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.813 18.059 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.787 18.737 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.089 16.656 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.457 15.760 3.098 1.00 0.00 H new ATOM 0 HE ARG A 51 1.952 17.362 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.079 15.772 1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.226 15.648 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.622 17.201 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.312 16.454 0.536 1.00 0.00 H new ATOM 787 N PRO A 52 -4.683 18.341 5.977 1.00 0.00 N ATOM 788 CA PRO A 52 -6.043 18.801 6.274 1.00 0.00 C ATOM 789 C PRO A 52 -6.435 20.021 5.447 1.00 0.00 C ATOM 790 O PRO A 52 -7.608 20.387 5.384 1.00 0.00 O ATOM 791 CB PRO A 52 -5.979 19.160 7.760 1.00 0.00 C ATOM 792 CG PRO A 52 -4.546 19.479 8.012 1.00 0.00 C ATOM 793 CD PRO A 52 -3.756 18.587 7.095 1.00 0.00 C ATOM 0 HA PRO A 52 -6.791 18.044 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.620 20.011 7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.315 18.331 8.382 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.338 20.530 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.283 19.298 9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.838 19.069 6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.466 17.659 7.588 1.00 0.00 H new ATOM 801 N GLU A 53 -5.446 20.645 4.815 1.00 0.00 N ATOM 802 CA GLU A 53 -5.689 21.825 3.993 1.00 0.00 C ATOM 803 C GLU A 53 -6.296 21.435 2.649 1.00 0.00 C ATOM 804 O GLU A 53 -7.181 22.118 2.132 1.00 0.00 O ATOM 805 CB GLU A 53 -4.387 22.598 3.773 1.00 0.00 C ATOM 806 CG GLU A 53 -3.302 21.781 3.091 1.00 0.00 C ATOM 807 CD GLU A 53 -2.044 22.585 2.830 1.00 0.00 C ATOM 808 OE1 GLU A 53 -1.266 22.797 3.783 1.00 0.00 O ATOM 809 OE2 GLU A 53 -1.837 23.002 1.671 1.00 0.00 O ATOM 0 H GLU A 53 -4.469 20.353 4.856 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.397 22.464 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.597 23.482 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.015 22.948 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.056 20.920 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.684 21.394 2.146 1.00 0.00 H new ATOM 816 N LEU A 54 -5.813 20.332 2.086 1.00 0.00 N ATOM 817 CA LEU A 54 -6.306 19.850 0.801 1.00 0.00 C ATOM 818 C LEU A 54 -7.777 19.456 0.895 1.00 0.00 C ATOM 819 O LEU A 54 -8.564 19.736 -0.010 1.00 0.00 O ATOM 820 CB LEU A 54 -5.475 18.656 0.328 1.00 0.00 C ATOM 821 CG LEU A 54 -3.964 18.877 0.255 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.236 17.547 0.129 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.615 19.791 -0.910 1.00 0.00 C ATOM 0 H LEU A 54 -5.081 19.755 2.500 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.211 20.659 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.667 17.817 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.827 18.363 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.641 19.359 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.162 17.724 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.461 16.925 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.563 17.038 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.536 19.937 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.952 19.337 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.107 20.754 -0.777 1.00 0.00 H new ATOM 835 N ILE A 55 -8.140 18.807 1.996 1.00 0.00 N ATOM 836 CA ILE A 55 -9.517 18.377 2.210 1.00 0.00 C ATOM 837 C ILE A 55 -10.008 18.778 3.596 1.00 0.00 C ATOM 838 O ILE A 55 -9.277 18.673 4.580 1.00 0.00 O ATOM 839 CB ILE A 55 -9.662 16.853 2.047 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.181 16.418 0.661 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.108 16.432 2.268 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.126 14.916 0.484 1.00 0.00 C ATOM 0 H ILE A 55 -7.500 18.567 2.754 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.125 18.874 1.454 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.042 16.362 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.844 16.841 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.189 16.833 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.195 15.352 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.419 16.713 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.747 16.930 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.777 14.681 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.441 14.488 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.121 14.496 0.630 1.00 0.00 H new ATOM 854 N ASN A 56 -11.254 19.237 3.666 1.00 0.00 N ATOM 855 CA ASN A 56 -11.845 19.653 4.933 1.00 0.00 C ATOM 856 C ASN A 56 -13.019 18.753 5.307 1.00 0.00 C ATOM 857 O ASN A 56 -14.179 19.108 5.100 1.00 0.00 O ATOM 858 CB ASN A 56 -12.310 21.108 4.850 1.00 0.00 C ATOM 859 CG ASN A 56 -12.763 21.491 3.454 1.00 0.00 C ATOM 860 OD1 ASN A 56 -13.684 20.712 2.897 1.00 0.00 O flip ATOM 861 ND2 ASN A 56 -12.292 22.475 2.884 1.00 0.00 N flip ATOM 0 H ASN A 56 -11.873 19.330 2.861 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.082 19.566 5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.130 21.265 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.497 21.765 5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.586 23.045 3.350 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.608 22.720 1.946 1.00 0.00 H new ATOM 868 N PHE A 57 -12.709 17.585 5.861 1.00 0.00 N ATOM 869 CA PHE A 57 -13.737 16.633 6.264 1.00 0.00 C ATOM 870 C PHE A 57 -14.905 17.347 6.937 1.00 0.00 C ATOM 871 O PHE A 57 -16.028 17.336 6.432 1.00 0.00 O ATOM 872 CB PHE A 57 -13.149 15.586 7.213 1.00 0.00 C ATOM 873 CG PHE A 57 -14.072 14.430 7.476 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.285 14.627 8.116 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.727 13.148 7.082 1.00 0.00 C ATOM 876 CE1 PHE A 57 -16.135 13.565 8.360 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.573 12.082 7.323 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.779 12.291 7.962 1.00 0.00 C ATOM 0 H PHE A 57 -11.754 17.275 6.041 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.106 16.134 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.217 15.208 6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.900 16.065 8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.569 15.621 8.428 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.786 12.979 6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.077 13.731 8.862 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.291 11.087 7.012 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.443 11.460 8.150 1.00 0.00 H new ATOM 888 N ASP A 58 -14.632 17.967 8.080 1.00 0.00 N ATOM 889 CA ASP A 58 -15.660 18.687 8.824 1.00 0.00 C ATOM 890 C ASP A 58 -16.591 19.436 7.877 1.00 0.00 C ATOM 891 O ASP A 58 -17.801 19.494 8.097 1.00 0.00 O ATOM 892 CB ASP A 58 -15.016 19.666 9.807 1.00 0.00 C ATOM 893 CG ASP A 58 -16.009 20.212 10.814 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.341 19.486 11.773 1.00 0.00 O ATOM 895 OD2 ASP A 58 -16.454 21.367 10.642 1.00 0.00 O ATOM 0 H ASP A 58 -13.708 17.986 8.512 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.248 17.958 9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.205 19.165 10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.572 20.493 9.253 1.00 0.00 H new ATOM 900 N SER A 59 -16.019 20.010 6.823 1.00 0.00 N ATOM 901 CA SER A 59 -16.798 20.761 5.845 1.00 0.00 C ATOM 902 C SER A 59 -17.542 19.818 4.904 1.00 0.00 C ATOM 903 O SER A 59 -18.678 20.085 4.509 1.00 0.00 O ATOM 904 CB SER A 59 -15.886 21.688 5.039 1.00 0.00 C ATOM 905 OG SER A 59 -16.565 22.221 3.916 1.00 0.00 O ATOM 0 H SER A 59 -15.019 19.969 6.625 1.00 0.00 H new ATOM 0 HA SER A 59 -17.530 21.362 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.535 22.501 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.005 21.139 4.708 1.00 0.00 H new ATOM 0 HG SER A 59 -15.961 22.811 3.418 1.00 0.00 H new ATOM 911 N LEU A 60 -16.895 18.713 4.550 1.00 0.00 N ATOM 912 CA LEU A 60 -17.494 17.729 3.655 1.00 0.00 C ATOM 913 C LEU A 60 -18.864 17.293 4.165 1.00 0.00 C ATOM 914 O LEU A 60 -18.965 16.496 5.097 1.00 0.00 O ATOM 915 CB LEU A 60 -16.577 16.512 3.517 1.00 0.00 C ATOM 916 CG LEU A 60 -15.162 16.792 3.009 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.316 15.530 3.064 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.204 17.347 1.592 1.00 0.00 C ATOM 0 H LEU A 60 -15.956 18.476 4.869 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.622 18.193 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.503 16.026 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.050 15.800 2.840 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.705 17.540 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.313 15.748 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.258 15.175 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.770 14.760 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.188 17.540 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.680 16.622 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.774 18.276 1.582 1.00 0.00 H new ATOM 930 N ASN A 61 -19.915 17.819 3.546 1.00 0.00 N ATOM 931 CA ASN A 61 -21.280 17.482 3.936 1.00 0.00 C ATOM 932 C ASN A 61 -21.555 15.996 3.724 1.00 0.00 C ATOM 933 O ASN A 61 -21.456 15.490 2.608 1.00 0.00 O ATOM 934 CB ASN A 61 -22.282 18.317 3.135 1.00 0.00 C ATOM 935 CG ASN A 61 -23.535 18.632 3.929 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.907 17.731 4.830 1.00 0.00 O flip ATOM 937 ND2 ASN A 61 -24.161 19.674 3.733 1.00 0.00 N flip ATOM 0 H ASN A 61 -19.849 18.480 2.772 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.395 17.707 4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.808 19.248 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.556 17.779 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -23.838 20.338 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -25.003 19.873 4.274 1.00 0.00 H new ATOM 944 N GLU A 62 -21.902 15.305 4.806 1.00 0.00 N ATOM 945 CA GLU A 62 -22.191 13.877 4.738 1.00 0.00 C ATOM 946 C GLU A 62 -23.122 13.566 3.570 1.00 0.00 C ATOM 947 O GLU A 62 -23.008 12.518 2.934 1.00 0.00 O ATOM 948 CB GLU A 62 -22.821 13.400 6.048 1.00 0.00 C ATOM 949 CG GLU A 62 -24.101 14.134 6.411 1.00 0.00 C ATOM 950 CD GLU A 62 -24.954 13.365 7.402 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.875 12.118 7.409 1.00 0.00 O ATOM 952 OE2 GLU A 62 -25.699 14.008 8.169 1.00 0.00 O ATOM 0 H GLU A 62 -21.990 15.710 5.738 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.251 13.348 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.033 12.333 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.099 13.525 6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.850 15.108 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.679 14.318 5.505 1.00 0.00 H new ATOM 959 N ASP A 63 -24.043 14.482 3.294 1.00 0.00 N ATOM 960 CA ASP A 63 -24.994 14.307 2.203 1.00 0.00 C ATOM 961 C ASP A 63 -24.337 14.597 0.857 1.00 0.00 C ATOM 962 O ASP A 63 -24.651 13.961 -0.149 1.00 0.00 O ATOM 963 CB ASP A 63 -26.205 15.221 2.401 1.00 0.00 C ATOM 964 CG ASP A 63 -27.438 14.712 1.681 1.00 0.00 C ATOM 965 OD1 ASP A 63 -28.038 13.725 2.157 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.805 15.301 0.643 1.00 0.00 O ATOM 0 H ASP A 63 -24.151 15.354 3.811 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.327 13.269 2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.420 15.309 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.964 16.221 2.041 1.00 0.00 H new ATOM 971 N ASP A 64 -23.423 15.562 0.847 1.00 0.00 N ATOM 972 CA ASP A 64 -22.721 15.936 -0.375 1.00 0.00 C ATOM 973 C ASP A 64 -21.609 14.941 -0.690 1.00 0.00 C ATOM 974 O ASP A 64 -20.468 15.329 -0.942 1.00 0.00 O ATOM 975 CB ASP A 64 -22.140 17.345 -0.243 1.00 0.00 C ATOM 976 CG ASP A 64 -23.214 18.400 -0.065 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.132 18.180 0.754 1.00 0.00 O ATOM 978 OD2 ASP A 64 -23.137 19.445 -0.743 1.00 0.00 O ATOM 0 H ASP A 64 -23.151 16.099 1.671 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.438 15.922 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.460 17.376 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.551 17.577 -1.130 1.00 0.00 H new ATOM 983 N ALA A 65 -21.948 13.656 -0.672 1.00 0.00 N ATOM 984 CA ALA A 65 -20.979 12.606 -0.956 1.00 0.00 C ATOM 985 C ALA A 65 -20.339 12.805 -2.325 1.00 0.00 C ATOM 986 O ALA A 65 -19.114 12.830 -2.452 1.00 0.00 O ATOM 987 CB ALA A 65 -21.643 11.239 -0.875 1.00 0.00 C ATOM 0 H ALA A 65 -22.887 13.318 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.191 12.660 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -20.907 10.464 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.046 11.089 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.451 11.183 -1.604 1.00 0.00 H new ATOM 993 N VAL A 66 -21.175 12.945 -3.349 1.00 0.00 N ATOM 994 CA VAL A 66 -20.690 13.143 -4.710 1.00 0.00 C ATOM 995 C VAL A 66 -19.576 14.183 -4.751 1.00 0.00 C ATOM 996 O VAL A 66 -18.468 13.901 -5.208 1.00 0.00 O ATOM 997 CB VAL A 66 -21.826 13.586 -5.651 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.291 13.834 -7.054 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.937 12.547 -5.671 1.00 0.00 C ATOM 0 H VAL A 66 -22.191 12.925 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.300 12.184 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.241 14.521 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.108 14.146 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.533 14.617 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.848 12.917 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.731 12.876 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.538 11.595 -6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.338 12.424 -4.665 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.878 15.385 -4.271 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.901 16.467 -4.254 1.00 0.00 C ATOM 1011 C GLU A 67 -17.644 16.053 -3.494 1.00 0.00 C ATOM 1012 O GLU A 67 -16.529 16.196 -3.994 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.506 17.720 -3.616 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.312 18.568 -4.586 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.447 19.528 -5.379 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -18.638 20.249 -4.758 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -19.578 19.558 -6.621 1.00 0.00 O ATOM 0 H GLU A 67 -20.790 15.634 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.625 16.689 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.148 17.422 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.704 18.327 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.849 17.915 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.062 19.133 -4.032 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.833 15.540 -2.283 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.715 15.105 -1.453 1.00 0.00 C ATOM 1026 C ASN A 68 -15.807 14.150 -2.221 1.00 0.00 C ATOM 1027 O ASN A 68 -14.584 14.284 -2.195 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.230 14.428 -0.182 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.160 15.322 0.614 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.139 16.544 0.469 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -18.983 14.715 1.461 1.00 0.00 N ATOM 0 H ASN A 68 -18.750 15.415 -1.854 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.135 15.986 -1.177 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -17.754 13.510 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.384 14.142 0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.632 15.265 2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.966 13.699 1.549 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.415 13.185 -2.904 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.661 12.206 -3.679 1.00 0.00 C ATOM 1040 C ASN A 69 -14.799 12.894 -4.733 1.00 0.00 C ATOM 1041 O ASN A 69 -13.572 12.808 -4.697 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.614 11.215 -4.352 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.207 10.226 -3.368 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.503 9.677 -2.520 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.510 9.993 -3.477 1.00 0.00 N ATOM 0 H ASN A 69 -17.427 13.060 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.006 11.665 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.419 11.764 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.079 10.672 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.966 9.337 -2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.055 10.470 -4.195 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.450 13.578 -5.669 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.742 14.281 -6.732 1.00 0.00 C ATOM 1054 C GLN A 70 -13.554 15.057 -6.174 1.00 0.00 C ATOM 1055 O GLN A 70 -12.472 15.066 -6.764 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.690 15.232 -7.463 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.325 15.455 -8.922 1.00 0.00 C ATOM 1058 CD GLN A 70 -13.868 15.830 -9.107 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -13.513 17.010 -9.098 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.014 14.827 -9.277 1.00 0.00 N ATOM 0 H GLN A 70 -16.466 13.660 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.368 13.539 -7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.703 14.835 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.696 16.193 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.538 14.549 -9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.955 16.244 -9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.351 13.864 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.021 15.019 -9.407 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.761 15.709 -5.035 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.707 16.489 -4.397 1.00 0.00 C ATOM 1071 C LEU A 71 -11.459 15.641 -4.177 1.00 0.00 C ATOM 1072 O LEU A 71 -10.400 15.919 -4.739 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.198 17.051 -3.062 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.164 17.812 -2.232 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.739 19.086 -2.947 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.718 18.133 -0.852 1.00 0.00 C ATOM 0 H LEU A 71 -14.650 15.713 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.450 17.316 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.038 17.717 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.580 16.225 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.286 17.177 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.003 19.615 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.301 18.833 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.609 19.725 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.968 18.675 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.612 18.748 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.972 17.206 -0.337 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.592 14.604 -3.355 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.476 13.713 -3.064 1.00 0.00 C ATOM 1090 C ALA A 72 -9.811 13.227 -4.348 1.00 0.00 C ATOM 1091 O ALA A 72 -8.585 13.221 -4.461 1.00 0.00 O ATOM 1092 CB ALA A 72 -10.949 12.530 -2.232 1.00 0.00 C ATOM 0 H ALA A 72 -12.461 14.361 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.736 14.273 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.105 11.872 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.371 12.890 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.710 11.978 -2.784 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.628 12.820 -5.314 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.119 12.330 -6.590 1.00 0.00 C ATOM 1100 C PHE A 73 -9.318 13.413 -7.307 1.00 0.00 C ATOM 1101 O PHE A 73 -8.256 13.144 -7.868 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.274 11.862 -7.478 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.033 10.698 -6.909 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.364 9.647 -6.302 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.416 10.653 -6.983 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.060 8.574 -5.777 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.117 9.583 -6.460 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.438 8.542 -5.858 1.00 0.00 C ATOM 0 H PHE A 73 -11.645 12.820 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.459 11.486 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.962 12.693 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.881 11.586 -8.456 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.286 9.666 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.952 11.463 -7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.527 7.762 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.195 9.561 -6.522 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.984 7.704 -5.451 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.835 14.636 -7.284 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.168 15.760 -7.931 1.00 0.00 C ATOM 1120 C ASP A 74 -7.815 16.036 -7.282 1.00 0.00 C ATOM 1121 O ASP A 74 -6.781 16.026 -7.950 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.046 17.011 -7.860 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.332 18.249 -8.364 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.360 18.494 -9.589 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -8.745 18.974 -7.534 1.00 0.00 O ATOM 0 H ASP A 74 -10.714 14.875 -6.824 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.003 15.500 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.949 16.851 -8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.362 17.172 -6.829 1.00 0.00 H new ATOM 1130 N VAL A 75 -7.830 16.284 -5.976 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.605 16.563 -5.237 1.00 0.00 C ATOM 1132 C VAL A 75 -5.541 15.508 -5.518 1.00 0.00 C ATOM 1133 O VAL A 75 -4.399 15.834 -5.839 1.00 0.00 O ATOM 1134 CB VAL A 75 -6.866 16.622 -3.720 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.565 16.840 -2.963 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -7.871 17.717 -3.395 1.00 0.00 C ATOM 0 H VAL A 75 -8.677 16.297 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.246 17.535 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.287 15.668 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.769 16.879 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.880 16.018 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.112 17.779 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.044 17.745 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.480 18.679 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.811 17.512 -3.908 1.00 0.00 H new ATOM 1146 N ALA A 76 -5.925 14.242 -5.396 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.005 13.137 -5.639 1.00 0.00 C ATOM 1148 C ALA A 76 -4.349 13.262 -7.010 1.00 0.00 C ATOM 1149 O ALA A 76 -3.197 12.869 -7.194 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.734 11.807 -5.519 1.00 0.00 C ATOM 0 H ALA A 76 -6.867 13.956 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.220 13.177 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.035 10.991 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.150 11.709 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.540 11.766 -6.252 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.090 13.809 -7.968 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.579 13.982 -9.323 1.00 0.00 C ATOM 1158 C GLU A 77 -3.834 15.307 -9.458 1.00 0.00 C ATOM 1159 O GLU A 77 -3.137 15.542 -10.445 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.725 13.924 -10.335 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.268 13.642 -11.757 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.714 14.873 -12.447 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -5.349 15.943 -12.351 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.644 14.765 -13.082 1.00 0.00 O ATOM 0 H GLU A 77 -6.045 14.140 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.881 13.170 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.430 13.151 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.263 14.872 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.504 12.864 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.107 13.254 -12.334 1.00 0.00 H new ATOM 1171 N ARG A 78 -3.987 16.170 -8.458 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.331 17.471 -8.466 1.00 0.00 C ATOM 1173 C ARG A 78 -1.989 17.408 -7.741 1.00 0.00 C ATOM 1174 O ARG A 78 -1.050 18.121 -8.092 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.228 18.522 -7.808 1.00 0.00 C ATOM 1176 CG ARG A 78 -3.526 19.845 -7.548 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.209 20.629 -6.439 1.00 0.00 C ATOM 1178 NE ARG A 78 -5.491 21.181 -6.867 1.00 0.00 N ATOM 1179 CZ ARG A 78 -6.291 21.883 -6.073 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -5.943 22.118 -4.815 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -7.443 22.352 -6.536 1.00 0.00 N ATOM 0 H ARG A 78 -4.559 15.991 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.152 17.753 -9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.094 18.699 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.603 18.128 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.487 19.660 -7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.516 20.439 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.364 19.979 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.556 21.439 -6.113 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.789 21.018 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.059 21.759 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.560 22.658 -4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.715 22.173 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.057 22.891 -5.925 1.00 0.00 H new ATOM 1195 N GLU A 79 -1.909 16.549 -6.730 1.00 0.00 N ATOM 1196 CA GLU A 79 -0.682 16.394 -5.956 1.00 0.00 C ATOM 1197 C GLU A 79 0.039 15.103 -6.333 1.00 0.00 C ATOM 1198 O GLU A 79 1.219 15.118 -6.685 1.00 0.00 O ATOM 1199 CB GLU A 79 -0.994 16.399 -4.458 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.302 17.780 -3.905 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.903 17.927 -2.449 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.834 16.899 -1.745 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.660 19.073 -2.015 1.00 0.00 O ATOM 0 H GLU A 79 -2.678 15.950 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.028 17.235 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.845 15.744 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.145 15.981 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.779 18.530 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.369 17.979 -4.008 1.00 0.00 H new ATOM 1210 N PHE A 80 -0.678 13.987 -6.255 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.107 12.687 -6.585 1.00 0.00 C ATOM 1212 C PHE A 80 -0.191 12.421 -8.086 1.00 0.00 C ATOM 1213 O PHE A 80 0.570 11.622 -8.629 1.00 0.00 O ATOM 1214 CB PHE A 80 -0.832 11.578 -5.819 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.114 11.926 -4.385 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.096 12.356 -3.549 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.397 11.825 -3.874 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.353 12.677 -2.230 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.661 12.144 -2.555 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.637 12.572 -1.732 1.00 0.00 C ATOM 0 H PHE A 80 -1.656 13.957 -5.966 1.00 0.00 H new ATOM 0 HA PHE A 80 0.943 12.695 -6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.773 11.355 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.229 10.670 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.910 12.441 -3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.201 11.493 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.450 13.010 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.666 12.059 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.840 12.824 -0.702 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.124 13.098 -8.749 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.291 12.922 -10.180 1.00 0.00 C ATOM 1232 C GLY A 81 -1.872 11.567 -10.533 1.00 0.00 C ATOM 1233 O GLY A 81 -1.534 10.990 -11.567 1.00 0.00 O ATOM 0 H GLY A 81 -1.767 13.765 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.943 13.705 -10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.326 13.040 -10.673 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.747 11.058 -9.672 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.375 9.762 -9.899 1.00 0.00 C ATOM 1239 C ILE A 82 -4.791 9.925 -10.441 1.00 0.00 C ATOM 1240 O ILE A 82 -5.673 10.482 -9.787 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.426 8.927 -8.606 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -2.010 8.662 -8.089 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.161 7.618 -8.850 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.976 8.092 -6.688 1.00 0.00 C ATOM 0 H ILE A 82 -3.037 11.523 -8.812 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.764 9.240 -10.635 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.970 9.490 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.508 7.971 -8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.445 9.594 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.189 7.039 -7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.179 7.828 -9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.642 7.048 -9.621 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.941 7.929 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.449 8.792 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.513 7.144 -6.668 1.00 0.00 H new ATOM 1256 N PRO A 83 -5.017 9.427 -11.666 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.325 9.503 -12.323 1.00 0.00 C ATOM 1258 C PRO A 83 -7.360 8.602 -11.659 1.00 0.00 C ATOM 1259 O PRO A 83 -7.112 7.427 -11.386 1.00 0.00 O ATOM 1260 CB PRO A 83 -6.035 9.024 -13.748 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.829 8.158 -13.618 1.00 0.00 C ATOM 1262 CD PRO A 83 -4.012 8.751 -12.504 1.00 0.00 C ATOM 0 HA PRO A 83 -6.748 10.506 -12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.879 8.469 -14.159 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.849 9.864 -14.418 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.110 7.129 -13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.262 8.136 -14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.475 7.983 -11.947 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.267 9.451 -12.881 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.549 9.162 -11.393 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.647 8.425 -10.758 1.00 0.00 C ATOM 1272 C PRO A 84 -10.242 7.365 -11.678 1.00 0.00 C ATOM 1273 O PRO A 84 -10.381 7.581 -12.882 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.679 9.515 -10.460 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.400 10.585 -11.458 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.915 10.557 -11.691 1.00 0.00 C ATOM 0 HA PRO A 84 -9.315 7.880 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.696 9.135 -10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.577 9.888 -9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.944 10.405 -12.385 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.718 11.559 -11.085 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.664 10.828 -12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.393 11.257 -11.039 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.593 6.219 -11.104 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.175 5.125 -11.873 1.00 0.00 C ATOM 1286 C VAL A 85 -12.662 5.355 -12.116 1.00 0.00 C ATOM 1287 O VAL A 85 -13.213 4.917 -13.127 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.986 3.774 -11.158 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.509 3.431 -11.046 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.641 3.802 -9.785 1.00 0.00 C ATOM 0 H VAL A 85 -10.485 6.024 -10.109 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.653 5.098 -12.830 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.470 2.998 -11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.395 2.473 -10.538 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.074 3.367 -12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.998 4.207 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.498 2.840 -9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.188 4.588 -9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.708 3.998 -9.895 1.00 0.00 H new ATOM 1300 N THR A 86 -13.309 6.047 -11.183 1.00 0.00 N ATOM 1301 CA THR A 86 -14.733 6.335 -11.295 1.00 0.00 C ATOM 1302 C THR A 86 -15.038 7.770 -10.880 1.00 0.00 C ATOM 1303 O THR A 86 -14.247 8.408 -10.184 1.00 0.00 O ATOM 1304 CB THR A 86 -15.571 5.374 -10.432 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.966 5.580 -10.682 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.279 5.581 -8.953 1.00 0.00 C ATOM 0 H THR A 86 -12.869 6.418 -10.341 1.00 0.00 H new ATOM 0 HA THR A 86 -15.001 6.197 -12.342 1.00 0.00 H new ATOM 0 HB THR A 86 -15.302 4.352 -10.700 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.492 4.964 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.882 4.891 -8.363 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.222 5.394 -8.761 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.523 6.606 -8.674 1.00 0.00 H new ATOM 1314 N THR A 87 -16.191 8.274 -11.310 1.00 0.00 N ATOM 1315 CA THR A 87 -16.600 9.634 -10.982 1.00 0.00 C ATOM 1316 C THR A 87 -17.387 9.672 -9.677 1.00 0.00 C ATOM 1317 O THR A 87 -18.286 8.861 -9.459 1.00 0.00 O ATOM 1318 CB THR A 87 -17.459 10.247 -12.104 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.489 9.330 -12.490 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.603 10.594 -13.313 1.00 0.00 C ATOM 0 H THR A 87 -16.858 7.760 -11.886 1.00 0.00 H new ATOM 0 HA THR A 87 -15.688 10.220 -10.870 1.00 0.00 H new ATOM 0 HB THR A 87 -17.912 11.163 -11.725 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.031 9.728 -13.202 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.232 11.025 -14.092 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.839 11.315 -13.023 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.125 9.691 -13.691 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.042 10.621 -8.811 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.726 10.747 -7.538 1.00 0.00 C ATOM 1330 C GLY A 88 -19.206 10.436 -7.642 1.00 0.00 C ATOM 1331 O GLY A 88 -19.713 9.555 -6.946 1.00 0.00 O ATOM 0 H GLY A 88 -16.301 11.304 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.266 10.074 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.597 11.760 -7.158 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.902 11.160 -8.511 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.333 10.958 -8.704 1.00 0.00 C ATOM 1337 C LYS A 89 -21.662 9.473 -8.819 1.00 0.00 C ATOM 1338 O LYS A 89 -22.495 8.955 -8.077 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.808 11.695 -9.958 1.00 0.00 C ATOM 1340 CG LYS A 89 -23.248 12.173 -9.874 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.903 12.212 -11.245 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.685 13.553 -11.929 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.759 13.854 -12.915 1.00 0.00 N ATOM 0 H LYS A 89 -19.498 11.893 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.852 11.361 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.159 12.553 -10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -21.703 11.035 -10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.814 11.512 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -23.277 13.167 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.496 11.415 -11.867 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -24.972 12.023 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.650 14.342 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.719 13.550 -12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.574 14.776 -13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.776 13.115 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.678 13.882 -12.429 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.001 8.795 -9.752 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.225 7.370 -9.962 1.00 0.00 C ATOM 1359 C GLU A 90 -20.878 6.574 -8.706 1.00 0.00 C ATOM 1360 O GLU A 90 -21.558 5.608 -8.364 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.391 6.869 -11.143 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.604 5.398 -11.458 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.931 5.134 -12.143 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.383 6.004 -12.916 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -22.518 4.058 -11.904 1.00 0.00 O ATOM 0 H GLU A 90 -20.307 9.209 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.282 7.223 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.635 7.460 -12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.336 7.037 -10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.794 5.046 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.555 4.822 -10.534 1.00 0.00 H new ATOM 1372 N MET A 91 -19.814 6.988 -8.026 1.00 0.00 N ATOM 1373 CA MET A 91 -19.377 6.315 -6.808 1.00 0.00 C ATOM 1374 C MET A 91 -20.532 6.169 -5.823 1.00 0.00 C ATOM 1375 O MET A 91 -20.657 5.148 -5.146 1.00 0.00 O ATOM 1376 CB MET A 91 -18.230 7.090 -6.156 1.00 0.00 C ATOM 1377 CG MET A 91 -17.456 6.279 -5.129 1.00 0.00 C ATOM 1378 SD MET A 91 -16.643 4.840 -5.851 1.00 0.00 S ATOM 1379 CE MET A 91 -16.993 3.596 -4.610 1.00 0.00 C ATOM 0 H MET A 91 -19.239 7.786 -8.297 1.00 0.00 H new ATOM 0 HA MET A 91 -19.026 5.319 -7.079 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.544 7.428 -6.932 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.632 7.982 -5.675 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.708 6.916 -4.658 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.136 5.951 -4.343 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.680 2.618 -4.976 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.450 3.832 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.063 3.580 -4.403 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.374 7.194 -5.748 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.520 7.178 -4.847 1.00 0.00 C ATOM 1391 C ALA A 92 -23.708 6.466 -5.484 1.00 0.00 C ATOM 1392 O ALA A 92 -24.461 5.767 -4.806 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.901 8.597 -4.453 1.00 0.00 C ATOM 0 H ALA A 92 -21.284 8.047 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.239 6.627 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.758 8.570 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.060 9.073 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.159 9.166 -5.346 1.00 0.00 H new ATOM 1399 N SER A 93 -23.871 6.648 -6.790 1.00 0.00 N ATOM 1400 CA SER A 93 -24.972 6.027 -7.517 1.00 0.00 C ATOM 1401 C SER A 93 -24.896 4.506 -7.422 1.00 0.00 C ATOM 1402 O SER A 93 -25.757 3.867 -6.820 1.00 0.00 O ATOM 1403 CB SER A 93 -24.950 6.459 -8.985 1.00 0.00 C ATOM 1404 OG SER A 93 -25.556 7.729 -9.152 1.00 0.00 O ATOM 0 H SER A 93 -23.255 7.221 -7.367 1.00 0.00 H new ATOM 0 HA SER A 93 -25.906 6.356 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.921 6.494 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.473 5.720 -9.593 1.00 0.00 H new ATOM 0 HG SER A 93 -25.528 7.983 -10.098 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.857 3.933 -8.022 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.666 2.488 -8.004 1.00 0.00 C ATOM 1412 C ALA A 94 -23.768 1.939 -6.585 1.00 0.00 C ATOM 1413 O ALA A 94 -23.013 2.339 -5.700 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.321 2.126 -8.617 1.00 0.00 C ATOM 0 H ALA A 94 -23.135 4.448 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.458 2.034 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.191 1.044 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.285 2.477 -9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.522 2.598 -8.045 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.707 1.021 -6.377 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.907 0.419 -5.065 1.00 0.00 C ATOM 1422 C GLN A 95 -23.668 -0.354 -4.625 1.00 0.00 C ATOM 1423 O GLN A 95 -23.207 -0.212 -3.493 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.121 -0.512 -5.088 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.032 -1.603 -6.142 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.234 -2.527 -6.129 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.233 -2.256 -5.462 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -27.143 -3.627 -6.868 1.00 0.00 N ATOM 0 H GLN A 95 -25.340 0.679 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.085 1.221 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.232 -0.974 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -27.019 0.080 -5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -25.941 -1.145 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.127 -2.188 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -26.296 -3.812 -7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -27.920 -4.287 -6.898 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.135 -1.171 -5.528 1.00 0.00 N ATOM 1438 CA GLU A 96 -21.950 -1.967 -5.232 1.00 0.00 C ATOM 1439 C GLU A 96 -20.950 -1.903 -6.383 1.00 0.00 C ATOM 1440 O GLU A 96 -21.121 -2.537 -7.424 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.340 -3.422 -4.961 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.253 -4.223 -4.264 1.00 0.00 C ATOM 1443 CD GLU A 96 -21.371 -5.713 -4.522 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.287 -6.343 -3.955 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -20.546 -6.248 -5.292 1.00 0.00 O ATOM 0 H GLU A 96 -23.505 -1.299 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.479 -1.553 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.242 -3.440 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.587 -3.906 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.277 -3.875 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.302 -4.039 -3.191 1.00 0.00 H new ATOM 1452 N PRO A 97 -19.879 -1.118 -6.192 1.00 0.00 N ATOM 1453 CA PRO A 97 -18.830 -0.951 -7.202 1.00 0.00 C ATOM 1454 C PRO A 97 -17.994 -2.213 -7.384 1.00 0.00 C ATOM 1455 O PRO A 97 -18.230 -3.226 -6.724 1.00 0.00 O ATOM 1456 CB PRO A 97 -17.970 0.183 -6.638 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.191 0.128 -5.165 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.610 -0.333 -4.976 1.00 0.00 C ATOM 0 HA PRO A 97 -19.244 -0.740 -8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.918 0.043 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.269 1.148 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.491 -0.560 -4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.035 1.106 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.720 -0.937 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.296 0.508 -4.881 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.017 -2.147 -8.282 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.145 -3.284 -8.549 1.00 0.00 C ATOM 1468 C ASP A 98 -15.029 -3.369 -7.512 1.00 0.00 C ATOM 1469 O ASP A 98 -14.052 -2.622 -7.573 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.547 -3.177 -9.952 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.550 -2.677 -10.972 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -16.663 -1.444 -11.139 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.222 -3.518 -11.605 1.00 0.00 O ATOM 0 H ASP A 98 -16.809 -1.317 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.744 -4.192 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.691 -2.503 -9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.175 -4.154 -10.261 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.182 -4.282 -6.559 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.188 -4.465 -5.508 1.00 0.00 C ATOM 1480 C LYS A 99 -12.781 -4.219 -6.041 1.00 0.00 C ATOM 1481 O LYS A 99 -11.978 -3.530 -5.409 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.285 -5.878 -4.926 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.172 -6.211 -3.949 1.00 0.00 C ATOM 1484 CD LYS A 99 -11.957 -6.781 -4.662 1.00 0.00 C ATOM 1485 CE LYS A 99 -11.003 -7.453 -3.686 1.00 0.00 C ATOM 1486 NZ LYS A 99 -9.944 -8.228 -4.390 1.00 0.00 N ATOM 0 H LYS A 99 -15.985 -4.907 -6.493 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.391 -3.739 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.245 -5.989 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.268 -6.600 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.886 -5.313 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.534 -6.930 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.279 -7.503 -5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.436 -5.983 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.539 -6.697 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.564 -8.118 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.315 -8.671 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.385 -8.966 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.392 -7.589 -4.997 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.487 -4.785 -7.206 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.176 -4.626 -7.825 1.00 0.00 C ATOM 1502 C LEU A 100 -10.898 -3.160 -8.143 1.00 0.00 C ATOM 1503 O LEU A 100 -10.023 -2.539 -7.540 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.089 -5.462 -9.103 1.00 0.00 C ATOM 1505 CG LEU A 100 -10.605 -6.903 -8.931 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -11.771 -7.822 -8.602 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -9.887 -7.378 -10.186 1.00 0.00 C ATOM 0 H LEU A 100 -13.139 -5.358 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.423 -4.974 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.075 -5.484 -9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.420 -4.956 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.900 -6.932 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.408 -8.843 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.242 -7.494 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.500 -7.788 -9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.550 -8.405 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.570 -7.333 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.027 -6.737 -10.378 1.00 0.00 H new ATOM 1519 N SER A 101 -11.651 -2.613 -9.092 1.00 0.00 N ATOM 1520 CA SER A 101 -11.485 -1.221 -9.491 1.00 0.00 C ATOM 1521 C SER A 101 -11.209 -0.337 -8.279 1.00 0.00 C ATOM 1522 O SER A 101 -10.398 0.586 -8.341 1.00 0.00 O ATOM 1523 CB SER A 101 -12.733 -0.726 -10.224 1.00 0.00 C ATOM 1524 OG SER A 101 -12.452 0.437 -10.984 1.00 0.00 O ATOM 0 H SER A 101 -12.382 -3.113 -9.599 1.00 0.00 H new ATOM 0 HA SER A 101 -10.630 -1.162 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.108 -1.511 -10.881 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.521 -0.511 -9.502 1.00 0.00 H new ATOM 0 HG SER A 101 -13.266 0.732 -11.444 1.00 0.00 H new ATOM 1530 N MET A 102 -11.891 -0.628 -7.176 1.00 0.00 N ATOM 1531 CA MET A 102 -11.719 0.139 -5.947 1.00 0.00 C ATOM 1532 C MET A 102 -10.356 -0.136 -5.320 1.00 0.00 C ATOM 1533 O MET A 102 -9.560 0.780 -5.113 1.00 0.00 O ATOM 1534 CB MET A 102 -12.829 -0.199 -4.950 1.00 0.00 C ATOM 1535 CG MET A 102 -14.064 0.676 -5.096 1.00 0.00 C ATOM 1536 SD MET A 102 -13.696 2.432 -4.916 1.00 0.00 S ATOM 1537 CE MET A 102 -12.803 2.434 -3.363 1.00 0.00 C ATOM 0 H MET A 102 -12.567 -1.389 -7.108 1.00 0.00 H new ATOM 0 HA MET A 102 -11.776 1.198 -6.199 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.116 -1.243 -5.078 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.440 -0.098 -3.937 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.515 0.501 -6.073 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.801 0.385 -4.348 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.755 3.450 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.318 1.794 -2.647 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.792 2.059 -3.524 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.093 -1.404 -5.020 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.825 -1.800 -4.418 1.00 0.00 C ATOM 1549 C VAL A 103 -7.645 -1.300 -5.243 1.00 0.00 C ATOM 1550 O VAL A 103 -6.777 -0.589 -4.736 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.726 -3.330 -4.274 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.334 -3.733 -3.810 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.787 -3.845 -3.314 1.00 0.00 C ATOM 0 H VAL A 103 -10.741 -2.175 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.789 -1.347 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.903 -3.782 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.282 -4.818 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.596 -3.398 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.125 -3.273 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.702 -4.928 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.645 -3.388 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.776 -3.589 -3.694 1.00 0.00 H new ATOM 1563 N MET A 104 -7.619 -1.675 -6.517 1.00 0.00 N ATOM 1564 CA MET A 104 -6.546 -1.263 -7.414 1.00 0.00 C ATOM 1565 C MET A 104 -6.267 0.230 -7.278 1.00 0.00 C ATOM 1566 O MET A 104 -5.131 0.677 -7.440 1.00 0.00 O ATOM 1567 CB MET A 104 -6.906 -1.597 -8.863 1.00 0.00 C ATOM 1568 CG MET A 104 -8.095 -0.811 -9.390 1.00 0.00 C ATOM 1569 SD MET A 104 -8.184 -0.811 -11.191 1.00 0.00 S ATOM 1570 CE MET A 104 -8.602 -2.524 -11.509 1.00 0.00 C ATOM 0 H MET A 104 -8.329 -2.264 -6.952 1.00 0.00 H new ATOM 0 HA MET A 104 -5.645 -1.810 -7.137 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.042 -1.402 -9.498 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.123 -2.663 -8.939 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.014 -1.234 -8.985 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.033 0.217 -9.033 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.206 -2.589 -12.414 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.688 -3.103 -11.640 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.166 -2.923 -10.666 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.310 0.997 -6.981 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.178 2.441 -6.827 1.00 0.00 C ATOM 1582 C TYR A 105 -6.682 2.796 -5.428 1.00 0.00 C ATOM 1583 O TYR A 105 -5.784 3.624 -5.267 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.518 3.129 -7.094 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.453 4.637 -7.007 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.038 5.398 -8.094 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.805 5.301 -5.838 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.977 6.776 -8.018 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.747 6.678 -5.755 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.333 7.411 -6.847 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.273 8.784 -6.767 1.00 0.00 O ATOM 0 H TYR A 105 -8.256 0.643 -6.842 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.446 2.793 -7.554 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.871 2.846 -8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.254 2.764 -6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.759 4.904 -9.013 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.129 4.730 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.652 7.353 -8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.025 7.179 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.436 9.171 -7.653 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.272 2.164 -4.420 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.891 2.411 -3.034 1.00 0.00 C ATOM 1603 C LEU A 106 -5.420 2.081 -2.807 1.00 0.00 C ATOM 1604 O LEU A 106 -4.662 2.903 -2.291 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.763 1.582 -2.089 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.223 2.021 -1.964 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -10.051 0.936 -1.294 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.322 3.327 -1.188 1.00 0.00 C ATOM 0 H LEU A 106 -8.016 1.476 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.044 3.470 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.744 0.545 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.312 1.604 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.621 2.186 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.087 1.266 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.006 0.024 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.655 0.739 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.368 3.625 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.907 3.189 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.762 4.103 -1.710 1.00 0.00 H new ATOM 1620 N SER A 107 -5.022 0.875 -3.197 1.00 0.00 N ATOM 1621 CA SER A 107 -3.641 0.436 -3.034 1.00 0.00 C ATOM 1622 C SER A 107 -2.670 1.575 -3.329 1.00 0.00 C ATOM 1623 O SER A 107 -1.775 1.866 -2.535 1.00 0.00 O ATOM 1624 CB SER A 107 -3.348 -0.750 -3.956 1.00 0.00 C ATOM 1625 OG SER A 107 -3.623 -0.425 -5.308 1.00 0.00 O ATOM 0 H SER A 107 -5.636 0.184 -3.628 1.00 0.00 H new ATOM 0 HA SER A 107 -3.505 0.125 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.303 -1.044 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.951 -1.607 -3.655 1.00 0.00 H new ATOM 0 HG SER A 107 -3.427 -1.198 -5.877 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.854 2.218 -4.477 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.997 3.327 -4.879 1.00 0.00 C ATOM 1633 C LYS A 108 -1.635 4.198 -3.680 1.00 0.00 C ATOM 1634 O LYS A 108 -0.473 4.554 -3.487 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.692 4.174 -5.947 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.858 3.460 -7.277 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.328 4.411 -8.366 1.00 0.00 C ATOM 1638 CE LYS A 108 -3.501 3.693 -9.696 1.00 0.00 C ATOM 1639 NZ LYS A 108 -3.686 4.649 -10.822 1.00 0.00 N ATOM 0 H LYS A 108 -3.590 1.990 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.079 2.912 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.674 4.473 -5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.119 5.088 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.910 3.010 -7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.576 2.647 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.274 4.865 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.607 5.221 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.628 3.070 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.362 3.027 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.800 4.121 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.534 5.227 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.853 5.268 -10.892 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.638 4.536 -2.876 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.426 5.365 -1.696 1.00 0.00 C ATOM 1655 C PHE A 109 -1.725 4.573 -0.595 1.00 0.00 C ATOM 1656 O PHE A 109 -0.742 5.034 -0.014 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.760 5.906 -1.179 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.425 6.864 -2.126 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.849 8.092 -2.408 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.626 6.536 -2.734 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.458 8.976 -3.280 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.240 7.415 -3.606 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.656 8.637 -3.879 1.00 0.00 C ATOM 0 H PHE A 109 -3.606 4.248 -3.021 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.789 6.202 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.433 5.070 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.595 6.406 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.913 8.362 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.088 5.582 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.998 9.930 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.176 7.147 -4.074 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.135 9.326 -4.559 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.239 3.381 -0.313 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.665 2.526 0.719 1.00 0.00 C ATOM 1675 C TYR A 110 -0.141 2.567 0.676 1.00 0.00 C ATOM 1676 O TYR A 110 0.508 2.949 1.649 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.154 1.087 0.548 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.355 0.078 1.343 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.596 -0.116 2.697 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.359 -0.679 0.740 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.869 -1.036 3.428 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.372 -1.603 1.462 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.114 -1.777 2.805 1.00 0.00 C ATOM 1684 OH TYR A 110 0.841 -2.695 3.528 1.00 0.00 O ATOM 0 H TYR A 110 -3.052 2.985 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.992 2.901 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.200 1.029 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.112 0.821 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.365 0.462 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.152 -0.543 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.069 -1.174 4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.141 -2.186 0.977 1.00 0.00 H new ATOM 0 HH TYR A 110 1.492 -3.133 2.940 1.00 0.00 H new ATOM 1694 N GLU A 111 0.423 2.170 -0.461 1.00 0.00 N ATOM 1695 CA GLU A 111 1.871 2.161 -0.632 1.00 0.00 C ATOM 1696 C GLU A 111 2.447 3.565 -0.471 1.00 0.00 C ATOM 1697 O GLU A 111 3.410 3.772 0.267 1.00 0.00 O ATOM 1698 CB GLU A 111 2.240 1.601 -2.008 1.00 0.00 C ATOM 1699 CG GLU A 111 1.918 0.125 -2.170 1.00 0.00 C ATOM 1700 CD GLU A 111 2.781 -0.549 -3.220 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.474 -0.403 -4.422 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.762 -1.220 -2.840 1.00 0.00 O ATOM 0 H GLU A 111 -0.100 1.851 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 111 2.299 1.521 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.710 2.166 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.306 1.753 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.055 -0.380 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.868 0.014 -2.442 1.00 0.00 H new ATOM 1709 N LEU A 112 1.850 4.526 -1.168 1.00 0.00 N ATOM 1710 CA LEU A 112 2.303 5.911 -1.103 1.00 0.00 C ATOM 1711 C LEU A 112 2.538 6.340 0.341 1.00 0.00 C ATOM 1712 O LEU A 112 3.637 6.763 0.703 1.00 0.00 O ATOM 1713 CB LEU A 112 1.277 6.835 -1.761 1.00 0.00 C ATOM 1714 CG LEU A 112 1.468 8.332 -1.517 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.696 8.842 -2.255 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.228 9.104 -1.944 1.00 0.00 C ATOM 0 H LEU A 112 1.052 4.372 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 112 3.247 5.984 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.295 6.657 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.285 6.553 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 112 1.621 8.490 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.815 9.909 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.580 8.311 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.575 8.671 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.382 10.168 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.044 8.939 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.631 8.759 -1.369 1.00 0.00 H new ATOM 1728 N PHE A 113 1.500 6.227 1.163 1.00 0.00 N ATOM 1729 CA PHE A 113 1.594 6.602 2.569 1.00 0.00 C ATOM 1730 C PHE A 113 2.521 5.654 3.325 1.00 0.00 C ATOM 1731 O PHE A 113 3.446 6.089 4.011 1.00 0.00 O ATOM 1732 CB PHE A 113 0.206 6.598 3.214 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.610 7.815 2.887 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.200 9.072 3.301 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.788 7.703 2.166 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.950 10.194 3.002 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.542 8.821 1.864 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.122 10.069 2.282 1.00 0.00 C ATOM 0 H PHE A 113 0.584 5.879 0.880 1.00 0.00 H new ATOM 0 HA PHE A 113 2.010 7.608 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.335 5.709 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.317 6.525 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.716 9.176 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.121 6.730 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.620 11.168 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.459 8.719 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.709 10.945 2.046 1.00 0.00 H new ATOM 1748 N ARG A 114 2.265 4.357 3.194 1.00 0.00 N ATOM 1749 CA ARG A 114 3.075 3.347 3.865 1.00 0.00 C ATOM 1750 C ARG A 114 4.534 3.784 3.943 1.00 0.00 C ATOM 1751 O ARG A 114 5.147 3.751 5.010 1.00 0.00 O ATOM 1752 CB ARG A 114 2.971 2.009 3.130 1.00 0.00 C ATOM 1753 CG ARG A 114 3.489 0.830 3.937 1.00 0.00 C ATOM 1754 CD ARG A 114 2.540 0.468 5.068 1.00 0.00 C ATOM 1755 NE ARG A 114 2.888 -0.807 5.689 1.00 0.00 N ATOM 1756 CZ ARG A 114 2.532 -1.146 6.923 1.00 0.00 C ATOM 1757 NH1 ARG A 114 1.822 -0.307 7.665 1.00 0.00 N ATOM 1758 NH2 ARG A 114 2.887 -2.325 7.417 1.00 0.00 N ATOM 0 H ARG A 114 1.503 3.980 2.630 1.00 0.00 H new ATOM 0 HA ARG A 114 2.695 3.228 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.929 1.829 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.529 2.073 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.621 -0.031 3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.470 1.071 4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.558 1.255 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.521 0.418 4.684 1.00 0.00 H new ATOM 0 HE ARG A 114 3.435 -1.474 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.548 0.601 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.550 -0.569 8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.434 -2.972 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.613 -2.584 8.365 1.00 0.00 H new