USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 88 ASN : amide:sc= 3.35 K(o=4.2,f=-3.9!) USER MOD Set 1.2: A 90 THR OG1 : rot -26:sc= 0.897 USER MOD Single : A 14 MET CE :methyl -174:sc= -1.15 (180deg=-1.18) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -44:sc= 0.0135 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 21:sc= 0.0684 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 99:sc= -2.95 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.407 K(o=-0.41,f=-0.93) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.818) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -150:sc= 0.244 USER MOD Single : A 51 SER OG : rot 52:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0464) USER MOD Single : A 61 ASN : amide:sc= 0.735 K(o=0.73,f=-0.96) USER MOD Single : A 62 THR OG1 : rot -41:sc= 0.242 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 1.1 (180deg=0.866) USER MOD Single : A 72 TYR OH : rot 23:sc= 1.33 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= 2.51 (180deg=2.34) USER MOD Single : A 86 ASN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0858 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -16:sc= 0.434 USER MOD Single : A 99 CYS SG : rot 180:sc=-0.00233 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 110 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0.931) USER MOD Single : A 113 GLN : amide:sc= 1.17 K(o=1.2,f=-3.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -2.361 12.234 0.317 1.00 22.22 N ATOM 165 CA MET A 14 -1.447 11.994 1.424 1.00 54.20 C ATOM 166 C MET A 14 -0.020 12.161 0.898 1.00 51.30 C ATOM 167 O MET A 14 0.313 11.637 -0.166 1.00 22.45 O ATOM 168 CB MET A 14 -1.664 10.597 2.023 1.00 65.40 C ATOM 169 CG MET A 14 -3.133 10.318 2.378 1.00 12.01 C ATOM 170 SD MET A 14 -3.487 8.676 3.064 1.00 10.34 S ATOM 171 CE MET A 14 -2.332 8.623 4.454 1.00 61.13 C ATOM 0 HA MET A 14 -1.631 12.708 2.227 1.00 54.20 H new ATOM 0 HB2 MET A 14 -1.318 9.846 1.313 1.00 65.40 H new ATOM 0 HB3 MET A 14 -1.053 10.493 2.920 1.00 65.40 H new ATOM 0 HG2 MET A 14 -3.461 11.069 3.097 1.00 12.01 H new ATOM 0 HG3 MET A 14 -3.735 10.452 1.479 1.00 12.01 H new ATOM 0 HE1 MET A 14 -2.356 7.633 4.909 1.00 61.13 H new ATOM 0 HE2 MET A 14 -1.324 8.834 4.098 1.00 61.13 H new ATOM 0 HE3 MET A 14 -2.619 9.370 5.194 1.00 61.13 H new ATOM 181 N LYS A 15 0.831 12.896 1.625 1.00 65.34 N ATOM 182 CA LYS A 15 2.236 13.091 1.236 1.00 22.15 C ATOM 183 C LYS A 15 3.160 12.283 2.143 1.00 50.34 C ATOM 184 O LYS A 15 2.848 12.075 3.322 1.00 34.43 O ATOM 185 CB LYS A 15 2.589 14.584 1.232 1.00 65.23 C ATOM 186 CG LYS A 15 1.764 15.338 0.179 1.00 23.54 C ATOM 187 CD LYS A 15 2.211 16.790 0.006 1.00 50.01 C ATOM 188 CE LYS A 15 1.948 17.641 1.250 1.00 65.22 C ATOM 189 NZ LYS A 15 1.775 19.065 0.908 1.00 65.51 N ATOM 0 H LYS A 15 0.570 13.368 2.491 1.00 65.34 H new ATOM 0 HA LYS A 15 2.378 12.722 0.220 1.00 22.15 H new ATOM 0 HB2 LYS A 15 2.403 15.009 2.218 1.00 65.23 H new ATOM 0 HB3 LYS A 15 3.652 14.710 1.026 1.00 65.23 H new ATOM 0 HG2 LYS A 15 1.844 14.821 -0.777 1.00 23.54 H new ATOM 0 HG3 LYS A 15 0.712 15.318 0.465 1.00 23.54 H new ATOM 0 HD2 LYS A 15 3.276 16.813 -0.226 1.00 50.01 H new ATOM 0 HD3 LYS A 15 1.689 17.227 -0.845 1.00 50.01 H new ATOM 0 HE2 LYS A 15 1.055 17.277 1.758 1.00 65.22 H new ATOM 0 HE3 LYS A 15 2.778 17.532 1.948 1.00 65.22 H new ATOM 0 HZ1 LYS A 15 1.599 19.611 1.775 1.00 65.51 H new ATOM 0 HZ2 LYS A 15 2.637 19.418 0.446 1.00 65.51 H new ATOM 0 HZ3 LYS A 15 0.967 19.171 0.262 1.00 65.51 H new ATOM 203 N TRP A 16 4.298 11.834 1.622 1.00 43.42 N ATOM 204 CA TRP A 16 5.111 10.801 2.237 1.00 14.21 C ATOM 205 C TRP A 16 6.569 11.234 2.179 1.00 64.32 C ATOM 206 O TRP A 16 7.103 11.517 1.108 1.00 62.21 O ATOM 207 CB TRP A 16 4.869 9.467 1.522 1.00 74.31 C ATOM 208 CG TRP A 16 3.434 9.031 1.443 1.00 45.23 C ATOM 209 CD1 TRP A 16 2.573 9.374 0.460 1.00 24.41 C ATOM 210 CD2 TRP A 16 2.681 8.152 2.332 1.00 63.52 C ATOM 211 NE1 TRP A 16 1.346 8.793 0.688 1.00 45.44 N ATOM 212 CE2 TRP A 16 1.353 8.023 1.828 1.00 71.51 C ATOM 213 CE3 TRP A 16 2.994 7.423 3.497 1.00 61.12 C ATOM 214 CZ2 TRP A 16 0.386 7.220 2.452 1.00 64.11 C ATOM 215 CZ3 TRP A 16 2.039 6.593 4.116 1.00 45.41 C ATOM 216 CH2 TRP A 16 0.733 6.500 3.606 1.00 21.11 C ATOM 0 H TRP A 16 4.684 12.186 0.746 1.00 43.42 H new ATOM 0 HA TRP A 16 4.841 10.659 3.283 1.00 14.21 H new ATOM 0 HB2 TRP A 16 5.266 9.540 0.509 1.00 74.31 H new ATOM 0 HB3 TRP A 16 5.439 8.691 2.033 1.00 74.31 H new ATOM 0 HD1 TRP A 16 2.812 10.010 -0.380 1.00 24.41 H new ATOM 0 HE1 TRP A 16 0.532 8.918 0.086 1.00 45.44 H new ATOM 0 HE3 TRP A 16 3.983 7.502 3.923 1.00 61.12 H new ATOM 0 HZ2 TRP A 16 -0.614 7.157 2.049 1.00 64.11 H new ATOM 0 HZ3 TRP A 16 2.313 6.023 4.991 1.00 45.41 H new ATOM 0 HH2 TRP A 16 0.000 5.878 4.099 1.00 21.11 H new ATOM 227 N SER A 17 7.234 11.310 3.330 1.00 1.13 N ATOM 228 CA SER A 17 8.624 11.753 3.419 1.00 64.14 C ATOM 229 C SER A 17 9.606 10.573 3.443 1.00 10.35 C ATOM 230 O SER A 17 10.778 10.778 3.747 1.00 43.21 O ATOM 231 CB SER A 17 8.746 12.665 4.640 1.00 34.34 C ATOM 232 OG SER A 17 9.849 13.541 4.585 1.00 21.11 O ATOM 0 H SER A 17 6.822 11.065 4.231 1.00 1.13 H new ATOM 0 HA SER A 17 8.898 12.316 2.527 1.00 64.14 H new ATOM 0 HB2 SER A 17 7.832 13.251 4.737 1.00 34.34 H new ATOM 0 HB3 SER A 17 8.827 12.049 5.536 1.00 34.34 H new ATOM 0 HG SER A 17 10.640 13.052 4.277 1.00 21.11 H new ATOM 238 N LYS A 18 9.149 9.345 3.179 1.00 30.21 N ATOM 239 CA LYS A 18 9.951 8.126 3.102 1.00 12.42 C ATOM 240 C LYS A 18 9.144 7.178 2.217 1.00 72.14 C ATOM 241 O LYS A 18 8.023 6.859 2.617 1.00 54.40 O ATOM 242 CB LYS A 18 10.139 7.553 4.523 1.00 1.31 C ATOM 243 CG LYS A 18 11.540 6.982 4.721 1.00 5.41 C ATOM 244 CD LYS A 18 12.571 8.094 4.953 1.00 61.54 C ATOM 245 CE LYS A 18 13.878 7.853 4.211 1.00 21.31 C ATOM 246 NZ LYS A 18 14.615 6.688 4.743 1.00 2.43 N ATOM 0 H LYS A 18 8.160 9.168 3.005 1.00 30.21 H new ATOM 0 HA LYS A 18 10.947 8.290 2.691 1.00 12.42 H new ATOM 0 HB2 LYS A 18 9.958 8.337 5.258 1.00 1.31 H new ATOM 0 HB3 LYS A 18 9.399 6.772 4.701 1.00 1.31 H new ATOM 0 HG2 LYS A 18 11.540 6.301 5.572 1.00 5.41 H new ATOM 0 HG3 LYS A 18 11.823 6.398 3.845 1.00 5.41 H new ATOM 0 HD2 LYS A 18 12.148 9.047 4.634 1.00 61.54 H new ATOM 0 HD3 LYS A 18 12.775 8.177 6.021 1.00 61.54 H new ATOM 0 HE2 LYS A 18 13.669 7.696 3.153 1.00 21.31 H new ATOM 0 HE3 LYS A 18 14.505 8.742 4.284 1.00 21.31 H new ATOM 0 HZ1 LYS A 18 15.498 6.562 4.208 1.00 2.43 H new ATOM 0 HZ2 LYS A 18 14.838 6.847 5.746 1.00 2.43 H new ATOM 0 HZ3 LYS A 18 14.029 5.834 4.650 1.00 2.43 H new ATOM 260 N VAL A 19 9.644 6.783 1.043 1.00 43.23 N ATOM 261 CA VAL A 19 8.989 5.848 0.115 1.00 72.54 C ATOM 262 C VAL A 19 10.060 4.957 -0.545 1.00 65.44 C ATOM 263 O VAL A 19 11.218 5.387 -0.648 1.00 11.32 O ATOM 264 CB VAL A 19 8.144 6.610 -0.941 1.00 12.13 C ATOM 265 CG1 VAL A 19 7.019 7.434 -0.301 1.00 2.03 C ATOM 266 CG2 VAL A 19 8.966 7.559 -1.830 1.00 61.32 C ATOM 0 H VAL A 19 10.545 7.114 0.698 1.00 43.23 H new ATOM 0 HA VAL A 19 8.298 5.212 0.669 1.00 72.54 H new ATOM 0 HB VAL A 19 7.730 5.816 -1.563 1.00 12.13 H new ATOM 0 HG11 VAL A 19 6.456 7.948 -1.080 1.00 2.03 H new ATOM 0 HG12 VAL A 19 6.352 6.772 0.251 1.00 2.03 H new ATOM 0 HG13 VAL A 19 7.448 8.168 0.381 1.00 2.03 H new ATOM 0 HG21 VAL A 19 8.305 8.054 -2.542 1.00 61.32 H new ATOM 0 HG22 VAL A 19 9.456 8.308 -1.207 1.00 61.32 H new ATOM 0 HG23 VAL A 19 9.720 6.988 -2.372 1.00 61.32 H new ATOM 276 N PRO A 20 9.728 3.721 -0.958 1.00 30.32 N ATOM 277 CA PRO A 20 10.668 2.770 -1.551 1.00 30.12 C ATOM 278 C PRO A 20 10.916 3.059 -3.037 1.00 5.35 C ATOM 279 O PRO A 20 10.059 3.612 -3.722 1.00 64.10 O ATOM 280 CB PRO A 20 10.000 1.404 -1.382 1.00 3.05 C ATOM 281 CG PRO A 20 8.515 1.744 -1.442 1.00 43.00 C ATOM 282 CD PRO A 20 8.428 3.102 -0.774 1.00 70.51 C ATOM 0 HA PRO A 20 11.644 2.828 -1.069 1.00 30.12 H new ATOM 0 HB2 PRO A 20 10.289 0.712 -2.173 1.00 3.05 H new ATOM 0 HB3 PRO A 20 10.270 0.936 -0.435 1.00 3.05 H new ATOM 0 HG2 PRO A 20 8.154 1.780 -2.470 1.00 43.00 H new ATOM 0 HG3 PRO A 20 7.913 1.001 -0.918 1.00 43.00 H new ATOM 0 HD2 PRO A 20 7.640 3.708 -1.222 1.00 70.51 H new ATOM 0 HD3 PRO A 20 8.190 3.002 0.285 1.00 70.51 H new ATOM 290 N SER A 21 12.047 2.591 -3.570 1.00 22.25 N ATOM 291 CA SER A 21 12.446 2.808 -4.958 1.00 65.20 C ATOM 292 C SER A 21 11.607 1.958 -5.930 1.00 23.13 C ATOM 293 O SER A 21 11.588 2.231 -7.131 1.00 62.51 O ATOM 294 CB SER A 21 13.952 2.501 -5.066 1.00 31.14 C ATOM 295 OG SER A 21 14.585 3.161 -6.150 1.00 32.42 O ATOM 0 H SER A 21 12.721 2.041 -3.038 1.00 22.25 H new ATOM 0 HA SER A 21 12.263 3.844 -5.245 1.00 65.20 H new ATOM 0 HB2 SER A 21 14.442 2.792 -4.137 1.00 31.14 H new ATOM 0 HB3 SER A 21 14.089 1.425 -5.175 1.00 31.14 H new ATOM 0 HG SER A 21 15.537 2.928 -6.164 1.00 32.42 H new ATOM 301 N GLY A 22 10.911 0.922 -5.443 1.00 22.34 N ATOM 302 CA GLY A 22 9.966 0.140 -6.237 1.00 45.01 C ATOM 303 C GLY A 22 8.776 0.977 -6.705 1.00 22.33 C ATOM 304 O GLY A 22 8.215 0.691 -7.762 1.00 72.43 O ATOM 0 H GLY A 22 10.992 0.604 -4.477 1.00 22.34 H new ATOM 0 HA2 GLY A 22 10.479 -0.276 -7.104 1.00 45.01 H new ATOM 0 HA3 GLY A 22 9.606 -0.702 -5.645 1.00 45.01 H new ATOM 308 N LEU A 23 8.396 2.004 -5.934 1.00 50.33 N ATOM 309 CA LEU A 23 7.321 2.930 -6.272 1.00 34.52 C ATOM 310 C LEU A 23 7.614 3.645 -7.587 1.00 73.52 C ATOM 311 O LEU A 23 8.595 4.382 -7.708 1.00 21.21 O ATOM 312 CB LEU A 23 7.078 3.920 -5.123 1.00 13.43 C ATOM 313 CG LEU A 23 5.854 4.826 -5.398 1.00 5.34 C ATOM 314 CD1 LEU A 23 4.967 4.923 -4.157 1.00 51.32 C ATOM 315 CD2 LEU A 23 6.268 6.242 -5.819 1.00 51.22 C ATOM 0 H LEU A 23 8.840 2.214 -5.040 1.00 50.33 H new ATOM 0 HA LEU A 23 6.403 2.360 -6.412 1.00 34.52 H new ATOM 0 HB2 LEU A 23 6.922 3.370 -4.195 1.00 13.43 H new ATOM 0 HB3 LEU A 23 7.964 4.539 -4.982 1.00 13.43 H new ATOM 0 HG LEU A 23 5.303 4.366 -6.218 1.00 5.34 H new ATOM 0 HD11 LEU A 23 4.112 5.564 -4.370 1.00 51.32 H new ATOM 0 HD12 LEU A 23 4.615 3.928 -3.882 1.00 51.32 H new ATOM 0 HD13 LEU A 23 5.541 5.346 -3.332 1.00 51.32 H new ATOM 0 HD21 LEU A 23 5.377 6.842 -6.002 1.00 51.22 H new ATOM 0 HD22 LEU A 23 6.858 6.700 -5.025 1.00 51.22 H new ATOM 0 HD23 LEU A 23 6.864 6.191 -6.730 1.00 51.22 H new ATOM 327 N LYS A 24 6.726 3.459 -8.557 1.00 10.45 N ATOM 328 CA LYS A 24 6.694 4.145 -9.838 1.00 23.15 C ATOM 329 C LYS A 24 5.232 4.378 -10.135 1.00 30.44 C ATOM 330 O LYS A 24 4.509 3.423 -10.401 1.00 71.42 O ATOM 331 CB LYS A 24 7.359 3.291 -10.937 1.00 25.23 C ATOM 332 CG LYS A 24 8.631 3.929 -11.507 1.00 33.45 C ATOM 333 CD LYS A 24 8.370 4.697 -12.807 1.00 71.50 C ATOM 334 CE LYS A 24 9.650 5.374 -13.315 1.00 10.45 C ATOM 335 NZ LYS A 24 9.964 6.597 -12.545 1.00 62.14 N ATOM 0 H LYS A 24 5.966 2.785 -8.462 1.00 10.45 H new ATOM 0 HA LYS A 24 7.249 5.083 -9.808 1.00 23.15 H new ATOM 0 HB2 LYS A 24 7.603 2.310 -10.529 1.00 25.23 H new ATOM 0 HB3 LYS A 24 6.646 3.131 -11.746 1.00 25.23 H new ATOM 0 HG2 LYS A 24 9.056 4.607 -10.767 1.00 33.45 H new ATOM 0 HG3 LYS A 24 9.373 3.152 -11.691 1.00 33.45 H new ATOM 0 HD2 LYS A 24 7.990 4.014 -13.567 1.00 71.50 H new ATOM 0 HD3 LYS A 24 7.599 5.449 -12.640 1.00 71.50 H new ATOM 0 HE2 LYS A 24 10.484 4.675 -13.245 1.00 10.45 H new ATOM 0 HE3 LYS A 24 9.534 5.627 -14.369 1.00 10.45 H new ATOM 0 HZ1 LYS A 24 10.835 7.027 -12.917 1.00 62.14 H new ATOM 0 HZ2 LYS A 24 9.179 7.274 -12.633 1.00 62.14 H new ATOM 0 HZ3 LYS A 24 10.099 6.352 -11.543 1.00 62.14 H new ATOM 349 N ASN A 25 4.793 5.634 -10.069 1.00 62.10 N ATOM 350 CA ASN A 25 3.449 6.037 -10.468 1.00 53.04 C ATOM 351 C ASN A 25 2.385 5.219 -9.718 1.00 12.03 C ATOM 352 O ASN A 25 1.436 4.708 -10.308 1.00 61.41 O ATOM 353 CB ASN A 25 3.355 5.940 -12.003 1.00 64.31 C ATOM 354 CG ASN A 25 2.295 6.852 -12.594 1.00 42.33 C ATOM 355 OD1 ASN A 25 1.380 7.317 -11.922 1.00 33.34 O ATOM 356 ND2 ASN A 25 2.405 7.174 -13.868 1.00 72.33 N ATOM 0 H ASN A 25 5.368 6.407 -9.733 1.00 62.10 H new ATOM 0 HA ASN A 25 3.249 7.072 -10.189 1.00 53.04 H new ATOM 0 HB2 ASN A 25 4.323 6.190 -12.437 1.00 64.31 H new ATOM 0 HB3 ASN A 25 3.136 4.910 -12.283 1.00 64.31 H new ATOM 0 HD21 ASN A 25 1.730 7.809 -14.294 1.00 72.33 H new ATOM 0 HD22 ASN A 25 3.165 6.788 -14.428 1.00 72.33 H new ATOM 363 N GLY A 26 2.606 5.029 -8.411 1.00 42.30 N ATOM 364 CA GLY A 26 1.738 4.286 -7.503 1.00 25.35 C ATOM 365 C GLY A 26 1.905 2.766 -7.587 1.00 4.13 C ATOM 366 O GLY A 26 1.463 2.053 -6.684 1.00 22.45 O ATOM 0 H GLY A 26 3.430 5.406 -7.943 1.00 42.30 H new ATOM 0 HA2 GLY A 26 1.938 4.607 -6.481 1.00 25.35 H new ATOM 0 HA3 GLY A 26 0.700 4.540 -7.719 1.00 25.35 H new ATOM 370 N GLU A 27 2.568 2.245 -8.621 1.00 64.41 N ATOM 371 CA GLU A 27 2.795 0.824 -8.779 1.00 50.23 C ATOM 372 C GLU A 27 4.119 0.435 -8.125 1.00 3.25 C ATOM 373 O GLU A 27 5.060 1.230 -8.092 1.00 33.14 O ATOM 374 CB GLU A 27 2.760 0.432 -10.267 1.00 73.54 C ATOM 375 CG GLU A 27 2.132 -0.959 -10.345 1.00 72.34 C ATOM 376 CD GLU A 27 2.217 -1.643 -11.697 1.00 23.13 C ATOM 377 OE1 GLU A 27 3.318 -2.126 -12.045 1.00 73.20 O ATOM 378 OE2 GLU A 27 1.159 -1.765 -12.359 1.00 64.12 O ATOM 0 H GLU A 27 2.962 2.810 -9.374 1.00 64.41 H new ATOM 0 HA GLU A 27 1.996 0.275 -8.280 1.00 50.23 H new ATOM 0 HB2 GLU A 27 2.177 1.152 -10.842 1.00 73.54 H new ATOM 0 HB3 GLU A 27 3.765 0.426 -10.689 1.00 73.54 H new ATOM 0 HG2 GLU A 27 2.614 -1.597 -9.604 1.00 72.34 H new ATOM 0 HG3 GLU A 27 1.082 -0.880 -10.063 1.00 72.34 H new ATOM 385 N LEU A 28 4.212 -0.797 -7.622 1.00 33.33 N ATOM 386 CA LEU A 28 5.404 -1.341 -6.984 1.00 2.33 C ATOM 387 C LEU A 28 5.667 -2.735 -7.519 1.00 70.44 C ATOM 388 O LEU A 28 4.855 -3.631 -7.286 1.00 3.11 O ATOM 389 CB LEU A 28 5.270 -1.378 -5.452 1.00 13.32 C ATOM 390 CG LEU A 28 5.512 -0.004 -4.803 1.00 22.21 C ATOM 391 CD1 LEU A 28 4.237 0.837 -4.677 1.00 10.14 C ATOM 392 CD2 LEU A 28 6.133 -0.160 -3.419 1.00 5.04 C ATOM 0 H LEU A 28 3.437 -1.459 -7.650 1.00 33.33 H new ATOM 0 HA LEU A 28 6.243 -0.687 -7.220 1.00 2.33 H new ATOM 0 HB2 LEU A 28 4.273 -1.730 -5.187 1.00 13.32 H new ATOM 0 HB3 LEU A 28 5.981 -2.098 -5.046 1.00 13.32 H new ATOM 0 HG LEU A 28 6.196 0.521 -5.470 1.00 22.21 H new ATOM 0 HD11 LEU A 28 4.476 1.793 -4.212 1.00 10.14 H new ATOM 0 HD12 LEU A 28 3.816 1.011 -5.667 1.00 10.14 H new ATOM 0 HD13 LEU A 28 3.510 0.306 -4.062 1.00 10.14 H new ATOM 0 HD21 LEU A 28 6.295 0.824 -2.980 1.00 5.04 H new ATOM 0 HD22 LEU A 28 5.462 -0.736 -2.782 1.00 5.04 H new ATOM 0 HD23 LEU A 28 7.087 -0.680 -3.505 1.00 5.04 H new ATOM 404 N LYS A 29 6.782 -2.925 -8.238 1.00 30.22 N ATOM 405 CA LYS A 29 7.273 -4.276 -8.534 1.00 3.24 C ATOM 406 C LYS A 29 7.941 -4.829 -7.277 1.00 34.34 C ATOM 407 O LYS A 29 8.317 -4.044 -6.406 1.00 62.51 O ATOM 408 CB LYS A 29 8.256 -4.251 -9.720 1.00 13.03 C ATOM 409 CG LYS A 29 8.311 -5.598 -10.470 1.00 23.34 C ATOM 410 CD LYS A 29 7.121 -5.806 -11.426 1.00 21.11 C ATOM 411 CE LYS A 29 7.360 -5.067 -12.748 1.00 30.44 C ATOM 412 NZ LYS A 29 6.340 -5.350 -13.779 1.00 10.32 N ATOM 0 H LYS A 29 7.353 -2.171 -8.620 1.00 30.22 H new ATOM 0 HA LYS A 29 6.442 -4.921 -8.820 1.00 3.24 H new ATOM 0 HB2 LYS A 29 7.962 -3.464 -10.414 1.00 13.03 H new ATOM 0 HB3 LYS A 29 9.253 -4.000 -9.357 1.00 13.03 H new ATOM 0 HG2 LYS A 29 9.240 -5.653 -11.038 1.00 23.34 H new ATOM 0 HG3 LYS A 29 8.333 -6.411 -9.744 1.00 23.34 H new ATOM 0 HD2 LYS A 29 6.982 -6.870 -11.617 1.00 21.11 H new ATOM 0 HD3 LYS A 29 6.205 -5.443 -10.960 1.00 21.11 H new ATOM 0 HE2 LYS A 29 7.382 -3.994 -12.556 1.00 30.44 H new ATOM 0 HE3 LYS A 29 8.341 -5.341 -13.135 1.00 30.44 H new ATOM 0 HZ1 LYS A 29 6.564 -4.818 -14.644 1.00 10.32 H new ATOM 0 HZ2 LYS A 29 6.333 -6.368 -13.990 1.00 10.32 H new ATOM 0 HZ3 LYS A 29 5.404 -5.063 -13.429 1.00 10.32 H new ATOM 426 N VAL A 30 8.116 -6.142 -7.174 1.00 63.22 N ATOM 427 CA VAL A 30 8.879 -6.755 -6.089 1.00 1.35 C ATOM 428 C VAL A 30 9.662 -7.886 -6.708 1.00 60.34 C ATOM 429 O VAL A 30 9.257 -8.391 -7.758 1.00 71.32 O ATOM 430 CB VAL A 30 7.892 -7.221 -4.996 1.00 41.34 C ATOM 431 CG1 VAL A 30 7.242 -8.580 -5.073 1.00 32.41 C ATOM 432 CG2 VAL A 30 8.324 -7.080 -3.545 1.00 0.12 C ATOM 0 H VAL A 30 7.733 -6.813 -7.840 1.00 63.22 H new ATOM 0 HA VAL A 30 9.575 -6.070 -5.606 1.00 1.35 H new ATOM 0 HB VAL A 30 7.160 -6.468 -5.287 1.00 41.34 H new ATOM 0 HG11 VAL A 30 6.585 -8.718 -4.215 1.00 32.41 H new ATOM 0 HG12 VAL A 30 6.660 -8.653 -5.991 1.00 32.41 H new ATOM 0 HG13 VAL A 30 8.011 -9.352 -5.069 1.00 32.41 H new ATOM 0 HG21 VAL A 30 7.532 -7.447 -2.892 1.00 0.12 H new ATOM 0 HG22 VAL A 30 9.231 -7.661 -3.377 1.00 0.12 H new ATOM 0 HG23 VAL A 30 8.520 -6.031 -3.324 1.00 0.12 H new ATOM 442 N GLU A 31 10.742 -8.301 -6.056 1.00 44.34 N ATOM 443 CA GLU A 31 11.392 -9.550 -6.401 1.00 64.34 C ATOM 444 C GLU A 31 10.583 -10.724 -5.854 1.00 52.24 C ATOM 445 O GLU A 31 9.770 -10.558 -4.941 1.00 34.33 O ATOM 446 CB GLU A 31 12.829 -9.564 -5.863 1.00 32.24 C ATOM 447 CG GLU A 31 12.922 -9.419 -4.332 1.00 40.22 C ATOM 448 CD GLU A 31 14.373 -9.413 -3.809 1.00 72.24 C ATOM 449 OE1 GLU A 31 15.324 -9.226 -4.611 1.00 35.55 O ATOM 450 OE2 GLU A 31 14.556 -9.477 -2.577 1.00 1.05 O ATOM 0 H GLU A 31 11.181 -7.790 -5.290 1.00 44.34 H new ATOM 0 HA GLU A 31 11.440 -9.646 -7.486 1.00 64.34 H new ATOM 0 HB2 GLU A 31 13.309 -10.496 -6.160 1.00 32.24 H new ATOM 0 HB3 GLU A 31 13.390 -8.754 -6.330 1.00 32.24 H new ATOM 0 HG2 GLU A 31 12.430 -8.494 -4.031 1.00 40.22 H new ATOM 0 HG3 GLU A 31 12.377 -10.238 -3.862 1.00 40.22 H new ATOM 457 N ALA A 32 10.825 -11.929 -6.372 1.00 1.25 N ATOM 458 CA ALA A 32 10.021 -13.093 -6.018 1.00 43.31 C ATOM 459 C ALA A 32 10.277 -13.630 -4.602 1.00 12.23 C ATOM 460 O ALA A 32 9.636 -14.599 -4.205 1.00 54.30 O ATOM 461 CB ALA A 32 10.282 -14.195 -7.045 1.00 75.43 C ATOM 0 H ALA A 32 11.573 -12.122 -7.039 1.00 1.25 H new ATOM 0 HA ALA A 32 8.979 -12.774 -6.027 1.00 43.31 H new ATOM 0 HB1 ALA A 32 9.688 -15.074 -6.795 1.00 75.43 H new ATOM 0 HB2 ALA A 32 10.005 -13.840 -8.038 1.00 75.43 H new ATOM 0 HB3 ALA A 32 11.340 -14.458 -7.036 1.00 75.43 H new ATOM 467 N GLU A 33 11.202 -13.042 -3.850 1.00 40.22 N ATOM 468 CA GLU A 33 11.479 -13.322 -2.438 1.00 51.41 C ATOM 469 C GLU A 33 10.566 -12.483 -1.540 1.00 15.43 C ATOM 470 O GLU A 33 10.224 -12.875 -0.423 1.00 60.40 O ATOM 471 CB GLU A 33 12.909 -12.874 -2.152 1.00 42.33 C ATOM 472 CG GLU A 33 13.987 -13.586 -2.971 1.00 12.34 C ATOM 473 CD GLU A 33 14.392 -14.871 -2.270 1.00 32.43 C ATOM 474 OE1 GLU A 33 13.676 -15.887 -2.418 1.00 54.02 O ATOM 475 OE2 GLU A 33 15.359 -14.838 -1.475 1.00 64.23 O ATOM 0 H GLU A 33 11.814 -12.318 -4.226 1.00 40.22 H new ATOM 0 HA GLU A 33 11.323 -14.383 -2.244 1.00 51.41 H new ATOM 0 HB2 GLU A 33 12.982 -11.802 -2.338 1.00 42.33 H new ATOM 0 HB3 GLU A 33 13.117 -13.029 -1.093 1.00 42.33 H new ATOM 0 HG2 GLU A 33 13.612 -13.807 -3.970 1.00 12.34 H new ATOM 0 HG3 GLU A 33 14.854 -12.937 -3.092 1.00 12.34 H new ATOM 482 N GLY A 34 10.187 -11.311 -2.047 1.00 40.22 N ATOM 483 CA GLY A 34 9.554 -10.248 -1.306 1.00 4.13 C ATOM 484 C GLY A 34 10.520 -9.643 -0.287 1.00 34.45 C ATOM 485 O GLY A 34 11.626 -10.131 -0.059 1.00 32.32 O ATOM 0 H GLY A 34 10.324 -11.077 -3.030 1.00 40.22 H new ATOM 0 HA2 GLY A 34 9.212 -9.474 -1.993 1.00 4.13 H new ATOM 0 HA3 GLY A 34 8.672 -10.632 -0.794 1.00 4.13 H new ATOM 489 N GLY A 35 10.087 -8.551 0.329 1.00 72.23 N ATOM 490 CA GLY A 35 10.869 -7.812 1.312 1.00 40.44 C ATOM 491 C GLY A 35 10.015 -6.789 2.046 1.00 2.01 C ATOM 492 O GLY A 35 8.794 -6.750 1.841 1.00 32.42 O ATOM 0 H GLY A 35 9.167 -8.147 0.157 1.00 72.23 H new ATOM 0 HA2 GLY A 35 11.304 -8.507 2.030 1.00 40.44 H new ATOM 0 HA3 GLY A 35 11.697 -7.307 0.815 1.00 40.44 H new ATOM 496 N SER A 36 10.629 -5.991 2.929 1.00 22.51 N ATOM 497 CA SER A 36 9.930 -4.951 3.674 1.00 23.11 C ATOM 498 C SER A 36 10.078 -3.594 2.975 1.00 44.04 C ATOM 499 O SER A 36 11.206 -3.166 2.700 1.00 63.41 O ATOM 500 CB SER A 36 10.385 -4.922 5.139 1.00 11.43 C ATOM 501 OG SER A 36 11.719 -4.492 5.330 1.00 73.42 O ATOM 0 H SER A 36 11.624 -6.053 3.143 1.00 22.51 H new ATOM 0 HA SER A 36 8.865 -5.183 3.689 1.00 23.11 H new ATOM 0 HB2 SER A 36 9.721 -4.264 5.700 1.00 11.43 H new ATOM 0 HB3 SER A 36 10.275 -5.921 5.560 1.00 11.43 H new ATOM 0 HG SER A 36 12.012 -3.979 4.549 1.00 73.42 H new ATOM 507 N SER A 37 8.973 -2.905 2.688 1.00 13.14 N ATOM 508 CA SER A 37 8.973 -1.524 2.213 1.00 4.22 C ATOM 509 C SER A 37 8.543 -0.609 3.362 1.00 64.52 C ATOM 510 O SER A 37 8.111 -1.083 4.419 1.00 43.01 O ATOM 511 CB SER A 37 8.045 -1.397 1.001 1.00 54.22 C ATOM 512 OG SER A 37 8.585 -2.081 -0.111 1.00 41.04 O ATOM 0 H SER A 37 8.037 -3.300 2.781 1.00 13.14 H new ATOM 0 HA SER A 37 9.971 -1.226 1.892 1.00 4.22 H new ATOM 0 HB2 SER A 37 7.063 -1.804 1.243 1.00 54.22 H new ATOM 0 HB3 SER A 37 7.902 -0.345 0.754 1.00 54.22 H new ATOM 0 HG SER A 37 7.979 -1.991 -0.876 1.00 41.04 H new ATOM 518 N LEU A 38 8.669 0.709 3.185 1.00 31.51 N ATOM 519 CA LEU A 38 8.373 1.698 4.213 1.00 52.31 C ATOM 520 C LEU A 38 7.787 2.955 3.581 1.00 24.25 C ATOM 521 O LEU A 38 8.359 3.485 2.627 1.00 71.20 O ATOM 522 CB LEU A 38 9.675 2.062 4.936 1.00 70.34 C ATOM 523 CG LEU A 38 9.523 3.245 5.911 1.00 32.11 C ATOM 524 CD1 LEU A 38 8.762 2.821 7.165 1.00 44.24 C ATOM 525 CD2 LEU A 38 10.894 3.783 6.279 1.00 10.13 C ATOM 0 H LEU A 38 8.985 1.121 2.307 1.00 31.51 H new ATOM 0 HA LEU A 38 7.650 1.283 4.915 1.00 52.31 H new ATOM 0 HB2 LEU A 38 10.032 1.191 5.486 1.00 70.34 H new ATOM 0 HB3 LEU A 38 10.437 2.306 4.196 1.00 70.34 H new ATOM 0 HG LEU A 38 8.950 4.032 5.421 1.00 32.11 H new ATOM 0 HD11 LEU A 38 8.667 3.673 7.838 1.00 44.24 H new ATOM 0 HD12 LEU A 38 7.770 2.467 6.886 1.00 44.24 H new ATOM 0 HD13 LEU A 38 9.305 2.020 7.667 1.00 44.24 H new ATOM 0 HD21 LEU A 38 10.783 4.620 6.969 1.00 10.13 H new ATOM 0 HD22 LEU A 38 11.478 2.995 6.755 1.00 10.13 H new ATOM 0 HD23 LEU A 38 11.406 4.121 5.378 1.00 10.13 H new ATOM 537 N PHE A 39 6.716 3.454 4.189 1.00 10.41 N ATOM 538 CA PHE A 39 5.914 4.589 3.769 1.00 65.12 C ATOM 539 C PHE A 39 5.686 5.456 5.009 1.00 30.52 C ATOM 540 O PHE A 39 4.897 5.074 5.876 1.00 50.40 O ATOM 541 CB PHE A 39 4.603 4.051 3.177 1.00 33.34 C ATOM 542 CG PHE A 39 4.818 3.078 2.032 1.00 30.53 C ATOM 543 CD1 PHE A 39 4.918 3.547 0.711 1.00 1.23 C ATOM 544 CD2 PHE A 39 4.971 1.701 2.294 1.00 1.43 C ATOM 545 CE1 PHE A 39 5.144 2.648 -0.344 1.00 41.01 C ATOM 546 CE2 PHE A 39 5.207 0.801 1.244 1.00 45.10 C ATOM 547 CZ PHE A 39 5.279 1.274 -0.076 1.00 44.03 C ATOM 0 H PHE A 39 6.363 3.042 5.053 1.00 10.41 H new ATOM 0 HA PHE A 39 6.397 5.196 3.003 1.00 65.12 H new ATOM 0 HB2 PHE A 39 4.033 3.556 3.963 1.00 33.34 H new ATOM 0 HB3 PHE A 39 4.000 4.888 2.825 1.00 33.34 H new ATOM 0 HD1 PHE A 39 4.821 4.603 0.506 1.00 1.23 H new ATOM 0 HD2 PHE A 39 4.906 1.337 3.309 1.00 1.43 H new ATOM 0 HE1 PHE A 39 5.214 3.011 -1.359 1.00 41.01 H new ATOM 0 HE2 PHE A 39 5.333 -0.252 1.450 1.00 45.10 H new ATOM 0 HZ PHE A 39 5.439 0.580 -0.888 1.00 44.03 H new ATOM 557 N ALA A 40 6.404 6.577 5.151 1.00 34.32 N ATOM 558 CA ALA A 40 6.272 7.462 6.324 1.00 45.44 C ATOM 559 C ALA A 40 5.494 8.714 5.978 1.00 51.14 C ATOM 560 O ALA A 40 5.844 9.436 5.039 1.00 61.23 O ATOM 561 CB ALA A 40 7.629 7.827 6.922 1.00 10.11 C ATOM 0 H ALA A 40 7.088 6.897 4.465 1.00 34.32 H new ATOM 0 HA ALA A 40 5.717 6.905 7.079 1.00 45.44 H new ATOM 0 HB1 ALA A 40 7.484 8.480 7.783 1.00 10.11 H new ATOM 0 HB2 ALA A 40 8.144 6.919 7.237 1.00 10.11 H new ATOM 0 HB3 ALA A 40 8.230 8.343 6.173 1.00 10.11 H new ATOM 567 N CYS A 41 4.420 8.957 6.723 1.00 11.33 N ATOM 568 CA CYS A 41 3.410 9.935 6.382 1.00 45.30 C ATOM 569 C CYS A 41 3.733 11.244 7.094 1.00 23.32 C ATOM 570 O CYS A 41 3.508 11.408 8.291 1.00 4.43 O ATOM 571 CB CYS A 41 2.033 9.362 6.705 1.00 24.22 C ATOM 572 SG CYS A 41 1.903 8.831 8.419 1.00 33.34 S ATOM 0 H CYS A 41 4.230 8.466 7.597 1.00 11.33 H new ATOM 0 HA CYS A 41 3.401 10.160 5.316 1.00 45.30 H new ATOM 0 HB2 CYS A 41 1.271 10.114 6.501 1.00 24.22 H new ATOM 0 HB3 CYS A 41 1.830 8.516 6.048 1.00 24.22 H new ATOM 0 HG CYS A 41 1.300 9.750 9.113 1.00 33.34 H new ATOM 578 N LYS A 42 4.331 12.201 6.383 1.00 24.51 N ATOM 579 CA LYS A 42 4.725 13.443 7.042 1.00 11.45 C ATOM 580 C LYS A 42 3.567 14.450 7.113 1.00 3.05 C ATOM 581 O LYS A 42 3.753 15.530 7.665 1.00 43.03 O ATOM 582 CB LYS A 42 6.029 13.988 6.459 1.00 13.35 C ATOM 583 CG LYS A 42 6.732 14.959 7.427 1.00 42.20 C ATOM 584 CD LYS A 42 8.209 15.146 7.069 1.00 5.33 C ATOM 585 CE LYS A 42 8.996 15.905 8.144 1.00 53.14 C ATOM 586 NZ LYS A 42 9.386 15.026 9.267 1.00 14.32 N ATOM 0 H LYS A 42 4.546 12.145 5.388 1.00 24.51 H new ATOM 0 HA LYS A 42 4.952 13.229 8.086 1.00 11.45 H new ATOM 0 HB2 LYS A 42 6.698 13.159 6.228 1.00 13.35 H new ATOM 0 HB3 LYS A 42 5.820 14.500 5.520 1.00 13.35 H new ATOM 0 HG2 LYS A 42 6.227 15.925 7.404 1.00 42.20 H new ATOM 0 HG3 LYS A 42 6.650 14.580 8.446 1.00 42.20 H new ATOM 0 HD2 LYS A 42 8.666 14.169 6.915 1.00 5.33 H new ATOM 0 HD3 LYS A 42 8.283 15.685 6.125 1.00 5.33 H new ATOM 0 HE2 LYS A 42 9.889 16.343 7.699 1.00 53.14 H new ATOM 0 HE3 LYS A 42 8.392 16.730 8.522 1.00 53.14 H new ATOM 0 HZ1 LYS A 42 9.916 15.578 9.972 1.00 14.32 H new ATOM 0 HZ2 LYS A 42 8.533 14.628 9.709 1.00 14.32 H new ATOM 0 HZ3 LYS A 42 9.984 14.253 8.911 1.00 14.32 H new ATOM 600 N ASN A 43 2.372 14.138 6.592 1.00 72.30 N ATOM 601 CA ASN A 43 1.339 15.137 6.274 1.00 72.20 C ATOM 602 C ASN A 43 -0.073 14.755 6.756 1.00 63.40 C ATOM 603 O ASN A 43 -0.962 15.598 6.813 1.00 32.31 O ATOM 604 CB ASN A 43 1.391 15.354 4.758 1.00 31.25 C ATOM 605 CG ASN A 43 0.548 16.522 4.277 1.00 24.51 C ATOM 606 OD1 ASN A 43 1.034 17.650 4.215 1.00 3.32 O ATOM 607 ND2 ASN A 43 -0.666 16.250 3.836 1.00 23.14 N ATOM 0 H ASN A 43 2.092 13.181 6.378 1.00 72.30 H new ATOM 0 HA ASN A 43 1.552 16.059 6.815 1.00 72.20 H new ATOM 0 HB2 ASN A 43 2.426 15.518 4.459 1.00 31.25 H new ATOM 0 HB3 ASN A 43 1.055 14.445 4.258 1.00 31.25 H new ATOM 0 HD21 ASN A 43 -1.237 16.989 3.426 1.00 23.14 H new ATOM 0 HD22 ASN A 43 -1.033 15.301 3.906 1.00 23.14 H new ATOM 614 N TYR A 44 -0.271 13.507 7.167 1.00 41.13 N ATOM 615 CA TYR A 44 -1.404 12.941 7.894 1.00 53.44 C ATOM 616 C TYR A 44 -0.751 11.950 8.860 1.00 14.03 C ATOM 617 O TYR A 44 0.248 11.361 8.468 1.00 61.52 O ATOM 618 CB TYR A 44 -2.327 12.182 6.918 1.00 44.21 C ATOM 619 CG TYR A 44 -3.346 13.016 6.162 1.00 51.13 C ATOM 620 CD1 TYR A 44 -4.545 13.390 6.797 1.00 34.24 C ATOM 621 CD2 TYR A 44 -3.154 13.321 4.799 1.00 74.45 C ATOM 622 CE1 TYR A 44 -5.564 14.027 6.071 1.00 33.43 C ATOM 623 CE2 TYR A 44 -4.164 13.978 4.067 1.00 72.35 C ATOM 624 CZ TYR A 44 -5.383 14.312 4.701 1.00 21.11 C ATOM 625 OH TYR A 44 -6.394 14.889 3.993 1.00 73.41 O ATOM 0 H TYR A 44 0.432 12.792 6.980 1.00 41.13 H new ATOM 0 HA TYR A 44 -2.010 13.696 8.395 1.00 53.44 H new ATOM 0 HB2 TYR A 44 -1.702 11.665 6.190 1.00 44.21 H new ATOM 0 HB3 TYR A 44 -2.862 11.417 7.480 1.00 44.21 H new ATOM 0 HD1 TYR A 44 -4.682 13.186 7.849 1.00 34.24 H new ATOM 0 HD2 TYR A 44 -2.228 13.050 4.313 1.00 74.45 H new ATOM 0 HE1 TYR A 44 -6.487 14.299 6.561 1.00 33.43 H new ATOM 0 HE2 TYR A 44 -4.007 14.225 3.027 1.00 72.35 H new ATOM 0 HH TYR A 44 -6.110 15.020 3.064 1.00 73.41 H new ATOM 635 N LYS A 45 -1.252 11.756 10.085 1.00 70.32 N ATOM 636 CA LYS A 45 -0.759 10.785 11.071 1.00 73.42 C ATOM 637 C LYS A 45 -1.965 10.053 11.682 1.00 34.51 C ATOM 638 O LYS A 45 -2.022 9.748 12.871 1.00 4.12 O ATOM 639 CB LYS A 45 0.110 11.500 12.112 1.00 65.22 C ATOM 640 CG LYS A 45 1.437 11.977 11.491 1.00 1.04 C ATOM 641 CD LYS A 45 1.485 13.490 11.268 1.00 73.31 C ATOM 642 CE LYS A 45 2.527 13.873 10.224 1.00 64.43 C ATOM 643 NZ LYS A 45 2.825 15.321 10.275 1.00 1.24 N ATOM 0 H LYS A 45 -2.046 12.294 10.432 1.00 70.32 H new ATOM 0 HA LYS A 45 -0.121 10.034 10.604 1.00 73.42 H new ATOM 0 HB2 LYS A 45 -0.432 12.353 12.519 1.00 65.22 H new ATOM 0 HB3 LYS A 45 0.315 10.826 12.944 1.00 65.22 H new ATOM 0 HG2 LYS A 45 2.261 11.685 12.142 1.00 1.04 H new ATOM 0 HG3 LYS A 45 1.588 11.470 10.538 1.00 1.04 H new ATOM 0 HD2 LYS A 45 0.504 13.842 10.949 1.00 73.31 H new ATOM 0 HD3 LYS A 45 1.713 13.990 12.210 1.00 73.31 H new ATOM 0 HE2 LYS A 45 3.441 13.304 10.393 1.00 64.43 H new ATOM 0 HE3 LYS A 45 2.165 13.608 9.231 1.00 64.43 H new ATOM 0 HZ1 LYS A 45 3.159 15.640 9.343 1.00 1.24 H new ATOM 0 HZ2 LYS A 45 1.963 15.844 10.531 1.00 1.24 H new ATOM 0 HZ3 LYS A 45 3.562 15.499 10.987 1.00 1.24 H new ATOM 657 N SER A 46 -2.990 9.838 10.861 1.00 54.45 N ATOM 658 CA SER A 46 -4.167 9.041 11.164 1.00 5.12 C ATOM 659 C SER A 46 -4.719 8.558 9.825 1.00 63.15 C ATOM 660 O SER A 46 -5.072 9.380 8.979 1.00 53.11 O ATOM 661 CB SER A 46 -5.187 9.854 11.980 1.00 2.30 C ATOM 662 OG SER A 46 -5.282 11.210 11.566 1.00 71.25 O ATOM 0 H SER A 46 -3.020 10.236 9.922 1.00 54.45 H new ATOM 0 HA SER A 46 -3.925 8.183 11.791 1.00 5.12 H new ATOM 0 HB2 SER A 46 -6.167 9.385 11.894 1.00 2.30 H new ATOM 0 HB3 SER A 46 -4.909 9.821 13.033 1.00 2.30 H new ATOM 0 HG SER A 46 -5.945 11.675 12.118 1.00 71.25 H new ATOM 668 N PHE A 47 -4.702 7.247 9.598 1.00 34.11 N ATOM 669 CA PHE A 47 -5.359 6.557 8.494 1.00 70.12 C ATOM 670 C PHE A 47 -5.503 5.078 8.859 1.00 23.12 C ATOM 671 O PHE A 47 -4.893 4.608 9.827 1.00 54.23 O ATOM 672 CB PHE A 47 -4.562 6.717 7.189 1.00 1.04 C ATOM 673 CG PHE A 47 -3.134 6.225 7.218 1.00 3.10 C ATOM 674 CD1 PHE A 47 -2.104 7.099 7.597 1.00 44.32 C ATOM 675 CD2 PHE A 47 -2.826 4.916 6.807 1.00 10.14 C ATOM 676 CE1 PHE A 47 -0.774 6.666 7.527 1.00 23.14 C ATOM 677 CE2 PHE A 47 -1.487 4.501 6.719 1.00 32.25 C ATOM 678 CZ PHE A 47 -0.451 5.381 7.074 1.00 21.12 C ATOM 0 H PHE A 47 -4.203 6.604 10.213 1.00 34.11 H new ATOM 0 HA PHE A 47 -6.343 6.995 8.329 1.00 70.12 H new ATOM 0 HB2 PHE A 47 -5.091 6.188 6.397 1.00 1.04 H new ATOM 0 HB3 PHE A 47 -4.556 7.773 6.918 1.00 1.04 H new ATOM 0 HD1 PHE A 47 -2.335 8.097 7.940 1.00 44.32 H new ATOM 0 HD2 PHE A 47 -3.621 4.228 6.558 1.00 10.14 H new ATOM 0 HE1 PHE A 47 0.018 7.336 7.828 1.00 23.14 H new ATOM 0 HE2 PHE A 47 -1.253 3.503 6.378 1.00 32.25 H new ATOM 0 HZ PHE A 47 0.581 5.071 6.999 1.00 21.12 H new ATOM 688 N TRP A 48 -6.276 4.332 8.080 1.00 1.32 N ATOM 689 CA TRP A 48 -6.523 2.911 8.272 1.00 20.11 C ATOM 690 C TRP A 48 -6.545 2.217 6.925 1.00 11.42 C ATOM 691 O TRP A 48 -6.541 2.853 5.872 1.00 2.24 O ATOM 692 CB TRP A 48 -7.855 2.712 9.001 1.00 15.54 C ATOM 693 CG TRP A 48 -9.018 3.415 8.370 1.00 72.44 C ATOM 694 CD1 TRP A 48 -9.843 2.885 7.442 1.00 44.31 C ATOM 695 CD2 TRP A 48 -9.454 4.799 8.540 1.00 71.43 C ATOM 696 NE1 TRP A 48 -10.721 3.848 7.000 1.00 42.13 N ATOM 697 CE2 TRP A 48 -10.507 5.060 7.614 1.00 44.42 C ATOM 698 CE3 TRP A 48 -9.060 5.863 9.378 1.00 44.23 C ATOM 699 CZ2 TRP A 48 -11.115 6.319 7.506 1.00 42.43 C ATOM 700 CZ3 TRP A 48 -9.672 7.128 9.290 1.00 63.14 C ATOM 701 CH2 TRP A 48 -10.691 7.360 8.349 1.00 70.44 C ATOM 0 H TRP A 48 -6.764 4.714 7.270 1.00 1.32 H new ATOM 0 HA TRP A 48 -5.727 2.478 8.879 1.00 20.11 H new ATOM 0 HB2 TRP A 48 -8.073 1.645 9.048 1.00 15.54 H new ATOM 0 HB3 TRP A 48 -7.749 3.061 10.028 1.00 15.54 H new ATOM 0 HD1 TRP A 48 -9.818 1.861 7.099 1.00 44.31 H new ATOM 0 HE1 TRP A 48 -11.444 3.683 6.300 1.00 42.13 H new ATOM 0 HE3 TRP A 48 -8.274 5.704 10.101 1.00 44.23 H new ATOM 0 HZ2 TRP A 48 -11.900 6.486 6.783 1.00 42.43 H new ATOM 0 HZ3 TRP A 48 -9.357 7.924 9.948 1.00 63.14 H new ATOM 0 HH2 TRP A 48 -11.147 8.336 8.274 1.00 70.44 H new ATOM 712 N ILE A 49 -6.550 0.890 6.989 1.00 53.44 N ATOM 713 CA ILE A 49 -6.696 0.012 5.843 1.00 11.53 C ATOM 714 C ILE A 49 -8.186 -0.028 5.553 1.00 12.14 C ATOM 715 O ILE A 49 -8.965 -0.373 6.448 1.00 53.43 O ATOM 716 CB ILE A 49 -6.135 -1.377 6.190 1.00 2.40 C ATOM 717 CG1 ILE A 49 -4.642 -1.272 6.583 1.00 11.03 C ATOM 718 CG2 ILE A 49 -6.372 -2.374 5.041 1.00 4.24 C ATOM 719 CD1 ILE A 49 -3.668 -1.160 5.404 1.00 20.40 C ATOM 0 H ILE A 49 -6.449 0.384 7.869 1.00 53.44 H new ATOM 0 HA ILE A 49 -6.148 0.357 4.966 1.00 11.53 H new ATOM 0 HB ILE A 49 -6.672 -1.767 7.055 1.00 2.40 H new ATOM 0 HG12 ILE A 49 -4.512 -0.402 7.227 1.00 11.03 H new ATOM 0 HG13 ILE A 49 -4.375 -2.148 7.174 1.00 11.03 H new ATOM 0 HG21 ILE A 49 -5.965 -3.348 5.314 1.00 4.24 H new ATOM 0 HG22 ILE A 49 -7.442 -2.467 4.855 1.00 4.24 H new ATOM 0 HG23 ILE A 49 -5.877 -2.014 4.139 1.00 4.24 H new ATOM 0 HD11 ILE A 49 -2.647 -1.091 5.780 1.00 20.40 H new ATOM 0 HD12 ILE A 49 -3.762 -2.041 4.769 1.00 20.40 H new ATOM 0 HD13 ILE A 49 -3.901 -0.268 4.823 1.00 20.40 H new ATOM 731 N SER A 50 -8.566 0.363 4.340 1.00 23.03 N ATOM 732 CA SER A 50 -9.961 0.535 3.967 1.00 44.55 C ATOM 733 C SER A 50 -10.309 -0.138 2.634 1.00 35.32 C ATOM 734 O SER A 50 -11.487 -0.167 2.270 1.00 75.25 O ATOM 735 CB SER A 50 -10.284 2.032 4.009 1.00 62.15 C ATOM 736 OG SER A 50 -11.459 2.240 4.778 1.00 64.35 O ATOM 0 H SER A 50 -7.910 0.570 3.587 1.00 23.03 H new ATOM 0 HA SER A 50 -10.600 0.020 4.685 1.00 44.55 H new ATOM 0 HB2 SER A 50 -9.450 2.583 4.443 1.00 62.15 H new ATOM 0 HB3 SER A 50 -10.426 2.413 2.998 1.00 62.15 H new ATOM 0 HG SER A 50 -11.931 3.032 4.446 1.00 64.35 H new ATOM 742 N SER A 51 -9.340 -0.721 1.918 1.00 21.42 N ATOM 743 CA SER A 51 -9.573 -1.786 0.945 1.00 51.41 C ATOM 744 C SER A 51 -8.292 -2.588 0.682 1.00 73.25 C ATOM 745 O SER A 51 -7.173 -2.114 0.910 1.00 64.12 O ATOM 746 CB SER A 51 -10.170 -1.222 -0.354 1.00 11.30 C ATOM 747 OG SER A 51 -11.573 -1.115 -0.191 1.00 63.12 O ATOM 0 H SER A 51 -8.358 -0.459 2.002 1.00 21.42 H new ATOM 0 HA SER A 51 -10.303 -2.476 1.368 1.00 51.41 H new ATOM 0 HB2 SER A 51 -9.739 -0.246 -0.577 1.00 11.30 H new ATOM 0 HB3 SER A 51 -9.934 -1.875 -1.195 1.00 11.30 H new ATOM 0 HG SER A 51 -11.770 -0.620 0.632 1.00 63.12 H new ATOM 753 N VAL A 52 -8.477 -3.820 0.197 1.00 23.03 N ATOM 754 CA VAL A 52 -7.462 -4.842 -0.025 1.00 2.53 C ATOM 755 C VAL A 52 -7.827 -5.599 -1.308 1.00 12.21 C ATOM 756 O VAL A 52 -8.843 -6.297 -1.355 1.00 42.34 O ATOM 757 CB VAL A 52 -7.390 -5.794 1.193 1.00 21.34 C ATOM 758 CG1 VAL A 52 -6.287 -6.848 1.006 1.00 41.33 C ATOM 759 CG2 VAL A 52 -7.119 -5.045 2.511 1.00 73.11 C ATOM 0 H VAL A 52 -9.406 -4.147 -0.068 1.00 23.03 H new ATOM 0 HA VAL A 52 -6.477 -4.390 -0.139 1.00 2.53 H new ATOM 0 HB VAL A 52 -8.367 -6.274 1.254 1.00 21.34 H new ATOM 0 HG11 VAL A 52 -6.259 -7.503 1.876 1.00 41.33 H new ATOM 0 HG12 VAL A 52 -6.495 -7.438 0.114 1.00 41.33 H new ATOM 0 HG13 VAL A 52 -5.323 -6.351 0.895 1.00 41.33 H new ATOM 0 HG21 VAL A 52 -7.078 -5.759 3.334 1.00 73.11 H new ATOM 0 HG22 VAL A 52 -6.168 -4.518 2.441 1.00 73.11 H new ATOM 0 HG23 VAL A 52 -7.919 -4.327 2.693 1.00 73.11 H new ATOM 769 N LYS A 53 -6.981 -5.509 -2.340 1.00 15.52 N ATOM 770 CA LYS A 53 -7.013 -6.391 -3.514 1.00 3.12 C ATOM 771 C LYS A 53 -5.816 -7.320 -3.413 1.00 1.10 C ATOM 772 O LYS A 53 -4.767 -6.875 -2.963 1.00 1.02 O ATOM 773 CB LYS A 53 -6.939 -5.534 -4.790 1.00 14.34 C ATOM 774 CG LYS A 53 -6.824 -6.258 -6.146 1.00 40.02 C ATOM 775 CD LYS A 53 -6.957 -5.265 -7.315 1.00 42.12 C ATOM 776 CE LYS A 53 -8.373 -4.728 -7.568 1.00 15.51 C ATOM 777 NZ LYS A 53 -8.364 -3.545 -8.456 1.00 11.51 N ATOM 0 H LYS A 53 -6.241 -4.809 -2.384 1.00 15.52 H new ATOM 0 HA LYS A 53 -7.932 -6.975 -3.553 1.00 3.12 H new ATOM 0 HB2 LYS A 53 -7.829 -4.906 -4.822 1.00 14.34 H new ATOM 0 HB3 LYS A 53 -6.082 -4.867 -4.694 1.00 14.34 H new ATOM 0 HG2 LYS A 53 -5.865 -6.772 -6.208 1.00 40.02 H new ATOM 0 HG3 LYS A 53 -7.599 -7.021 -6.222 1.00 40.02 H new ATOM 0 HD2 LYS A 53 -6.295 -4.420 -7.128 1.00 42.12 H new ATOM 0 HD3 LYS A 53 -6.604 -5.752 -8.224 1.00 42.12 H new ATOM 0 HE2 LYS A 53 -8.984 -5.512 -8.014 1.00 15.51 H new ATOM 0 HE3 LYS A 53 -8.837 -4.465 -6.617 1.00 15.51 H new ATOM 0 HZ1 LYS A 53 -9.339 -3.213 -8.602 1.00 11.51 H new ATOM 0 HZ2 LYS A 53 -7.802 -2.787 -8.019 1.00 11.51 H new ATOM 0 HZ3 LYS A 53 -7.945 -3.802 -9.373 1.00 11.51 H new ATOM 791 N GLU A 54 -5.956 -8.564 -3.862 1.00 74.55 N ATOM 792 CA GLU A 54 -4.867 -9.547 -3.983 1.00 51.02 C ATOM 793 C GLU A 54 -5.028 -10.440 -5.228 1.00 60.44 C ATOM 794 O GLU A 54 -4.185 -11.297 -5.499 1.00 31.11 O ATOM 795 CB GLU A 54 -4.775 -10.391 -2.702 1.00 54.13 C ATOM 796 CG GLU A 54 -5.930 -11.387 -2.538 1.00 33.32 C ATOM 797 CD GLU A 54 -5.792 -12.228 -1.270 1.00 15.40 C ATOM 798 OE1 GLU A 54 -4.993 -13.186 -1.248 1.00 24.34 O ATOM 799 OE2 GLU A 54 -6.575 -12.029 -0.315 1.00 13.02 O ATOM 0 H GLU A 54 -6.857 -8.934 -4.163 1.00 74.55 H new ATOM 0 HA GLU A 54 -3.934 -8.999 -4.111 1.00 51.02 H new ATOM 0 HB2 GLU A 54 -3.832 -10.938 -2.704 1.00 54.13 H new ATOM 0 HB3 GLU A 54 -4.755 -9.725 -1.839 1.00 54.13 H new ATOM 0 HG2 GLU A 54 -6.875 -10.844 -2.510 1.00 33.32 H new ATOM 0 HG3 GLU A 54 -5.966 -12.045 -3.406 1.00 33.32 H new ATOM 806 N GLU A 55 -6.112 -10.259 -5.991 1.00 11.42 N ATOM 807 CA GLU A 55 -6.553 -11.238 -6.979 1.00 32.32 C ATOM 808 C GLU A 55 -7.353 -10.544 -8.084 1.00 41.11 C ATOM 809 O GLU A 55 -8.285 -11.105 -8.656 1.00 32.30 O ATOM 810 CB GLU A 55 -7.346 -12.343 -6.241 1.00 63.05 C ATOM 811 CG GLU A 55 -6.816 -13.728 -6.601 1.00 60.12 C ATOM 812 CD GLU A 55 -7.216 -14.119 -8.026 1.00 73.03 C ATOM 813 OE1 GLU A 55 -8.302 -14.736 -8.172 1.00 71.34 O ATOM 814 OE2 GLU A 55 -6.475 -13.861 -8.990 1.00 64.24 O ATOM 0 H GLU A 55 -6.704 -9.430 -5.938 1.00 11.42 H new ATOM 0 HA GLU A 55 -5.707 -11.711 -7.478 1.00 32.32 H new ATOM 0 HB2 GLU A 55 -7.274 -12.190 -5.164 1.00 63.05 H new ATOM 0 HB3 GLU A 55 -8.402 -12.274 -6.502 1.00 63.05 H new ATOM 0 HG2 GLU A 55 -5.730 -13.740 -6.509 1.00 60.12 H new ATOM 0 HG3 GLU A 55 -7.204 -14.464 -5.896 1.00 60.12 H new ATOM 821 N GLY A 56 -7.081 -9.258 -8.323 1.00 73.35 N ATOM 822 CA GLY A 56 -7.858 -8.442 -9.248 1.00 20.10 C ATOM 823 C GLY A 56 -9.249 -8.084 -8.714 1.00 63.31 C ATOM 824 O GLY A 56 -9.923 -7.234 -9.294 1.00 20.32 O ATOM 0 H GLY A 56 -6.313 -8.756 -7.877 1.00 73.35 H new ATOM 0 HA2 GLY A 56 -7.310 -7.524 -9.461 1.00 20.10 H new ATOM 0 HA3 GLY A 56 -7.965 -8.976 -10.192 1.00 20.10 H new ATOM 828 N LYS A 57 -9.655 -8.643 -7.574 1.00 4.23 N ATOM 829 CA LYS A 57 -10.891 -8.350 -6.868 1.00 1.12 C ATOM 830 C LYS A 57 -10.570 -7.876 -5.468 1.00 40.21 C ATOM 831 O LYS A 57 -9.479 -8.153 -4.956 1.00 2.21 O ATOM 832 CB LYS A 57 -11.825 -9.569 -6.884 1.00 55.32 C ATOM 833 CG LYS A 57 -11.289 -10.899 -6.329 1.00 63.32 C ATOM 834 CD LYS A 57 -11.341 -11.012 -4.802 1.00 15.13 C ATOM 835 CE LYS A 57 -11.102 -12.463 -4.387 1.00 2.24 C ATOM 836 NZ LYS A 57 -11.298 -12.686 -2.940 1.00 32.02 N ATOM 0 H LYS A 57 -9.096 -9.350 -7.097 1.00 4.23 H new ATOM 0 HA LYS A 57 -11.427 -7.547 -7.374 1.00 1.12 H new ATOM 0 HB2 LYS A 57 -12.721 -9.310 -6.321 1.00 55.32 H new ATOM 0 HB3 LYS A 57 -12.134 -9.739 -7.915 1.00 55.32 H new ATOM 0 HG2 LYS A 57 -11.864 -11.718 -6.762 1.00 63.32 H new ATOM 0 HG3 LYS A 57 -10.257 -11.026 -6.656 1.00 63.32 H new ATOM 0 HD2 LYS A 57 -10.586 -10.366 -4.354 1.00 15.13 H new ATOM 0 HD3 LYS A 57 -12.310 -10.673 -4.435 1.00 15.13 H new ATOM 0 HE2 LYS A 57 -11.778 -13.111 -4.944 1.00 2.24 H new ATOM 0 HE3 LYS A 57 -10.087 -12.751 -4.660 1.00 2.24 H new ATOM 0 HZ1 LYS A 57 -11.123 -13.686 -2.716 1.00 32.02 H new ATOM 0 HZ2 LYS A 57 -10.635 -12.090 -2.404 1.00 32.02 H new ATOM 0 HZ3 LYS A 57 -12.274 -12.439 -2.680 1.00 32.02 H new ATOM 850 N PHE A 58 -11.516 -7.166 -4.874 1.00 34.12 N ATOM 851 CA PHE A 58 -11.421 -6.668 -3.516 1.00 54.45 C ATOM 852 C PHE A 58 -11.913 -7.736 -2.537 1.00 61.32 C ATOM 853 O PHE A 58 -12.545 -8.728 -2.917 1.00 74.24 O ATOM 854 CB PHE A 58 -12.246 -5.376 -3.417 1.00 72.23 C ATOM 855 CG PHE A 58 -11.541 -4.083 -3.800 1.00 2.23 C ATOM 856 CD1 PHE A 58 -10.397 -4.046 -4.628 1.00 51.11 C ATOM 857 CD2 PHE A 58 -12.037 -2.880 -3.271 1.00 61.04 C ATOM 858 CE1 PHE A 58 -9.732 -2.827 -4.871 1.00 42.21 C ATOM 859 CE2 PHE A 58 -11.371 -1.671 -3.516 1.00 11.11 C ATOM 860 CZ PHE A 58 -10.213 -1.639 -4.305 1.00 11.24 C ATOM 0 H PHE A 58 -12.390 -6.916 -5.336 1.00 34.12 H new ATOM 0 HA PHE A 58 -10.387 -6.444 -3.256 1.00 54.45 H new ATOM 0 HB2 PHE A 58 -13.126 -5.485 -4.052 1.00 72.23 H new ATOM 0 HB3 PHE A 58 -12.603 -5.278 -2.392 1.00 72.23 H new ATOM 0 HD1 PHE A 58 -10.030 -4.957 -5.077 1.00 51.11 H new ATOM 0 HD2 PHE A 58 -12.936 -2.886 -2.673 1.00 61.04 H new ATOM 0 HE1 PHE A 58 -8.850 -2.809 -5.494 1.00 42.21 H new ATOM 0 HE2 PHE A 58 -11.754 -0.755 -3.092 1.00 11.11 H new ATOM 0 HZ PHE A 58 -9.696 -0.706 -4.475 1.00 11.24 H new ATOM 870 N LYS A 59 -11.635 -7.541 -1.253 1.00 71.15 N ATOM 871 CA LYS A 59 -12.217 -8.292 -0.147 1.00 52.31 C ATOM 872 C LYS A 59 -12.476 -7.343 1.007 1.00 75.33 C ATOM 873 O LYS A 59 -12.220 -6.148 0.902 1.00 24.10 O ATOM 874 CB LYS A 59 -11.306 -9.476 0.224 1.00 71.14 C ATOM 875 CG LYS A 59 -9.925 -9.048 0.751 1.00 44.41 C ATOM 876 CD LYS A 59 -9.495 -9.937 1.923 1.00 40.33 C ATOM 877 CE LYS A 59 -8.904 -11.255 1.432 1.00 31.04 C ATOM 878 NZ LYS A 59 -8.895 -12.283 2.488 1.00 53.24 N ATOM 0 H LYS A 59 -10.974 -6.829 -0.942 1.00 71.15 H new ATOM 0 HA LYS A 59 -13.175 -8.726 -0.432 1.00 52.31 H new ATOM 0 HB2 LYS A 59 -11.803 -10.083 0.981 1.00 71.14 H new ATOM 0 HB3 LYS A 59 -11.171 -10.109 -0.653 1.00 71.14 H new ATOM 0 HG2 LYS A 59 -9.188 -9.112 -0.050 1.00 44.41 H new ATOM 0 HG3 LYS A 59 -9.959 -8.007 1.071 1.00 44.41 H new ATOM 0 HD2 LYS A 59 -8.759 -9.410 2.531 1.00 40.33 H new ATOM 0 HD3 LYS A 59 -10.353 -10.137 2.564 1.00 40.33 H new ATOM 0 HE2 LYS A 59 -9.480 -11.616 0.580 1.00 31.04 H new ATOM 0 HE3 LYS A 59 -7.886 -11.087 1.081 1.00 31.04 H new ATOM 0 HZ1 LYS A 59 -8.630 -13.201 2.077 1.00 53.24 H new ATOM 0 HZ2 LYS A 59 -8.206 -12.021 3.222 1.00 53.24 H new ATOM 0 HZ3 LYS A 59 -9.842 -12.354 2.912 1.00 53.24 H new ATOM 892 N GLU A 60 -12.983 -7.864 2.109 1.00 54.14 N ATOM 893 CA GLU A 60 -13.099 -7.108 3.341 1.00 62.44 C ATOM 894 C GLU A 60 -11.785 -7.290 4.109 1.00 2.23 C ATOM 895 O GLU A 60 -10.840 -7.894 3.605 1.00 44.34 O ATOM 896 CB GLU A 60 -14.324 -7.622 4.089 1.00 54.41 C ATOM 897 CG GLU A 60 -15.648 -7.275 3.413 1.00 22.44 C ATOM 898 CD GLU A 60 -16.802 -7.487 4.399 1.00 0.43 C ATOM 899 OE1 GLU A 60 -17.079 -8.660 4.734 1.00 71.44 O ATOM 900 OE2 GLU A 60 -17.413 -6.510 4.884 1.00 0.34 O ATOM 0 H GLU A 60 -13.326 -8.822 2.175 1.00 54.14 H new ATOM 0 HA GLU A 60 -13.245 -6.039 3.186 1.00 62.44 H new ATOM 0 HB2 GLU A 60 -14.250 -8.705 4.188 1.00 54.41 H new ATOM 0 HB3 GLU A 60 -14.322 -7.209 5.098 1.00 54.41 H new ATOM 0 HG2 GLU A 60 -15.633 -6.240 3.073 1.00 22.44 H new ATOM 0 HG3 GLU A 60 -15.791 -7.899 2.531 1.00 22.44 H new ATOM 907 N ASN A 61 -11.659 -6.714 5.295 1.00 20.22 N ATOM 908 CA ASN A 61 -10.634 -7.011 6.270 1.00 24.30 C ATOM 909 C ASN A 61 -11.282 -6.822 7.647 1.00 40.54 C ATOM 910 O ASN A 61 -12.437 -6.394 7.725 1.00 73.45 O ATOM 911 CB ASN A 61 -9.403 -6.128 6.025 1.00 1.53 C ATOM 912 CG ASN A 61 -9.357 -4.849 6.846 1.00 40.43 C ATOM 913 OD1 ASN A 61 -10.362 -4.170 7.010 1.00 73.03 O ATOM 914 ND2 ASN A 61 -8.214 -4.524 7.425 1.00 51.45 N ATOM 0 H ASN A 61 -12.304 -5.991 5.614 1.00 20.22 H new ATOM 0 HA ASN A 61 -10.262 -8.033 6.198 1.00 24.30 H new ATOM 0 HB2 ASN A 61 -8.507 -6.712 6.238 1.00 1.53 H new ATOM 0 HB3 ASN A 61 -9.368 -5.865 4.968 1.00 1.53 H new ATOM 0 HD21 ASN A 61 -8.160 -3.696 8.019 1.00 51.45 H new ATOM 0 HD22 ASN A 61 -7.386 -5.101 7.278 1.00 51.45 H new ATOM 921 N THR A 62 -10.570 -7.146 8.723 1.00 64.14 N ATOM 922 CA THR A 62 -11.142 -7.239 10.064 1.00 11.30 C ATOM 923 C THR A 62 -10.435 -6.310 11.061 1.00 54.41 C ATOM 924 O THR A 62 -10.575 -6.497 12.271 1.00 21.40 O ATOM 925 CB THR A 62 -11.201 -8.723 10.465 1.00 44.25 C ATOM 926 OG1 THR A 62 -12.016 -8.921 11.600 1.00 24.20 O ATOM 927 CG2 THR A 62 -9.820 -9.322 10.703 1.00 15.33 C ATOM 0 H THR A 62 -9.572 -7.353 8.689 1.00 64.14 H new ATOM 0 HA THR A 62 -12.166 -6.867 10.074 1.00 11.30 H new ATOM 0 HB THR A 62 -11.645 -9.245 9.618 1.00 44.25 H new ATOM 0 HG1 THR A 62 -11.853 -8.205 12.249 1.00 24.20 H new ATOM 0 HG21 THR A 62 -9.922 -10.370 10.983 1.00 15.33 H new ATOM 0 HG22 THR A 62 -9.228 -9.246 9.791 1.00 15.33 H new ATOM 0 HG23 THR A 62 -9.321 -8.779 11.506 1.00 15.33 H new ATOM 935 N SER A 63 -9.650 -5.344 10.579 1.00 31.13 N ATOM 936 CA SER A 63 -8.757 -4.527 11.386 1.00 54.13 C ATOM 937 C SER A 63 -8.642 -3.133 10.758 1.00 75.43 C ATOM 938 O SER A 63 -8.874 -2.978 9.563 1.00 24.30 O ATOM 939 CB SER A 63 -7.391 -5.222 11.419 1.00 0.42 C ATOM 940 OG SER A 63 -7.455 -6.514 12.012 1.00 60.25 O ATOM 0 H SER A 63 -9.621 -5.106 9.588 1.00 31.13 H new ATOM 0 HA SER A 63 -9.136 -4.413 12.401 1.00 54.13 H new ATOM 0 HB2 SER A 63 -7.006 -5.310 10.403 1.00 0.42 H new ATOM 0 HB3 SER A 63 -6.685 -4.604 11.975 1.00 0.42 H new ATOM 0 HG SER A 63 -6.563 -6.919 12.010 1.00 60.25 H new ATOM 946 N TYR A 64 -8.175 -2.130 11.502 1.00 41.12 N ATOM 947 CA TYR A 64 -7.961 -0.775 10.979 1.00 0.22 C ATOM 948 C TYR A 64 -6.501 -0.336 11.084 1.00 11.23 C ATOM 949 O TYR A 64 -6.191 0.843 10.934 1.00 34.44 O ATOM 950 CB TYR A 64 -8.947 0.218 11.617 1.00 11.43 C ATOM 951 CG TYR A 64 -10.416 -0.041 11.324 1.00 44.51 C ATOM 952 CD1 TYR A 64 -10.867 -0.134 9.992 1.00 61.21 C ATOM 953 CD2 TYR A 64 -11.344 -0.134 12.379 1.00 74.33 C ATOM 954 CE1 TYR A 64 -12.228 -0.339 9.710 1.00 12.20 C ATOM 955 CE2 TYR A 64 -12.708 -0.341 12.106 1.00 15.14 C ATOM 956 CZ TYR A 64 -13.153 -0.451 10.770 1.00 33.42 C ATOM 957 OH TYR A 64 -14.480 -0.612 10.514 1.00 35.14 O ATOM 0 H TYR A 64 -7.933 -2.232 12.488 1.00 41.12 H new ATOM 0 HA TYR A 64 -8.175 -0.788 9.910 1.00 0.22 H new ATOM 0 HB2 TYR A 64 -8.802 0.204 12.697 1.00 11.43 H new ATOM 0 HB3 TYR A 64 -8.697 1.222 11.274 1.00 11.43 H new ATOM 0 HD1 TYR A 64 -10.160 -0.047 9.180 1.00 61.21 H new ATOM 0 HD2 TYR A 64 -11.007 -0.046 13.401 1.00 74.33 H new ATOM 0 HE1 TYR A 64 -12.565 -0.411 8.686 1.00 12.20 H new ATOM 0 HE2 TYR A 64 -13.416 -0.416 12.918 1.00 15.14 H new ATOM 0 HH TYR A 64 -14.971 -0.673 11.360 1.00 35.14 H new ATOM 967 N LYS A 65 -5.587 -1.270 11.342 1.00 11.24 N ATOM 968 CA LYS A 65 -4.156 -0.998 11.474 1.00 40.32 C ATOM 969 C LYS A 65 -3.294 -2.153 10.975 1.00 43.14 C ATOM 970 O LYS A 65 -2.101 -1.942 10.781 1.00 1.01 O ATOM 971 CB LYS A 65 -3.802 -0.619 12.925 1.00 11.42 C ATOM 972 CG LYS A 65 -4.366 -1.628 13.930 1.00 62.42 C ATOM 973 CD LYS A 65 -4.120 -1.268 15.398 1.00 12.40 C ATOM 974 CE LYS A 65 -4.617 -2.380 16.337 1.00 75.42 C ATOM 975 NZ LYS A 65 -3.771 -3.595 16.302 1.00 12.12 N ATOM 0 H LYS A 65 -5.824 -2.254 11.467 1.00 11.24 H new ATOM 0 HA LYS A 65 -3.932 -0.145 10.833 1.00 40.32 H new ATOM 0 HB2 LYS A 65 -2.719 -0.565 13.033 1.00 11.42 H new ATOM 0 HB3 LYS A 65 -4.194 0.373 13.147 1.00 11.42 H new ATOM 0 HG2 LYS A 65 -5.440 -1.722 13.767 1.00 62.42 H new ATOM 0 HG3 LYS A 65 -3.926 -2.605 13.730 1.00 62.42 H new ATOM 0 HD2 LYS A 65 -3.055 -1.101 15.560 1.00 12.40 H new ATOM 0 HD3 LYS A 65 -4.629 -0.334 15.636 1.00 12.40 H new ATOM 0 HE2 LYS A 65 -4.650 -1.997 17.357 1.00 75.42 H new ATOM 0 HE3 LYS A 65 -5.638 -2.648 16.064 1.00 75.42 H new ATOM 0 HZ1 LYS A 65 -4.356 -4.431 16.505 1.00 12.12 H new ATOM 0 HZ2 LYS A 65 -3.342 -3.692 15.360 1.00 12.12 H new ATOM 0 HZ3 LYS A 65 -3.020 -3.516 17.017 1.00 12.12 H new ATOM 989 N GLU A 66 -3.854 -3.319 10.668 1.00 33.43 N ATOM 990 CA GLU A 66 -3.135 -4.439 10.073 1.00 3.21 C ATOM 991 C GLU A 66 -3.954 -4.963 8.900 1.00 51.15 C ATOM 992 O GLU A 66 -5.156 -4.685 8.801 1.00 75.53 O ATOM 993 CB GLU A 66 -2.895 -5.540 11.124 1.00 34.15 C ATOM 994 CG GLU A 66 -1.640 -5.276 11.973 1.00 11.25 C ATOM 995 CD GLU A 66 -1.877 -5.524 13.464 1.00 41.24 C ATOM 996 OE1 GLU A 66 -2.547 -4.682 14.109 1.00 42.02 O ATOM 997 OE2 GLU A 66 -1.418 -6.555 14.001 1.00 35.25 O ATOM 0 H GLU A 66 -4.842 -3.515 10.830 1.00 33.43 H new ATOM 0 HA GLU A 66 -2.158 -4.115 9.715 1.00 3.21 H new ATOM 0 HB2 GLU A 66 -3.764 -5.610 11.778 1.00 34.15 H new ATOM 0 HB3 GLU A 66 -2.795 -6.502 10.622 1.00 34.15 H new ATOM 0 HG2 GLU A 66 -0.829 -5.917 11.626 1.00 11.25 H new ATOM 0 HG3 GLU A 66 -1.317 -4.245 11.827 1.00 11.25 H new ATOM 1004 N PHE A 67 -3.318 -5.772 8.052 1.00 23.32 N ATOM 1005 CA PHE A 67 -3.966 -6.958 7.520 1.00 60.12 C ATOM 1006 C PHE A 67 -2.903 -8.012 7.224 1.00 2.42 C ATOM 1007 O PHE A 67 -1.929 -7.700 6.535 1.00 1.11 O ATOM 1008 CB PHE A 67 -4.823 -6.656 6.283 1.00 14.23 C ATOM 1009 CG PHE A 67 -5.704 -7.819 5.857 1.00 21.43 C ATOM 1010 CD1 PHE A 67 -6.614 -8.387 6.770 1.00 75.32 C ATOM 1011 CD2 PHE A 67 -5.632 -8.330 4.549 1.00 61.12 C ATOM 1012 CE1 PHE A 67 -7.439 -9.456 6.383 1.00 23.33 C ATOM 1013 CE2 PHE A 67 -6.472 -9.388 4.151 1.00 35.30 C ATOM 1014 CZ PHE A 67 -7.370 -9.954 5.074 1.00 0.51 C ATOM 0 H PHE A 67 -2.363 -5.625 7.725 1.00 23.32 H new ATOM 0 HA PHE A 67 -4.658 -7.340 8.270 1.00 60.12 H new ATOM 0 HB2 PHE A 67 -5.452 -5.790 6.489 1.00 14.23 H new ATOM 0 HB3 PHE A 67 -4.168 -6.384 5.455 1.00 14.23 H new ATOM 0 HD1 PHE A 67 -6.678 -7.998 7.775 1.00 75.32 H new ATOM 0 HD2 PHE A 67 -4.929 -7.909 3.846 1.00 61.12 H new ATOM 0 HE1 PHE A 67 -8.125 -9.894 7.093 1.00 23.33 H new ATOM 0 HE2 PHE A 67 -6.427 -9.764 3.140 1.00 35.30 H new ATOM 0 HZ PHE A 67 -8.007 -10.773 4.774 1.00 0.51 H new ATOM 1024 N ASP A 68 -3.076 -9.245 7.694 1.00 74.51 N ATOM 1025 CA ASP A 68 -2.159 -10.350 7.464 1.00 64.21 C ATOM 1026 C ASP A 68 -2.734 -11.288 6.398 1.00 41.13 C ATOM 1027 O ASP A 68 -3.382 -12.297 6.674 1.00 14.42 O ATOM 1028 CB ASP A 68 -1.755 -10.998 8.795 1.00 23.15 C ATOM 1029 CG ASP A 68 -2.768 -11.870 9.547 1.00 42.33 C ATOM 1030 OD1 ASP A 68 -3.977 -11.551 9.554 1.00 44.43 O ATOM 1031 OD2 ASP A 68 -2.294 -12.815 10.230 1.00 33.12 O ATOM 0 H ASP A 68 -3.882 -9.507 8.261 1.00 74.51 H new ATOM 0 HA ASP A 68 -1.215 -10.001 7.045 1.00 64.21 H new ATOM 0 HB2 ASP A 68 -0.873 -11.610 8.606 1.00 23.15 H new ATOM 0 HB3 ASP A 68 -1.449 -10.198 9.469 1.00 23.15 H new ATOM 1036 N GLY A 69 -2.519 -10.931 5.132 1.00 41.23 N ATOM 1037 CA GLY A 69 -3.123 -11.559 3.969 1.00 71.34 C ATOM 1038 C GLY A 69 -2.317 -12.775 3.537 1.00 71.21 C ATOM 1039 O GLY A 69 -2.105 -12.969 2.340 1.00 22.42 O ATOM 0 H GLY A 69 -1.893 -10.165 4.884 1.00 41.23 H new ATOM 0 HA2 GLY A 69 -4.146 -11.857 4.200 1.00 71.34 H new ATOM 0 HA3 GLY A 69 -3.178 -10.842 3.149 1.00 71.34 H new ATOM 1043 N GLY A 70 -1.850 -13.586 4.489 1.00 13.31 N ATOM 1044 CA GLY A 70 -1.056 -14.768 4.211 1.00 54.01 C ATOM 1045 C GLY A 70 0.341 -14.354 3.774 1.00 54.02 C ATOM 1046 O GLY A 70 1.223 -14.172 4.609 1.00 61.50 O ATOM 0 H GLY A 70 -2.019 -13.432 5.483 1.00 13.31 H new ATOM 0 HA2 GLY A 70 -0.998 -15.397 5.099 1.00 54.01 H new ATOM 0 HA3 GLY A 70 -1.531 -15.362 3.430 1.00 54.01 H new ATOM 1050 N TRP A 71 0.549 -14.141 2.476 1.00 20.33 N ATOM 1051 CA TRP A 71 1.865 -13.821 1.935 1.00 15.44 C ATOM 1052 C TRP A 71 2.261 -12.351 2.110 1.00 43.34 C ATOM 1053 O TRP A 71 3.326 -11.954 1.636 1.00 63.23 O ATOM 1054 CB TRP A 71 1.956 -14.267 0.468 1.00 64.21 C ATOM 1055 CG TRP A 71 0.978 -13.740 -0.550 1.00 42.34 C ATOM 1056 CD1 TRP A 71 -0.259 -14.237 -0.788 1.00 64.50 C ATOM 1057 CD2 TRP A 71 1.199 -12.731 -1.591 1.00 31.14 C ATOM 1058 NE1 TRP A 71 -0.813 -13.600 -1.884 1.00 13.45 N ATOM 1059 CE2 TRP A 71 0.055 -12.687 -2.441 1.00 20.24 C ATOM 1060 CE3 TRP A 71 2.266 -11.872 -1.927 1.00 1.14 C ATOM 1061 CZ2 TRP A 71 -0.022 -11.851 -3.568 1.00 33.15 C ATOM 1062 CZ3 TRP A 71 2.193 -11.014 -3.041 1.00 61.51 C ATOM 1063 CH2 TRP A 71 1.059 -11.002 -3.874 1.00 75.20 C ATOM 0 H TRP A 71 -0.189 -14.186 1.773 1.00 20.33 H new ATOM 0 HA TRP A 71 2.594 -14.381 2.521 1.00 15.44 H new ATOM 0 HB2 TRP A 71 2.956 -14.014 0.116 1.00 64.21 H new ATOM 0 HB3 TRP A 71 1.879 -15.354 0.456 1.00 64.21 H new ATOM 0 HD1 TRP A 71 -0.740 -15.013 -0.210 1.00 64.50 H new ATOM 0 HE1 TRP A 71 -1.752 -13.784 -2.237 1.00 13.45 H new ATOM 0 HE3 TRP A 71 3.157 -11.872 -1.317 1.00 1.14 H new ATOM 0 HZ2 TRP A 71 -0.902 -11.860 -4.194 1.00 33.15 H new ATOM 0 HZ3 TRP A 71 3.020 -10.355 -3.260 1.00 61.51 H new ATOM 0 HH2 TRP A 71 1.018 -10.351 -4.735 1.00 75.20 H new ATOM 1074 N TYR A 72 1.427 -11.521 2.735 1.00 55.31 N ATOM 1075 CA TYR A 72 1.504 -10.079 2.604 1.00 54.01 C ATOM 1076 C TYR A 72 1.015 -9.458 3.912 1.00 63.53 C ATOM 1077 O TYR A 72 -0.184 -9.489 4.204 1.00 53.12 O ATOM 1078 CB TYR A 72 0.668 -9.709 1.376 1.00 0.22 C ATOM 1079 CG TYR A 72 0.818 -8.289 0.890 1.00 35.35 C ATOM 1080 CD1 TYR A 72 1.871 -7.952 0.023 1.00 43.13 C ATOM 1081 CD2 TYR A 72 -0.112 -7.314 1.277 1.00 33.11 C ATOM 1082 CE1 TYR A 72 2.036 -6.624 -0.407 1.00 13.11 C ATOM 1083 CE2 TYR A 72 0.037 -5.991 0.845 1.00 32.42 C ATOM 1084 CZ TYR A 72 1.130 -5.637 0.027 1.00 15.24 C ATOM 1085 OH TYR A 72 1.348 -4.330 -0.262 1.00 62.52 O ATOM 0 H TYR A 72 0.677 -11.839 3.349 1.00 55.31 H new ATOM 0 HA TYR A 72 2.513 -9.699 2.446 1.00 54.01 H new ATOM 0 HB2 TYR A 72 0.933 -10.383 0.561 1.00 0.22 H new ATOM 0 HB3 TYR A 72 -0.382 -9.886 1.607 1.00 0.22 H new ATOM 0 HD1 TYR A 72 2.556 -8.716 -0.314 1.00 43.13 H new ATOM 0 HD2 TYR A 72 -0.945 -7.584 1.909 1.00 33.11 H new ATOM 0 HE1 TYR A 72 2.851 -6.363 -1.065 1.00 13.11 H new ATOM 0 HE2 TYR A 72 -0.684 -5.242 1.138 1.00 32.42 H new ATOM 0 HH TYR A 72 1.932 -4.261 -1.046 1.00 62.52 H new ATOM 1095 N LEU A 73 1.948 -8.971 4.732 1.00 40.11 N ATOM 1096 CA LEU A 73 1.705 -8.505 6.102 1.00 40.13 C ATOM 1097 C LEU A 73 1.766 -6.984 6.194 1.00 73.41 C ATOM 1098 O LEU A 73 2.862 -6.417 6.220 1.00 73.44 O ATOM 1099 CB LEU A 73 2.728 -9.113 7.075 1.00 51.24 C ATOM 1100 CG LEU A 73 2.551 -8.606 8.528 1.00 23.31 C ATOM 1101 CD1 LEU A 73 1.163 -8.896 9.111 1.00 20.31 C ATOM 1102 CD2 LEU A 73 3.617 -9.236 9.420 1.00 22.34 C ATOM 0 H LEU A 73 2.926 -8.887 4.454 1.00 40.11 H new ATOM 0 HA LEU A 73 0.703 -8.832 6.379 1.00 40.13 H new ATOM 0 HB2 LEU A 73 2.635 -10.199 7.060 1.00 51.24 H new ATOM 0 HB3 LEU A 73 3.735 -8.874 6.732 1.00 51.24 H new ATOM 0 HG LEU A 73 2.659 -7.522 8.497 1.00 23.31 H new ATOM 0 HD11 LEU A 73 1.109 -8.514 10.130 1.00 20.31 H new ATOM 0 HD12 LEU A 73 0.403 -8.409 8.500 1.00 20.31 H new ATOM 0 HD13 LEU A 73 0.989 -9.972 9.117 1.00 20.31 H new ATOM 0 HD21 LEU A 73 3.493 -8.880 10.443 1.00 22.34 H new ATOM 0 HD22 LEU A 73 3.514 -10.321 9.399 1.00 22.34 H new ATOM 0 HD23 LEU A 73 4.606 -8.958 9.056 1.00 22.34 H new ATOM 1114 N VAL A 74 0.620 -6.318 6.290 1.00 63.33 N ATOM 1115 CA VAL A 74 0.516 -4.864 6.338 1.00 21.15 C ATOM 1116 C VAL A 74 0.406 -4.456 7.808 1.00 20.35 C ATOM 1117 O VAL A 74 -0.317 -5.110 8.566 1.00 53.03 O ATOM 1118 CB VAL A 74 -0.675 -4.380 5.471 1.00 14.04 C ATOM 1119 CG1 VAL A 74 -0.502 -2.888 5.145 1.00 41.10 C ATOM 1120 CG2 VAL A 74 -0.652 -5.077 4.102 1.00 52.33 C ATOM 0 H VAL A 74 -0.285 -6.786 6.338 1.00 63.33 H new ATOM 0 HA VAL A 74 1.398 -4.384 5.914 1.00 21.15 H new ATOM 0 HB VAL A 74 -1.589 -4.589 6.026 1.00 14.04 H new ATOM 0 HG11 VAL A 74 -1.340 -2.549 4.536 1.00 41.10 H new ATOM 0 HG12 VAL A 74 -0.472 -2.314 6.071 1.00 41.10 H new ATOM 0 HG13 VAL A 74 0.428 -2.741 4.597 1.00 41.10 H new ATOM 0 HG21 VAL A 74 -1.493 -4.729 3.502 1.00 52.33 H new ATOM 0 HG22 VAL A 74 0.281 -4.842 3.590 1.00 52.33 H new ATOM 0 HG23 VAL A 74 -0.727 -6.155 4.241 1.00 52.33 H new ATOM 1130 N LYS A 75 1.154 -3.425 8.221 1.00 13.12 N ATOM 1131 CA LYS A 75 1.135 -2.849 9.563 1.00 60.20 C ATOM 1132 C LYS A 75 1.192 -1.332 9.427 1.00 32.34 C ATOM 1133 O LYS A 75 2.084 -0.800 8.764 1.00 62.22 O ATOM 1134 CB LYS A 75 2.318 -3.364 10.406 1.00 73.33 C ATOM 1135 CG LYS A 75 2.021 -4.748 11.005 1.00 34.53 C ATOM 1136 CD LYS A 75 3.184 -5.351 11.811 1.00 23.54 C ATOM 1137 CE LYS A 75 4.305 -5.890 10.911 1.00 33.35 C ATOM 1138 NZ LYS A 75 5.475 -6.392 11.673 1.00 42.22 N ATOM 0 H LYS A 75 1.813 -2.954 7.602 1.00 13.12 H new ATOM 0 HA LYS A 75 0.222 -3.147 10.078 1.00 60.20 H new ATOM 0 HB2 LYS A 75 3.212 -3.419 9.785 1.00 73.33 H new ATOM 0 HB3 LYS A 75 2.530 -2.657 11.208 1.00 73.33 H new ATOM 0 HG2 LYS A 75 1.147 -4.671 11.652 1.00 34.53 H new ATOM 0 HG3 LYS A 75 1.761 -5.432 10.198 1.00 34.53 H new ATOM 0 HD2 LYS A 75 3.592 -4.592 12.478 1.00 23.54 H new ATOM 0 HD3 LYS A 75 2.807 -6.158 12.439 1.00 23.54 H new ATOM 0 HE2 LYS A 75 3.910 -6.695 10.292 1.00 33.35 H new ATOM 0 HE3 LYS A 75 4.631 -5.100 10.235 1.00 33.35 H new ATOM 0 HZ1 LYS A 75 6.196 -6.742 11.011 1.00 42.22 H new ATOM 0 HZ2 LYS A 75 5.874 -5.620 12.244 1.00 42.22 H new ATOM 0 HZ3 LYS A 75 5.175 -7.166 12.299 1.00 42.22 H new ATOM 1152 N ILE A 76 0.227 -0.646 10.036 1.00 62.12 N ATOM 1153 CA ILE A 76 0.242 0.778 10.304 1.00 51.41 C ATOM 1154 C ILE A 76 0.781 0.891 11.722 1.00 21.41 C ATOM 1155 O ILE A 76 0.265 0.279 12.665 1.00 73.53 O ATOM 1156 CB ILE A 76 -1.166 1.406 10.159 1.00 14.24 C ATOM 1157 CG1 ILE A 76 -1.586 1.381 8.674 1.00 32.23 C ATOM 1158 CG2 ILE A 76 -1.187 2.851 10.702 1.00 20.52 C ATOM 1159 CD1 ILE A 76 -3.041 1.783 8.415 1.00 43.33 C ATOM 0 H ILE A 76 -0.625 -1.096 10.370 1.00 62.12 H new ATOM 0 HA ILE A 76 0.858 1.326 9.591 1.00 51.41 H new ATOM 0 HB ILE A 76 -1.874 0.822 10.746 1.00 14.24 H new ATOM 0 HG12 ILE A 76 -0.933 2.050 8.114 1.00 32.23 H new ATOM 0 HG13 ILE A 76 -1.425 0.377 8.282 1.00 32.23 H new ATOM 0 HG21 ILE A 76 -2.188 3.268 10.588 1.00 20.52 H new ATOM 0 HG22 ILE A 76 -0.914 2.847 11.757 1.00 20.52 H new ATOM 0 HG23 ILE A 76 -0.475 3.459 10.145 1.00 20.52 H new ATOM 0 HD11 ILE A 76 -3.246 1.736 7.346 1.00 43.33 H new ATOM 0 HD12 ILE A 76 -3.707 1.100 8.942 1.00 43.33 H new ATOM 0 HD13 ILE A 76 -3.207 2.799 8.772 1.00 43.33 H new ATOM 1171 N GLU A 77 1.830 1.681 11.857 1.00 54.23 N ATOM 1172 CA GLU A 77 2.394 2.179 13.092 1.00 13.22 C ATOM 1173 C GLU A 77 2.103 3.691 13.130 1.00 0.41 C ATOM 1174 O GLU A 77 1.318 4.201 12.323 1.00 74.20 O ATOM 1175 CB GLU A 77 3.884 1.771 13.109 1.00 75.32 C ATOM 1176 CG GLU A 77 4.046 0.246 13.327 1.00 2.24 C ATOM 1177 CD GLU A 77 5.198 -0.400 12.555 1.00 31.21 C ATOM 1178 OE1 GLU A 77 6.339 0.112 12.583 1.00 23.21 O ATOM 1179 OE2 GLU A 77 4.965 -1.480 11.960 1.00 74.52 O ATOM 0 H GLU A 77 2.347 2.015 11.043 1.00 54.23 H new ATOM 0 HA GLU A 77 1.965 1.763 14.004 1.00 13.22 H new ATOM 0 HB2 GLU A 77 4.353 2.058 12.168 1.00 75.32 H new ATOM 0 HB3 GLU A 77 4.402 2.311 13.901 1.00 75.32 H new ATOM 0 HG2 GLU A 77 4.193 0.060 14.391 1.00 2.24 H new ATOM 0 HG3 GLU A 77 3.116 -0.247 13.042 1.00 2.24 H new ATOM 1186 N ASP A 78 2.700 4.404 14.086 1.00 42.03 N ATOM 1187 CA ASP A 78 2.384 5.787 14.486 1.00 32.41 C ATOM 1188 C ASP A 78 2.187 6.713 13.288 1.00 41.23 C ATOM 1189 O ASP A 78 1.102 7.257 13.079 1.00 71.24 O ATOM 1190 CB ASP A 78 3.506 6.327 15.366 1.00 61.44 C ATOM 1191 CG ASP A 78 3.163 7.657 16.018 1.00 33.52 C ATOM 1192 OD1 ASP A 78 2.198 7.668 16.811 1.00 31.34 O ATOM 1193 OD2 ASP A 78 3.943 8.625 15.881 1.00 43.23 O ATOM 0 H ASP A 78 3.463 4.013 14.638 1.00 42.03 H new ATOM 0 HA ASP A 78 1.443 5.761 15.035 1.00 32.41 H new ATOM 0 HB2 ASP A 78 3.735 5.597 16.142 1.00 61.44 H new ATOM 0 HB3 ASP A 78 4.407 6.446 14.764 1.00 61.44 H new ATOM 1198 N ASN A 79 3.228 6.842 12.469 1.00 43.10 N ATOM 1199 CA ASN A 79 3.214 7.551 11.197 1.00 32.43 C ATOM 1200 C ASN A 79 4.167 6.885 10.197 1.00 10.25 C ATOM 1201 O ASN A 79 4.684 7.528 9.279 1.00 42.42 O ATOM 1202 CB ASN A 79 3.545 9.035 11.383 1.00 45.42 C ATOM 1203 CG ASN A 79 5.032 9.271 11.610 1.00 22.11 C ATOM 1204 OD1 ASN A 79 5.749 8.472 12.217 1.00 54.33 O ATOM 1205 ND2 ASN A 79 5.558 10.339 11.041 1.00 32.22 N ATOM 0 H ASN A 79 4.140 6.438 12.684 1.00 43.10 H new ATOM 0 HA ASN A 79 2.205 7.494 10.789 1.00 32.43 H new ATOM 0 HB2 ASN A 79 3.221 9.590 10.503 1.00 45.42 H new ATOM 0 HB3 ASN A 79 2.984 9.427 12.231 1.00 45.42 H new ATOM 0 HD21 ASN A 79 6.562 10.507 11.102 1.00 32.22 H new ATOM 0 HD22 ASN A 79 4.960 10.997 10.540 1.00 32.22 H new ATOM 1212 N GLU A 80 4.415 5.589 10.377 1.00 45.23 N ATOM 1213 CA GLU A 80 5.002 4.739 9.361 1.00 10.13 C ATOM 1214 C GLU A 80 4.006 3.623 9.072 1.00 44.23 C ATOM 1215 O GLU A 80 3.385 3.080 9.981 1.00 71.54 O ATOM 1216 CB GLU A 80 6.361 4.195 9.823 1.00 64.32 C ATOM 1217 CG GLU A 80 7.437 5.292 9.891 1.00 41.24 C ATOM 1218 CD GLU A 80 8.835 4.763 10.235 1.00 2.32 C ATOM 1219 OE1 GLU A 80 8.972 3.687 10.857 1.00 12.43 O ATOM 1220 OE2 GLU A 80 9.824 5.428 9.843 1.00 44.40 O ATOM 0 H GLU A 80 4.208 5.100 11.248 1.00 45.23 H new ATOM 0 HA GLU A 80 5.197 5.301 8.448 1.00 10.13 H new ATOM 0 HB2 GLU A 80 6.251 3.736 10.805 1.00 64.32 H new ATOM 0 HB3 GLU A 80 6.687 3.411 9.140 1.00 64.32 H new ATOM 0 HG2 GLU A 80 7.479 5.807 8.931 1.00 41.24 H new ATOM 0 HG3 GLU A 80 7.144 6.031 10.637 1.00 41.24 H new ATOM 1227 N LEU A 81 3.803 3.321 7.797 1.00 42.34 N ATOM 1228 CA LEU A 81 3.058 2.196 7.274 1.00 75.51 C ATOM 1229 C LEU A 81 4.066 1.404 6.473 1.00 40.31 C ATOM 1230 O LEU A 81 4.934 1.967 5.802 1.00 11.02 O ATOM 1231 CB LEU A 81 1.874 2.724 6.456 1.00 72.32 C ATOM 1232 CG LEU A 81 1.111 1.798 5.487 1.00 21.25 C ATOM 1233 CD1 LEU A 81 1.696 1.834 4.078 1.00 33.25 C ATOM 1234 CD2 LEU A 81 0.845 0.364 5.946 1.00 33.25 C ATOM 0 H LEU A 81 4.185 3.902 7.051 1.00 42.34 H new ATOM 0 HA LEU A 81 2.616 1.550 8.033 1.00 75.51 H new ATOM 0 HB2 LEU A 81 1.145 3.118 7.164 1.00 72.32 H new ATOM 0 HB3 LEU A 81 2.239 3.569 5.872 1.00 72.32 H new ATOM 0 HG LEU A 81 0.115 2.242 5.480 1.00 21.25 H new ATOM 0 HD11 LEU A 81 1.127 1.167 3.431 1.00 33.25 H new ATOM 0 HD12 LEU A 81 1.643 2.850 3.688 1.00 33.25 H new ATOM 0 HD13 LEU A 81 2.736 1.510 4.108 1.00 33.25 H new ATOM 0 HD21 LEU A 81 0.302 -0.172 5.168 1.00 33.25 H new ATOM 0 HD22 LEU A 81 1.793 -0.138 6.139 1.00 33.25 H new ATOM 0 HD23 LEU A 81 0.250 0.379 6.859 1.00 33.25 H new ATOM 1246 N LYS A 82 4.035 0.095 6.629 1.00 40.13 N ATOM 1247 CA LYS A 82 5.026 -0.791 6.061 1.00 35.53 C ATOM 1248 C LYS A 82 4.391 -2.147 5.838 1.00 20.55 C ATOM 1249 O LYS A 82 3.431 -2.528 6.518 1.00 15.12 O ATOM 1250 CB LYS A 82 6.241 -0.844 6.998 1.00 21.12 C ATOM 1251 CG LYS A 82 5.879 -1.062 8.478 1.00 54.13 C ATOM 1252 CD LYS A 82 7.055 -0.753 9.394 1.00 24.43 C ATOM 1253 CE LYS A 82 7.257 0.759 9.568 1.00 12.04 C ATOM 1254 NZ LYS A 82 8.093 1.083 10.741 1.00 20.22 N ATOM 0 H LYS A 82 3.310 -0.387 7.161 1.00 40.13 H new ATOM 0 HA LYS A 82 5.380 -0.433 5.094 1.00 35.53 H new ATOM 0 HB2 LYS A 82 6.902 -1.647 6.674 1.00 21.12 H new ATOM 0 HB3 LYS A 82 6.800 0.087 6.904 1.00 21.12 H new ATOM 0 HG2 LYS A 82 5.034 -0.427 8.744 1.00 54.13 H new ATOM 0 HG3 LYS A 82 5.562 -2.094 8.627 1.00 54.13 H new ATOM 0 HD2 LYS A 82 6.888 -1.212 10.368 1.00 24.43 H new ATOM 0 HD3 LYS A 82 7.962 -1.197 8.984 1.00 24.43 H new ATOM 0 HE2 LYS A 82 7.722 1.167 8.670 1.00 12.04 H new ATOM 0 HE3 LYS A 82 6.286 1.243 9.672 1.00 12.04 H new ATOM 0 HZ1 LYS A 82 8.467 2.049 10.645 1.00 20.22 H new ATOM 0 HZ2 LYS A 82 7.518 1.019 11.605 1.00 20.22 H new ATOM 0 HZ3 LYS A 82 8.884 0.410 10.800 1.00 20.22 H new ATOM 1268 N VAL A 83 4.956 -2.895 4.905 1.00 24.45 N ATOM 1269 CA VAL A 83 4.471 -4.210 4.546 1.00 41.33 C ATOM 1270 C VAL A 83 5.666 -5.124 4.357 1.00 51.24 C ATOM 1271 O VAL A 83 6.688 -4.659 3.842 1.00 33.31 O ATOM 1272 CB VAL A 83 3.528 -4.115 3.331 1.00 3.04 C ATOM 1273 CG1 VAL A 83 4.106 -3.400 2.097 1.00 21.31 C ATOM 1274 CG2 VAL A 83 3.042 -5.496 2.896 1.00 4.45 C ATOM 0 H VAL A 83 5.774 -2.599 4.372 1.00 24.45 H new ATOM 0 HA VAL A 83 3.862 -4.648 5.337 1.00 41.33 H new ATOM 0 HB VAL A 83 2.706 -3.500 3.697 1.00 3.04 H new ATOM 0 HG11 VAL A 83 3.361 -3.389 1.301 1.00 21.31 H new ATOM 0 HG12 VAL A 83 4.371 -2.376 2.361 1.00 21.31 H new ATOM 0 HG13 VAL A 83 4.996 -3.928 1.754 1.00 21.31 H new ATOM 0 HG21 VAL A 83 2.379 -5.394 2.037 1.00 4.45 H new ATOM 0 HG22 VAL A 83 3.898 -6.113 2.623 1.00 4.45 H new ATOM 0 HG23 VAL A 83 2.502 -5.967 3.717 1.00 4.45 H new ATOM 1284 N ILE A 84 5.533 -6.386 4.777 1.00 41.23 N ATOM 1285 CA ILE A 84 6.500 -7.439 4.529 1.00 61.52 C ATOM 1286 C ILE A 84 5.811 -8.404 3.571 1.00 14.42 C ATOM 1287 O ILE A 84 4.617 -8.688 3.699 1.00 34.42 O ATOM 1288 CB ILE A 84 6.933 -8.100 5.857 1.00 31.55 C ATOM 1289 CG1 ILE A 84 7.676 -7.086 6.759 1.00 60.52 C ATOM 1290 CG2 ILE A 84 7.844 -9.318 5.598 1.00 73.22 C ATOM 1291 CD1 ILE A 84 7.614 -7.454 8.241 1.00 62.34 C ATOM 0 H ILE A 84 4.725 -6.703 5.313 1.00 41.23 H new ATOM 0 HA ILE A 84 7.425 -7.069 4.086 1.00 61.52 H new ATOM 0 HB ILE A 84 6.029 -8.436 6.365 1.00 31.55 H new ATOM 0 HG12 ILE A 84 8.719 -7.026 6.448 1.00 60.52 H new ATOM 0 HG13 ILE A 84 7.244 -6.096 6.617 1.00 60.52 H new ATOM 0 HG21 ILE A 84 8.134 -9.764 6.549 1.00 73.22 H new ATOM 0 HG22 ILE A 84 7.306 -10.054 5.001 1.00 73.22 H new ATOM 0 HG23 ILE A 84 8.736 -8.997 5.061 1.00 73.22 H new ATOM 0 HD11 ILE A 84 8.152 -6.707 8.824 1.00 62.34 H new ATOM 0 HD12 ILE A 84 6.574 -7.487 8.565 1.00 62.34 H new ATOM 0 HD13 ILE A 84 8.072 -8.431 8.393 1.00 62.34 H new ATOM 1303 N ILE A 85 6.556 -8.886 2.583 1.00 11.45 N ATOM 1304 CA ILE A 85 6.037 -9.675 1.473 1.00 43.12 C ATOM 1305 C ILE A 85 6.821 -10.981 1.487 1.00 73.13 C ATOM 1306 O ILE A 85 8.046 -10.955 1.625 1.00 54.23 O ATOM 1307 CB ILE A 85 6.180 -8.879 0.153 1.00 51.12 C ATOM 1308 CG1 ILE A 85 5.518 -7.492 0.311 1.00 40.40 C ATOM 1309 CG2 ILE A 85 5.564 -9.677 -1.011 1.00 34.42 C ATOM 1310 CD1 ILE A 85 5.567 -6.602 -0.923 1.00 40.24 C ATOM 0 H ILE A 85 7.563 -8.735 2.531 1.00 11.45 H new ATOM 0 HA ILE A 85 4.973 -9.894 1.563 1.00 43.12 H new ATOM 0 HB ILE A 85 7.235 -8.725 -0.075 1.00 51.12 H new ATOM 0 HG12 ILE A 85 4.475 -7.636 0.593 1.00 40.40 H new ATOM 0 HG13 ILE A 85 6.002 -6.969 1.135 1.00 40.40 H new ATOM 0 HG21 ILE A 85 5.669 -9.110 -1.936 1.00 34.42 H new ATOM 0 HG22 ILE A 85 6.080 -10.632 -1.110 1.00 34.42 H new ATOM 0 HG23 ILE A 85 4.507 -9.854 -0.812 1.00 34.42 H new ATOM 0 HD11 ILE A 85 5.076 -5.653 -0.707 1.00 40.24 H new ATOM 0 HD12 ILE A 85 6.606 -6.419 -1.198 1.00 40.24 H new ATOM 0 HD13 ILE A 85 5.055 -7.096 -1.749 1.00 40.24 H new ATOM 1322 N ASN A 86 6.116 -12.108 1.393 1.00 15.25 N ATOM 1323 CA ASN A 86 6.713 -13.437 1.442 1.00 41.24 C ATOM 1324 C ASN A 86 7.081 -13.882 0.040 1.00 52.41 C ATOM 1325 O ASN A 86 6.540 -13.406 -0.965 1.00 35.31 O ATOM 1326 CB ASN A 86 5.777 -14.486 2.070 1.00 72.52 C ATOM 1327 CG ASN A 86 5.657 -14.359 3.579 1.00 22.55 C ATOM 1328 OD1 ASN A 86 5.953 -15.291 4.322 1.00 61.52 O ATOM 1329 ND2 ASN A 86 5.199 -13.219 4.058 1.00 23.32 N ATOM 0 H ASN A 86 5.102 -12.121 1.279 1.00 15.25 H new ATOM 0 HA ASN A 86 7.600 -13.365 2.072 1.00 41.24 H new ATOM 0 HB2 ASN A 86 4.787 -14.392 1.625 1.00 72.52 H new ATOM 0 HB3 ASN A 86 6.143 -15.483 1.824 1.00 72.52 H new ATOM 0 HD21 ASN A 86 5.084 -13.098 5.064 1.00 23.32 H new ATOM 0 HD22 ASN A 86 4.959 -12.458 3.422 1.00 23.32 H new ATOM 1336 N ARG A 87 7.957 -14.873 0.003 1.00 14.25 N ATOM 1337 CA ARG A 87 8.490 -15.485 -1.200 1.00 51.21 C ATOM 1338 C ARG A 87 7.370 -16.155 -1.985 1.00 1.14 C ATOM 1339 O ARG A 87 6.483 -16.787 -1.405 1.00 0.41 O ATOM 1340 CB ARG A 87 9.630 -16.425 -0.779 1.00 34.43 C ATOM 1341 CG ARG A 87 10.247 -17.237 -1.919 1.00 13.35 C ATOM 1342 CD ARG A 87 9.619 -18.636 -2.115 1.00 72.31 C ATOM 1343 NE ARG A 87 10.519 -19.774 -1.835 1.00 31.25 N ATOM 1344 CZ ARG A 87 11.763 -19.981 -2.290 1.00 44.20 C ATOM 1345 NH1 ARG A 87 12.315 -19.187 -3.201 1.00 44.10 N ATOM 1346 NH2 ARG A 87 12.478 -20.990 -1.813 1.00 52.44 N ATOM 0 H ARG A 87 8.333 -15.292 0.854 1.00 14.25 H new ATOM 0 HA ARG A 87 8.911 -14.750 -1.886 1.00 51.21 H new ATOM 0 HB2 ARG A 87 10.415 -15.833 -0.308 1.00 34.43 H new ATOM 0 HB3 ARG A 87 9.253 -17.114 -0.023 1.00 34.43 H new ATOM 0 HG2 ARG A 87 10.147 -16.673 -2.847 1.00 13.35 H new ATOM 0 HG3 ARG A 87 11.314 -17.354 -1.730 1.00 13.35 H new ATOM 0 HD2 ARG A 87 8.744 -18.718 -1.470 1.00 72.31 H new ATOM 0 HD3 ARG A 87 9.265 -18.717 -3.143 1.00 72.31 H new ATOM 0 HE ARG A 87 10.146 -20.494 -1.216 1.00 31.25 H new ATOM 0 HH11 ARG A 87 11.790 -18.395 -3.573 1.00 44.10 H new ATOM 0 HH12 ARG A 87 13.264 -19.369 -3.529 1.00 44.10 H new ATOM 0 HH21 ARG A 87 12.081 -21.605 -1.103 1.00 52.44 H new ATOM 0 HH22 ARG A 87 13.425 -21.151 -2.156 1.00 52.44 H new ATOM 1360 N ASN A 88 7.379 -15.979 -3.300 1.00 23.24 N ATOM 1361 CA ASN A 88 6.453 -16.595 -4.235 1.00 51.32 C ATOM 1362 C ASN A 88 6.991 -17.970 -4.604 1.00 43.22 C ATOM 1363 O ASN A 88 8.152 -18.068 -4.983 1.00 74.13 O ATOM 1364 CB ASN A 88 6.339 -15.712 -5.491 1.00 40.10 C ATOM 1365 CG ASN A 88 5.362 -16.228 -6.531 1.00 64.31 C ATOM 1366 OD1 ASN A 88 4.664 -17.222 -6.355 1.00 23.54 O ATOM 1367 ND2 ASN A 88 5.241 -15.504 -7.624 1.00 24.44 N ATOM 0 H ASN A 88 8.061 -15.377 -3.761 1.00 23.24 H new ATOM 0 HA ASN A 88 5.464 -16.696 -3.788 1.00 51.32 H new ATOM 0 HB2 ASN A 88 6.035 -14.710 -5.190 1.00 40.10 H new ATOM 0 HB3 ASN A 88 7.324 -15.622 -5.948 1.00 40.10 H new ATOM 0 HD21 ASN A 88 4.561 -15.767 -8.337 1.00 24.44 H new ATOM 0 HD22 ASN A 88 5.827 -14.680 -7.758 1.00 24.44 H new ATOM 1374 N GLU A 89 6.173 -19.012 -4.513 1.00 62.32 N ATOM 1375 CA GLU A 89 6.528 -20.382 -4.873 1.00 24.34 C ATOM 1376 C GLU A 89 6.085 -20.755 -6.296 1.00 15.25 C ATOM 1377 O GLU A 89 6.235 -21.908 -6.691 1.00 22.54 O ATOM 1378 CB GLU A 89 5.953 -21.363 -3.835 1.00 4.02 C ATOM 1379 CG GLU A 89 4.458 -21.171 -3.532 1.00 32.53 C ATOM 1380 CD GLU A 89 3.662 -22.478 -3.608 1.00 55.01 C ATOM 1381 OE1 GLU A 89 4.015 -23.449 -2.914 1.00 2.12 O ATOM 1382 OE2 GLU A 89 2.671 -22.518 -4.389 1.00 4.05 O ATOM 0 H GLU A 89 5.214 -18.925 -4.176 1.00 62.32 H new ATOM 0 HA GLU A 89 7.616 -20.452 -4.866 1.00 24.34 H new ATOM 0 HB2 GLU A 89 6.110 -22.381 -4.191 1.00 4.02 H new ATOM 0 HB3 GLU A 89 6.515 -21.259 -2.907 1.00 4.02 H new ATOM 0 HG2 GLU A 89 4.346 -20.741 -2.537 1.00 32.53 H new ATOM 0 HG3 GLU A 89 4.038 -20.454 -4.238 1.00 32.53 H new ATOM 1389 N THR A 90 5.520 -19.836 -7.083 1.00 53.31 N ATOM 1390 CA THR A 90 4.912 -20.163 -8.369 1.00 31.32 C ATOM 1391 C THR A 90 5.466 -19.312 -9.506 1.00 31.42 C ATOM 1392 O THR A 90 5.761 -18.131 -9.335 1.00 53.14 O ATOM 1393 CB THR A 90 3.375 -20.083 -8.277 1.00 40.40 C ATOM 1394 OG1 THR A 90 2.881 -18.810 -7.881 1.00 61.32 O ATOM 1395 CG2 THR A 90 2.823 -21.114 -7.297 1.00 1.32 C ATOM 0 H THR A 90 5.473 -18.846 -6.844 1.00 53.31 H new ATOM 0 HA THR A 90 5.180 -21.192 -8.609 1.00 31.32 H new ATOM 0 HB THR A 90 3.035 -20.281 -9.294 1.00 40.40 H new ATOM 0 HG1 THR A 90 3.560 -18.347 -7.347 1.00 61.32 H new ATOM 0 HG21 THR A 90 1.737 -21.031 -7.255 1.00 1.32 H new ATOM 0 HG22 THR A 90 3.098 -22.115 -7.629 1.00 1.32 H new ATOM 0 HG23 THR A 90 3.239 -20.933 -6.306 1.00 1.32 H new ATOM 1403 N ASN A 91 5.495 -19.901 -10.702 1.00 73.22 N ATOM 1404 CA ASN A 91 5.849 -19.254 -11.966 1.00 15.34 C ATOM 1405 C ASN A 91 4.866 -18.172 -12.436 1.00 74.11 C ATOM 1406 O ASN A 91 5.064 -17.624 -13.518 1.00 21.24 O ATOM 1407 CB ASN A 91 6.046 -20.316 -13.060 1.00 44.43 C ATOM 1408 CG ASN A 91 4.779 -20.658 -13.836 1.00 3.31 C ATOM 1409 OD1 ASN A 91 4.722 -20.510 -15.051 1.00 14.44 O ATOM 1410 ND2 ASN A 91 3.766 -21.182 -13.181 1.00 73.53 N ATOM 0 H ASN A 91 5.262 -20.887 -10.821 1.00 73.22 H new ATOM 0 HA ASN A 91 6.782 -18.724 -11.775 1.00 15.34 H new ATOM 0 HB2 ASN A 91 6.803 -19.964 -13.760 1.00 44.43 H new ATOM 0 HB3 ASN A 91 6.434 -21.226 -12.602 1.00 44.43 H new ATOM 0 HD21 ASN A 91 2.926 -21.468 -13.684 1.00 73.53 H new ATOM 0 HD22 ASN A 91 3.820 -21.302 -12.170 1.00 73.53 H new ATOM 1417 N ALA A 92 3.825 -17.867 -11.656 1.00 0.43 N ATOM 1418 CA ALA A 92 2.908 -16.771 -11.915 1.00 13.01 C ATOM 1419 C ALA A 92 3.269 -15.603 -11.008 1.00 71.10 C ATOM 1420 O ALA A 92 3.496 -15.798 -9.812 1.00 13.32 O ATOM 1421 CB ALA A 92 1.480 -17.228 -11.629 1.00 21.44 C ATOM 0 H ALA A 92 3.598 -18.391 -10.811 1.00 0.43 H new ATOM 0 HA ALA A 92 2.981 -16.460 -12.957 1.00 13.01 H new ATOM 0 HB1 ALA A 92 0.790 -16.407 -11.823 1.00 21.44 H new ATOM 0 HB2 ALA A 92 1.232 -18.071 -12.274 1.00 21.44 H new ATOM 0 HB3 ALA A 92 1.398 -17.533 -10.586 1.00 21.44 H new ATOM 1427 N SER A 93 3.338 -14.399 -11.563 1.00 43.34 N ATOM 1428 CA SER A 93 3.314 -13.167 -10.809 1.00 2.25 C ATOM 1429 C SER A 93 1.880 -12.953 -10.303 1.00 23.12 C ATOM 1430 O SER A 93 0.921 -13.379 -10.957 1.00 33.21 O ATOM 1431 CB SER A 93 3.782 -12.038 -11.731 1.00 4.22 C ATOM 1432 OG SER A 93 3.457 -12.243 -13.103 1.00 34.51 O ATOM 0 H SER A 93 3.414 -14.257 -12.570 1.00 43.34 H new ATOM 0 HA SER A 93 3.979 -13.193 -9.945 1.00 2.25 H new ATOM 0 HB2 SER A 93 3.336 -11.101 -11.398 1.00 4.22 H new ATOM 0 HB3 SER A 93 4.862 -11.928 -11.636 1.00 4.22 H new ATOM 0 HG SER A 93 3.783 -11.486 -13.633 1.00 34.51 H new ATOM 1438 N ARG A 94 1.715 -12.277 -9.166 1.00 1.34 N ATOM 1439 CA ARG A 94 0.425 -12.006 -8.531 1.00 52.11 C ATOM 1440 C ARG A 94 0.461 -10.571 -8.015 1.00 3.34 C ATOM 1441 O ARG A 94 1.533 -10.115 -7.625 1.00 31.55 O ATOM 1442 CB ARG A 94 0.172 -13.027 -7.401 1.00 1.31 C ATOM 1443 CG ARG A 94 1.339 -13.210 -6.409 1.00 63.43 C ATOM 1444 CD ARG A 94 2.330 -14.339 -6.733 1.00 3.41 C ATOM 1445 NE ARG A 94 1.966 -15.621 -6.099 1.00 20.32 N ATOM 1446 CZ ARG A 94 2.178 -15.958 -4.816 1.00 31.42 C ATOM 1447 NH1 ARG A 94 2.741 -15.101 -3.966 1.00 60.22 N ATOM 1448 NH2 ARG A 94 1.837 -17.166 -4.372 1.00 43.14 N ATOM 0 H ARG A 94 2.502 -11.890 -8.644 1.00 1.34 H new ATOM 0 HA ARG A 94 -0.398 -12.111 -9.238 1.00 52.11 H new ATOM 0 HB2 ARG A 94 -0.712 -12.717 -6.844 1.00 1.31 H new ATOM 0 HB3 ARG A 94 -0.057 -13.993 -7.850 1.00 1.31 H new ATOM 0 HG2 ARG A 94 1.893 -12.273 -6.354 1.00 63.43 H new ATOM 0 HG3 ARG A 94 0.922 -13.393 -5.419 1.00 63.43 H new ATOM 0 HD2 ARG A 94 2.378 -14.474 -7.813 1.00 3.41 H new ATOM 0 HD3 ARG A 94 3.327 -14.046 -6.403 1.00 3.41 H new ATOM 0 HE ARG A 94 1.511 -16.316 -6.690 1.00 20.32 H new ATOM 0 HH11 ARG A 94 3.018 -14.173 -4.286 1.00 60.22 H new ATOM 0 HH12 ARG A 94 2.895 -15.373 -2.995 1.00 60.22 H new ATOM 0 HH21 ARG A 94 1.412 -17.842 -5.007 1.00 43.14 H new ATOM 0 HH22 ARG A 94 2.001 -17.416 -3.397 1.00 43.14 H new ATOM 1462 N SER A 95 -0.654 -9.849 -7.979 1.00 43.32 N ATOM 1463 CA SER A 95 -0.667 -8.433 -7.625 1.00 1.44 C ATOM 1464 C SER A 95 -1.616 -8.161 -6.465 1.00 60.51 C ATOM 1465 O SER A 95 -2.429 -9.000 -6.087 1.00 42.10 O ATOM 1466 CB SER A 95 -1.004 -7.574 -8.853 1.00 1.35 C ATOM 1467 OG SER A 95 -0.303 -7.969 -10.018 1.00 40.03 O ATOM 0 H SER A 95 -1.576 -10.229 -8.195 1.00 43.32 H new ATOM 0 HA SER A 95 0.332 -8.155 -7.289 1.00 1.44 H new ATOM 0 HB2 SER A 95 -2.076 -7.630 -9.045 1.00 1.35 H new ATOM 0 HB3 SER A 95 -0.773 -6.531 -8.634 1.00 1.35 H new ATOM 0 HG SER A 95 -0.558 -7.389 -10.766 1.00 40.03 H new ATOM 1473 N PHE A 96 -1.480 -6.980 -5.877 1.00 11.44 N ATOM 1474 CA PHE A 96 -2.114 -6.571 -4.634 1.00 64.51 C ATOM 1475 C PHE A 96 -2.488 -5.084 -4.710 1.00 73.20 C ATOM 1476 O PHE A 96 -2.108 -4.394 -5.663 1.00 35.15 O ATOM 1477 CB PHE A 96 -1.127 -6.858 -3.491 1.00 22.42 C ATOM 1478 CG PHE A 96 -1.632 -7.687 -2.330 1.00 75.22 C ATOM 1479 CD1 PHE A 96 -2.353 -7.100 -1.279 1.00 12.04 C ATOM 1480 CD2 PHE A 96 -1.306 -9.050 -2.268 1.00 72.33 C ATOM 1481 CE1 PHE A 96 -2.818 -7.893 -0.214 1.00 2.22 C ATOM 1482 CE2 PHE A 96 -1.752 -9.843 -1.195 1.00 12.22 C ATOM 1483 CZ PHE A 96 -2.522 -9.266 -0.172 1.00 12.44 C ATOM 0 H PHE A 96 -0.895 -6.246 -6.275 1.00 11.44 H new ATOM 0 HA PHE A 96 -3.036 -7.124 -4.456 1.00 64.51 H new ATOM 0 HB2 PHE A 96 -0.259 -7.363 -3.914 1.00 22.42 H new ATOM 0 HB3 PHE A 96 -0.779 -5.903 -3.098 1.00 22.42 H new ATOM 0 HD1 PHE A 96 -2.551 -6.038 -1.288 1.00 12.04 H new ATOM 0 HD2 PHE A 96 -0.708 -9.494 -3.050 1.00 72.33 H new ATOM 0 HE1 PHE A 96 -3.405 -7.445 0.574 1.00 2.22 H new ATOM 0 HE2 PHE A 96 -1.503 -10.893 -1.158 1.00 12.22 H new ATOM 0 HZ PHE A 96 -2.885 -9.875 0.643 1.00 12.44 H new ATOM 1493 N THR A 97 -3.232 -4.556 -3.739 1.00 73.32 N ATOM 1494 CA THR A 97 -3.384 -3.112 -3.540 1.00 54.15 C ATOM 1495 C THR A 97 -3.653 -2.823 -2.060 1.00 11.00 C ATOM 1496 O THR A 97 -4.614 -3.363 -1.497 1.00 44.44 O ATOM 1497 CB THR A 97 -4.502 -2.517 -4.421 1.00 53.04 C ATOM 1498 OG1 THR A 97 -4.450 -3.000 -5.754 1.00 74.34 O ATOM 1499 CG2 THR A 97 -4.390 -0.995 -4.489 1.00 11.13 C ATOM 0 H THR A 97 -3.749 -5.119 -3.064 1.00 73.32 H new ATOM 0 HA THR A 97 -2.453 -2.632 -3.843 1.00 54.15 H new ATOM 0 HB THR A 97 -5.440 -2.821 -3.957 1.00 53.04 H new ATOM 0 HG1 THR A 97 -3.575 -3.410 -5.919 1.00 74.34 H new ATOM 0 HG21 THR A 97 -5.189 -0.599 -5.116 1.00 11.13 H new ATOM 0 HG22 THR A 97 -4.476 -0.579 -3.485 1.00 11.13 H new ATOM 0 HG23 THR A 97 -3.425 -0.720 -4.915 1.00 11.13 H new ATOM 1507 N VAL A 98 -2.804 -2.008 -1.427 1.00 75.12 N ATOM 1508 CA VAL A 98 -3.037 -1.405 -0.123 1.00 71.31 C ATOM 1509 C VAL A 98 -3.793 -0.109 -0.398 1.00 22.33 C ATOM 1510 O VAL A 98 -3.254 0.774 -1.065 1.00 33.54 O ATOM 1511 CB VAL A 98 -1.709 -1.176 0.648 1.00 15.35 C ATOM 1512 CG1 VAL A 98 -1.180 -2.454 1.304 1.00 35.15 C ATOM 1513 CG2 VAL A 98 -0.556 -0.644 -0.208 1.00 30.55 C ATOM 0 H VAL A 98 -1.904 -1.744 -1.828 1.00 75.12 H new ATOM 0 HA VAL A 98 -3.620 -2.058 0.527 1.00 71.31 H new ATOM 0 HB VAL A 98 -1.996 -0.428 1.387 1.00 15.35 H new ATOM 0 HG11 VAL A 98 -0.250 -2.235 1.829 1.00 35.15 H new ATOM 0 HG12 VAL A 98 -1.917 -2.831 2.013 1.00 35.15 H new ATOM 0 HG13 VAL A 98 -0.996 -3.207 0.538 1.00 35.15 H new ATOM 0 HG21 VAL A 98 0.330 -0.515 0.414 1.00 30.55 H new ATOM 0 HG22 VAL A 98 -0.338 -1.353 -1.006 1.00 30.55 H new ATOM 0 HG23 VAL A 98 -0.838 0.315 -0.642 1.00 30.55 H new ATOM 1523 N CYS A 99 -5.040 -0.015 0.062 1.00 43.45 N ATOM 1524 CA CYS A 99 -5.843 1.192 -0.047 1.00 74.23 C ATOM 1525 C CYS A 99 -5.982 1.745 1.371 1.00 12.23 C ATOM 1526 O CYS A 99 -6.604 1.095 2.224 1.00 2.41 O ATOM 1527 CB CYS A 99 -7.206 0.871 -0.675 1.00 24.22 C ATOM 1528 SG CYS A 99 -7.064 -0.263 -2.094 1.00 41.24 S ATOM 0 H CYS A 99 -5.522 -0.786 0.525 1.00 43.45 H new ATOM 0 HA CYS A 99 -5.376 1.933 -0.696 1.00 74.23 H new ATOM 0 HB2 CYS A 99 -7.855 0.426 0.079 1.00 24.22 H new ATOM 0 HB3 CYS A 99 -7.681 1.797 -0.999 1.00 24.22 H new ATOM 0 HG CYS A 99 -8.246 -0.499 -2.581 1.00 41.24 H new ATOM 1534 N VAL A 100 -5.350 2.887 1.644 1.00 53.15 N ATOM 1535 CA VAL A 100 -5.389 3.551 2.942 1.00 24.52 C ATOM 1536 C VAL A 100 -6.111 4.886 2.809 1.00 44.41 C ATOM 1537 O VAL A 100 -5.947 5.565 1.798 1.00 13.02 O ATOM 1538 CB VAL A 100 -3.972 3.704 3.530 1.00 3.14 C ATOM 1539 CG1 VAL A 100 -3.454 2.351 4.036 1.00 5.34 C ATOM 1540 CG2 VAL A 100 -2.931 4.306 2.572 1.00 74.23 C ATOM 0 H VAL A 100 -4.787 3.384 0.954 1.00 53.15 H new ATOM 0 HA VAL A 100 -5.947 2.935 3.647 1.00 24.52 H new ATOM 0 HB VAL A 100 -4.088 4.417 4.346 1.00 3.14 H new ATOM 0 HG11 VAL A 100 -2.453 2.476 4.448 1.00 5.34 H new ATOM 0 HG12 VAL A 100 -4.121 1.973 4.811 1.00 5.34 H new ATOM 0 HG13 VAL A 100 -3.420 1.642 3.209 1.00 5.34 H new ATOM 0 HG21 VAL A 100 -1.967 4.373 3.077 1.00 74.23 H new ATOM 0 HG22 VAL A 100 -2.836 3.670 1.692 1.00 74.23 H new ATOM 0 HG23 VAL A 100 -3.251 5.302 2.267 1.00 74.23 H new ATOM 1550 N GLU A 101 -6.912 5.272 3.802 1.00 3.10 N ATOM 1551 CA GLU A 101 -7.721 6.487 3.769 1.00 21.12 C ATOM 1552 C GLU A 101 -7.496 7.257 5.066 1.00 11.51 C ATOM 1553 O GLU A 101 -7.494 6.662 6.147 1.00 31.20 O ATOM 1554 CB GLU A 101 -9.195 6.104 3.551 1.00 10.34 C ATOM 1555 CG GLU A 101 -10.164 7.296 3.575 1.00 3.33 C ATOM 1556 CD GLU A 101 -11.616 6.840 3.379 1.00 74.25 C ATOM 1557 OE1 GLU A 101 -12.105 5.982 4.150 1.00 65.14 O ATOM 1558 OE2 GLU A 101 -12.315 7.306 2.449 1.00 45.22 O ATOM 0 H GLU A 101 -7.018 4.739 4.665 1.00 3.10 H new ATOM 0 HA GLU A 101 -7.432 7.137 2.944 1.00 21.12 H new ATOM 0 HB2 GLU A 101 -9.288 5.593 2.593 1.00 10.34 H new ATOM 0 HB3 GLU A 101 -9.492 5.393 4.322 1.00 10.34 H new ATOM 0 HG2 GLU A 101 -10.071 7.823 4.525 1.00 3.33 H new ATOM 0 HG3 GLU A 101 -9.894 8.003 2.790 1.00 3.33 H new ATOM 1565 N ALA A 102 -7.307 8.575 4.946 1.00 33.03 N ATOM 1566 CA ALA A 102 -6.998 9.507 6.027 1.00 25.41 C ATOM 1567 C ALA A 102 -8.158 10.488 6.253 1.00 2.41 C ATOM 1568 O ALA A 102 -7.957 11.646 6.635 1.00 14.23 O ATOM 1569 CB ALA A 102 -5.688 10.233 5.697 1.00 21.44 C ATOM 0 H ALA A 102 -7.370 9.042 4.041 1.00 33.03 H new ATOM 0 HA ALA A 102 -6.868 8.960 6.961 1.00 25.41 H new ATOM 0 HB1 ALA A 102 -5.448 10.932 6.498 1.00 21.44 H new ATOM 0 HB2 ALA A 102 -4.883 9.504 5.597 1.00 21.44 H new ATOM 0 HB3 ALA A 102 -5.801 10.779 4.761 1.00 21.44 H new ATOM 1575 N GLY A 103 -9.386 10.059 5.969 1.00 21.31 N ATOM 1576 CA GLY A 103 -10.567 10.900 5.976 1.00 30.10 C ATOM 1577 C GLY A 103 -10.749 11.483 4.585 1.00 70.32 C ATOM 1578 O GLY A 103 -11.134 10.745 3.682 1.00 10.23 O ATOM 0 H GLY A 103 -9.586 9.090 5.722 1.00 21.31 H new ATOM 0 HA2 GLY A 103 -11.444 10.319 6.262 1.00 30.10 H new ATOM 0 HA3 GLY A 103 -10.460 11.698 6.711 1.00 30.10 H new ATOM 1582 N ASN A 104 -10.505 12.786 4.403 1.00 22.23 N ATOM 1583 CA ASN A 104 -10.900 13.493 3.175 1.00 31.13 C ATOM 1584 C ASN A 104 -10.198 12.992 1.907 1.00 62.45 C ATOM 1585 O ASN A 104 -10.677 13.229 0.799 1.00 23.14 O ATOM 1586 CB ASN A 104 -10.650 15.004 3.296 1.00 1.20 C ATOM 1587 CG ASN A 104 -11.821 15.757 2.686 1.00 10.31 C ATOM 1588 OD1 ASN A 104 -12.044 15.769 1.483 1.00 24.32 O ATOM 1589 ND2 ASN A 104 -12.639 16.368 3.512 1.00 73.21 N ATOM 0 H ASN A 104 -10.035 13.375 5.091 1.00 22.23 H new ATOM 0 HA ASN A 104 -11.964 13.282 3.071 1.00 31.13 H new ATOM 0 HB2 ASN A 104 -10.530 15.282 4.343 1.00 1.20 H new ATOM 0 HB3 ASN A 104 -9.725 15.273 2.787 1.00 1.20 H new ATOM 0 HD21 ASN A 104 -13.461 16.853 3.151 1.00 73.21 H new ATOM 0 HD22 ASN A 104 -12.453 16.358 4.515 1.00 73.21 H new ATOM 1596 N ALA A 105 -9.044 12.342 2.061 1.00 61.13 N ATOM 1597 CA ALA A 105 -8.189 11.887 0.980 1.00 50.43 C ATOM 1598 C ALA A 105 -7.712 10.474 1.291 1.00 50.23 C ATOM 1599 O ALA A 105 -7.722 10.047 2.453 1.00 62.04 O ATOM 1600 CB ALA A 105 -6.999 12.844 0.847 1.00 3.12 C ATOM 0 H ALA A 105 -8.670 12.112 2.982 1.00 61.13 H new ATOM 0 HA ALA A 105 -8.736 11.876 0.037 1.00 50.43 H new ATOM 0 HB1 ALA A 105 -6.352 12.509 0.037 1.00 3.12 H new ATOM 0 HB2 ALA A 105 -7.362 13.848 0.630 1.00 3.12 H new ATOM 0 HB3 ALA A 105 -6.436 12.856 1.780 1.00 3.12 H new ATOM 1606 N PHE A 106 -7.244 9.776 0.261 1.00 33.30 N ATOM 1607 CA PHE A 106 -6.707 8.436 0.375 1.00 71.35 C ATOM 1608 C PHE A 106 -5.561 8.253 -0.604 1.00 70.41 C ATOM 1609 O PHE A 106 -5.485 8.930 -1.629 1.00 51.21 O ATOM 1610 CB PHE A 106 -7.809 7.395 0.137 1.00 53.11 C ATOM 1611 CG PHE A 106 -8.668 7.531 -1.099 1.00 10.30 C ATOM 1612 CD1 PHE A 106 -9.877 8.244 -1.021 1.00 71.13 C ATOM 1613 CD2 PHE A 106 -8.328 6.841 -2.280 1.00 52.21 C ATOM 1614 CE1 PHE A 106 -10.743 8.265 -2.123 1.00 74.13 C ATOM 1615 CE2 PHE A 106 -9.211 6.842 -3.373 1.00 65.35 C ATOM 1616 CZ PHE A 106 -10.424 7.546 -3.285 1.00 23.33 C ATOM 0 H PHE A 106 -7.230 10.138 -0.692 1.00 33.30 H new ATOM 0 HA PHE A 106 -6.323 8.291 1.385 1.00 71.35 H new ATOM 0 HB2 PHE A 106 -7.338 6.413 0.108 1.00 53.11 H new ATOM 0 HB3 PHE A 106 -8.470 7.406 1.004 1.00 53.11 H new ATOM 0 HD1 PHE A 106 -10.137 8.773 -0.116 1.00 71.13 H new ATOM 0 HD2 PHE A 106 -7.389 6.312 -2.345 1.00 52.21 H new ATOM 0 HE1 PHE A 106 -11.658 8.836 -2.078 1.00 74.13 H new ATOM 0 HE2 PHE A 106 -8.959 6.305 -4.275 1.00 65.35 H new ATOM 0 HZ PHE A 106 -11.114 7.534 -4.116 1.00 23.33 H new ATOM 1626 N ASP A 107 -4.701 7.287 -0.307 1.00 52.34 N ATOM 1627 CA ASP A 107 -3.535 6.928 -1.099 1.00 2.31 C ATOM 1628 C ASP A 107 -3.590 5.414 -1.288 1.00 44.43 C ATOM 1629 O ASP A 107 -4.143 4.690 -0.453 1.00 11.00 O ATOM 1630 CB ASP A 107 -2.252 7.404 -0.395 1.00 22.41 C ATOM 1631 CG ASP A 107 -1.520 8.510 -1.161 1.00 72.10 C ATOM 1632 OD1 ASP A 107 -2.065 9.616 -1.375 1.00 3.31 O ATOM 1633 OD2 ASP A 107 -0.341 8.279 -1.516 1.00 5.24 O ATOM 0 H ASP A 107 -4.803 6.709 0.527 1.00 52.34 H new ATOM 0 HA ASP A 107 -3.531 7.412 -2.075 1.00 2.31 H new ATOM 0 HB2 ASP A 107 -2.505 7.767 0.601 1.00 22.41 H new ATOM 0 HB3 ASP A 107 -1.580 6.555 -0.264 1.00 22.41 H new ATOM 1638 N GLU A 108 -3.081 4.925 -2.408 1.00 34.11 N ATOM 1639 CA GLU A 108 -3.367 3.599 -2.922 1.00 10.13 C ATOM 1640 C GLU A 108 -2.139 3.124 -3.694 1.00 61.21 C ATOM 1641 O GLU A 108 -1.737 3.761 -4.670 1.00 30.23 O ATOM 1642 CB GLU A 108 -4.651 3.687 -3.768 1.00 64.43 C ATOM 1643 CG GLU A 108 -4.873 2.497 -4.709 1.00 53.42 C ATOM 1644 CD GLU A 108 -4.569 2.822 -6.180 1.00 5.24 C ATOM 1645 OE1 GLU A 108 -5.140 3.789 -6.735 1.00 73.13 O ATOM 1646 OE2 GLU A 108 -3.791 2.073 -6.819 1.00 73.14 O ATOM 0 H GLU A 108 -2.441 5.455 -2.999 1.00 34.11 H new ATOM 0 HA GLU A 108 -3.554 2.863 -2.140 1.00 10.13 H new ATOM 0 HB2 GLU A 108 -5.507 3.770 -3.099 1.00 64.43 H new ATOM 0 HB3 GLU A 108 -4.619 4.602 -4.360 1.00 64.43 H new ATOM 0 HG2 GLU A 108 -4.243 1.667 -4.389 1.00 53.42 H new ATOM 0 HG3 GLU A 108 -5.907 2.163 -4.624 1.00 53.42 H new ATOM 1653 N PHE A 109 -1.550 2.001 -3.270 1.00 54.22 N ATOM 1654 CA PHE A 109 -0.297 1.498 -3.828 1.00 33.23 C ATOM 1655 C PHE A 109 -0.515 0.100 -4.386 1.00 25.44 C ATOM 1656 O PHE A 109 -0.844 -0.838 -3.654 1.00 53.01 O ATOM 1657 CB PHE A 109 0.851 1.560 -2.814 1.00 23.34 C ATOM 1658 CG PHE A 109 0.970 2.889 -2.102 1.00 31.34 C ATOM 1659 CD1 PHE A 109 1.469 4.005 -2.796 1.00 3.02 C ATOM 1660 CD2 PHE A 109 0.504 3.032 -0.781 1.00 51.32 C ATOM 1661 CE1 PHE A 109 1.497 5.263 -2.173 1.00 41.24 C ATOM 1662 CE2 PHE A 109 0.548 4.287 -0.152 1.00 72.30 C ATOM 1663 CZ PHE A 109 1.037 5.401 -0.852 1.00 71.14 C ATOM 0 H PHE A 109 -1.933 1.416 -2.528 1.00 54.22 H new ATOM 0 HA PHE A 109 0.009 2.146 -4.649 1.00 33.23 H new ATOM 0 HB2 PHE A 109 0.711 0.773 -2.073 1.00 23.34 H new ATOM 0 HB3 PHE A 109 1.789 1.350 -3.328 1.00 23.34 H new ATOM 0 HD1 PHE A 109 1.831 3.895 -3.808 1.00 3.02 H new ATOM 0 HD2 PHE A 109 0.113 2.176 -0.251 1.00 51.32 H new ATOM 0 HE1 PHE A 109 1.871 6.123 -2.708 1.00 41.24 H new ATOM 0 HE2 PHE A 109 0.207 4.395 0.867 1.00 72.30 H new ATOM 0 HZ PHE A 109 1.060 6.369 -0.373 1.00 71.14 H new ATOM 1673 N LYS A 110 -0.370 -0.022 -5.702 1.00 3.32 N ATOM 1674 CA LYS A 110 -0.637 -1.218 -6.483 1.00 4.24 C ATOM 1675 C LYS A 110 0.633 -2.066 -6.495 1.00 23.44 C ATOM 1676 O LYS A 110 1.510 -1.847 -7.329 1.00 31.53 O ATOM 1677 CB LYS A 110 -1.104 -0.740 -7.871 1.00 10.25 C ATOM 1678 CG LYS A 110 -1.771 -1.786 -8.773 1.00 5.21 C ATOM 1679 CD LYS A 110 -0.854 -2.936 -9.215 1.00 22.22 C ATOM 1680 CE LYS A 110 -1.360 -3.645 -10.472 1.00 5.44 C ATOM 1681 NZ LYS A 110 -1.355 -2.793 -11.686 1.00 5.35 N ATOM 0 H LYS A 110 -0.046 0.754 -6.280 1.00 3.32 H new ATOM 0 HA LYS A 110 -1.421 -1.855 -6.074 1.00 4.24 H new ATOM 0 HB2 LYS A 110 -1.805 0.083 -7.729 1.00 10.25 H new ATOM 0 HB3 LYS A 110 -0.241 -0.336 -8.400 1.00 10.25 H new ATOM 0 HG2 LYS A 110 -2.628 -2.206 -8.246 1.00 5.21 H new ATOM 0 HG3 LYS A 110 -2.157 -1.286 -9.661 1.00 5.21 H new ATOM 0 HD2 LYS A 110 0.147 -2.546 -9.401 1.00 22.22 H new ATOM 0 HD3 LYS A 110 -0.769 -3.659 -8.404 1.00 22.22 H new ATOM 0 HE2 LYS A 110 -0.742 -4.524 -10.655 1.00 5.44 H new ATOM 0 HE3 LYS A 110 -2.375 -4.000 -10.293 1.00 5.44 H new ATOM 0 HZ1 LYS A 110 -1.496 -3.387 -12.528 1.00 5.35 H new ATOM 0 HZ2 LYS A 110 -2.123 -2.095 -11.623 1.00 5.35 H new ATOM 0 HZ3 LYS A 110 -0.443 -2.299 -11.760 1.00 5.35 H new ATOM 1695 N PHE A 111 0.776 -3.016 -5.572 1.00 44.04 N ATOM 1696 CA PHE A 111 1.887 -3.965 -5.650 1.00 55.02 C ATOM 1697 C PHE A 111 1.621 -4.961 -6.777 1.00 31.41 C ATOM 1698 O PHE A 111 0.472 -5.332 -7.031 1.00 4.13 O ATOM 1699 CB PHE A 111 2.068 -4.719 -4.335 1.00 71.41 C ATOM 1700 CG PHE A 111 2.820 -3.924 -3.289 1.00 41.31 C ATOM 1701 CD1 PHE A 111 2.171 -2.864 -2.613 1.00 34.43 C ATOM 1702 CD2 PHE A 111 4.165 -4.244 -2.990 1.00 60.40 C ATOM 1703 CE1 PHE A 111 2.846 -2.125 -1.631 1.00 33.35 C ATOM 1704 CE2 PHE A 111 4.840 -3.489 -2.012 1.00 54.13 C ATOM 1705 CZ PHE A 111 4.180 -2.451 -1.323 1.00 41.33 C ATOM 0 H PHE A 111 0.151 -3.149 -4.777 1.00 44.04 H new ATOM 0 HA PHE A 111 2.802 -3.407 -5.849 1.00 55.02 H new ATOM 0 HB2 PHE A 111 1.088 -4.990 -3.941 1.00 71.41 H new ATOM 0 HB3 PHE A 111 2.602 -5.649 -4.528 1.00 71.41 H new ATOM 0 HD1 PHE A 111 1.147 -2.622 -2.855 1.00 34.43 H new ATOM 0 HD2 PHE A 111 4.665 -5.053 -3.502 1.00 60.40 H new ATOM 0 HE1 PHE A 111 2.348 -1.316 -1.117 1.00 33.35 H new ATOM 0 HE2 PHE A 111 5.874 -3.707 -1.787 1.00 54.13 H new ATOM 0 HZ PHE A 111 4.702 -1.902 -0.553 1.00 41.33 H new ATOM 1715 N VAL A 112 2.686 -5.450 -7.396 1.00 1.23 N ATOM 1716 CA VAL A 112 2.697 -6.508 -8.380 1.00 75.33 C ATOM 1717 C VAL A 112 3.934 -7.339 -8.076 1.00 62.53 C ATOM 1718 O VAL A 112 5.067 -6.924 -8.340 1.00 32.34 O ATOM 1719 CB VAL A 112 2.579 -5.927 -9.808 1.00 31.45 C ATOM 1720 CG1 VAL A 112 3.460 -4.697 -10.052 1.00 43.21 C ATOM 1721 CG2 VAL A 112 2.949 -6.976 -10.870 1.00 11.24 C ATOM 0 H VAL A 112 3.622 -5.091 -7.208 1.00 1.23 H new ATOM 0 HA VAL A 112 1.834 -7.172 -8.330 1.00 75.33 H new ATOM 0 HB VAL A 112 1.534 -5.628 -9.894 1.00 31.45 H new ATOM 0 HG11 VAL A 112 3.322 -4.348 -11.075 1.00 43.21 H new ATOM 0 HG12 VAL A 112 3.180 -3.905 -9.357 1.00 43.21 H new ATOM 0 HG13 VAL A 112 4.506 -4.962 -9.897 1.00 43.21 H new ATOM 0 HG21 VAL A 112 2.856 -6.537 -11.863 1.00 11.24 H new ATOM 0 HG22 VAL A 112 3.976 -7.305 -10.714 1.00 11.24 H new ATOM 0 HG23 VAL A 112 2.277 -7.830 -10.787 1.00 11.24 H new ATOM 1731 N GLN A 113 3.708 -8.464 -7.405 1.00 20.52 N ATOM 1732 CA GLN A 113 4.752 -9.378 -7.045 1.00 74.20 C ATOM 1733 C GLN A 113 5.158 -10.211 -8.248 1.00 24.31 C ATOM 1734 O GLN A 113 4.321 -10.845 -8.895 1.00 52.13 O ATOM 1735 CB GLN A 113 4.402 -10.203 -5.785 1.00 54.21 C ATOM 1736 CG GLN A 113 5.383 -11.393 -5.612 1.00 12.13 C ATOM 1737 CD GLN A 113 5.384 -12.078 -4.249 1.00 75.43 C ATOM 1738 OE1 GLN A 113 4.514 -12.896 -3.960 1.00 55.03 O ATOM 1739 NE2 GLN A 113 6.407 -11.835 -3.438 1.00 61.10 N ATOM 0 H GLN A 113 2.780 -8.757 -7.099 1.00 20.52 H new ATOM 0 HA GLN A 113 5.634 -8.808 -6.752 1.00 74.20 H new ATOM 0 HB2 GLN A 113 4.442 -9.563 -4.904 1.00 54.21 H new ATOM 0 HB3 GLN A 113 3.381 -10.577 -5.862 1.00 54.21 H new ATOM 0 HG2 GLN A 113 5.150 -12.141 -6.370 1.00 12.13 H new ATOM 0 HG3 GLN A 113 6.393 -11.036 -5.816 1.00 12.13 H new ATOM 0 HE21 GLN A 113 7.116 -11.151 -3.702 1.00 61.10 H new ATOM 0 HE22 GLN A 113 6.484 -12.333 -2.551 1.00 61.10 H new ATOM 1748 N ASP A 114 6.469 -10.216 -8.491 1.00 24.55 N ATOM 1749 CA ASP A 114 7.037 -11.033 -9.573 1.00 42.00 C ATOM 1750 C ASP A 114 6.773 -12.537 -9.418 1.00 54.00 C ATOM 1751 O ASP A 114 6.515 -13.048 -8.323 1.00 35.25 O ATOM 1752 CB ASP A 114 8.553 -10.816 -9.705 1.00 0.05 C ATOM 1753 CG ASP A 114 8.984 -9.791 -10.758 1.00 51.43 C ATOM 1754 OD1 ASP A 114 8.139 -9.278 -11.535 1.00 24.31 O ATOM 1755 OD2 ASP A 114 10.216 -9.561 -10.856 1.00 34.51 O ATOM 0 H ASP A 114 7.153 -9.673 -7.964 1.00 24.55 H new ATOM 0 HA ASP A 114 6.524 -10.694 -10.473 1.00 42.00 H new ATOM 0 HB2 ASP A 114 8.943 -10.502 -8.737 1.00 0.05 H new ATOM 0 HB3 ASP A 114 9.020 -11.772 -9.942 1.00 0.05 H new ATOM 1760 N ALA A 115 6.877 -13.249 -10.549 1.00 0.15 N ATOM 1761 CA ALA A 115 6.845 -14.703 -10.624 1.00 52.40 C ATOM 1762 C ALA A 115 8.160 -15.286 -10.122 1.00 1.12 C ATOM 1763 O ALA A 115 9.232 -14.729 -10.380 1.00 20.32 O ATOM 1764 CB ALA A 115 6.673 -15.132 -12.084 1.00 13.33 C ATOM 0 H ALA A 115 6.989 -12.808 -11.462 1.00 0.15 H new ATOM 0 HA ALA A 115 6.018 -15.062 -10.011 1.00 52.40 H new ATOM 0 HB1 ALA A 115 6.649 -16.220 -12.143 1.00 13.33 H new ATOM 0 HB2 ALA A 115 5.740 -14.726 -12.475 1.00 13.33 H new ATOM 0 HB3 ALA A 115 7.508 -14.755 -12.675 1.00 13.33 H new ATOM 1770 N ALA A 116 8.092 -16.467 -9.519 1.00 32.55 N ATOM 1771 CA ALA A 116 9.266 -17.212 -9.109 1.00 21.32 C ATOM 1772 C ALA A 116 9.605 -18.246 -10.166 1.00 20.11 C ATOM 1773 O ALA A 116 8.792 -19.109 -10.496 1.00 71.23 O ATOM 1774 CB ALA A 116 8.981 -17.889 -7.785 1.00 4.44 C ATOM 0 H ALA A 116 7.212 -16.934 -9.301 1.00 32.55 H new ATOM 0 HA ALA A 116 10.115 -16.538 -8.994 1.00 21.32 H new ATOM 0 HB1 ALA A 116 9.859 -18.452 -7.468 1.00 4.44 H new ATOM 0 HB2 ALA A 116 8.743 -17.135 -7.035 1.00 4.44 H new ATOM 0 HB3 ALA A 116 8.136 -18.568 -7.898 1.00 4.44 H new ATOM 1780 N LYS A 117 10.812 -18.156 -10.713 1.00 53.11 N ATOM 1781 CA LYS A 117 11.344 -19.124 -11.659 1.00 12.15 C ATOM 1782 C LYS A 117 11.940 -20.275 -10.845 1.00 34.31 C ATOM 1783 O LYS A 117 13.159 -20.461 -10.818 1.00 64.12 O ATOM 1784 CB LYS A 117 12.336 -18.403 -12.583 1.00 41.42 C ATOM 1785 CG LYS A 117 12.655 -19.176 -13.868 1.00 12.31 C ATOM 1786 CD LYS A 117 13.883 -18.606 -14.590 1.00 32.45 C ATOM 1787 CE LYS A 117 13.857 -17.077 -14.728 1.00 0.01 C ATOM 1788 NZ LYS A 117 15.037 -16.558 -15.446 1.00 20.31 N ATOM 0 H LYS A 117 11.458 -17.394 -10.506 1.00 53.11 H new ATOM 0 HA LYS A 117 10.588 -19.557 -12.314 1.00 12.15 H new ATOM 0 HB2 LYS A 117 11.929 -17.427 -12.848 1.00 41.42 H new ATOM 0 HB3 LYS A 117 13.263 -18.224 -12.038 1.00 41.42 H new ATOM 0 HG2 LYS A 117 12.830 -20.224 -13.627 1.00 12.31 H new ATOM 0 HG3 LYS A 117 11.794 -19.142 -14.535 1.00 12.31 H new ATOM 0 HD2 LYS A 117 14.782 -18.899 -14.048 1.00 32.45 H new ATOM 0 HD3 LYS A 117 13.950 -19.051 -15.583 1.00 32.45 H new ATOM 0 HE2 LYS A 117 12.952 -16.778 -15.257 1.00 0.01 H new ATOM 0 HE3 LYS A 117 13.811 -16.626 -13.737 1.00 0.01 H new ATOM 0 HZ1 LYS A 117 14.974 -15.522 -15.514 1.00 20.31 H new ATOM 0 HZ2 LYS A 117 15.901 -16.819 -14.929 1.00 20.31 H new ATOM 0 HZ3 LYS A 117 15.069 -16.966 -16.402 1.00 20.31 H new ATOM 1802 N GLN A 118 11.101 -20.982 -10.090 1.00 14.45 N ATOM 1803 CA GLN A 118 11.493 -22.103 -9.245 1.00 1.03 C ATOM 1804 C GLN A 118 11.789 -23.332 -10.091 1.00 3.11 C ATOM 1805 O GLN A 118 11.565 -23.301 -11.327 1.00 32.35 O ATOM 1806 CB GLN A 118 10.390 -22.367 -8.200 1.00 75.22 C ATOM 1807 CG GLN A 118 10.477 -21.410 -7.001 1.00 22.33 C ATOM 1808 CD GLN A 118 11.502 -21.896 -5.977 1.00 14.21 C ATOM 1809 OE1 GLN A 118 11.219 -22.799 -5.189 1.00 64.30 O ATOM 1810 NE2 GLN A 118 12.705 -21.344 -5.988 1.00 75.53 N ATOM 0 H GLN A 118 10.101 -20.783 -10.050 1.00 14.45 H new ATOM 0 HA GLN A 118 12.412 -21.859 -8.712 1.00 1.03 H new ATOM 0 HB2 GLN A 118 9.413 -22.264 -8.673 1.00 75.22 H new ATOM 0 HB3 GLN A 118 10.467 -23.395 -7.847 1.00 75.22 H new ATOM 0 HG2 GLN A 118 10.750 -20.413 -7.347 1.00 22.33 H new ATOM 0 HG3 GLN A 118 9.499 -21.326 -6.528 1.00 22.33 H new ATOM 0 HE21 GLN A 118 12.917 -20.597 -6.650 1.00 75.53 H new ATOM 0 HE22 GLN A 118 13.420 -21.665 -5.335 1.00 75.53 H new