USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 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= 0.938 K(o=0.96,f=-2.4) USER MOD Set 1.2: A 90 THR OG1 : rot -57:sc= 0.0199 USER MOD Single : A 14 MET CE :methyl 177:sc= -0.36 (180deg=-0.407) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -120:sc= -0.0549 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0553) 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 X(o=0,f=0.37) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -2:sc= 0.487 USER MOD Single : A 41 CYS SG : rot 102:sc= 0.453 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.71 K(o=-1.7,f=-5!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 0.735 (180deg=0.396) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 13:sc= 0.443 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+ -119:sc= 1.22 (180deg=-0.196) USER MOD Single : A 61 ASN : amide:sc= 1.42 K(o=1.4,f=-7.5!) USER MOD Single : A 62 THR OG1 : rot -81:sc= 0.324 USER MOD Single : A 63 SER OG : rot 22:sc= 0.686 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 49:sc= 0.312 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.788 K(o=0.79,f=-0.55) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 91 ASN : amide:sc=-0.00808 X(o=-0.0081,f=-0.014) USER MOD Single : A 93 SER OG : rot -82:sc= 0.0769 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.02 K(o=1,f=-9.1!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -2.051 12.260 -1.389 1.00 24.12 N ATOM 165 CA MET A 14 -1.202 12.005 -0.235 1.00 74.20 C ATOM 166 C MET A 14 0.265 12.118 -0.673 1.00 4.11 C ATOM 167 O MET A 14 0.578 11.977 -1.858 1.00 32.45 O ATOM 168 CB MET A 14 -1.573 10.644 0.403 1.00 5.03 C ATOM 169 CG MET A 14 -3.080 10.331 0.352 1.00 65.22 C ATOM 170 SD MET A 14 -3.671 8.823 1.180 1.00 44.34 S ATOM 171 CE MET A 14 -2.646 8.718 2.665 1.00 14.21 C ATOM 0 HA MET A 14 -1.358 12.746 0.549 1.00 74.20 H new ATOM 0 HB2 MET A 14 -1.028 9.851 -0.109 1.00 5.03 H new ATOM 0 HB3 MET A 14 -1.244 10.637 1.442 1.00 5.03 H new ATOM 0 HG2 MET A 14 -3.611 11.179 0.785 1.00 65.22 H new ATOM 0 HG3 MET A 14 -3.373 10.272 -0.696 1.00 65.22 H new ATOM 0 HE1 MET A 14 -2.962 7.865 3.265 1.00 14.21 H new ATOM 0 HE2 MET A 14 -1.602 8.594 2.378 1.00 14.21 H new ATOM 0 HE3 MET A 14 -2.756 9.632 3.248 1.00 14.21 H new ATOM 181 N LYS A 15 1.188 12.401 0.259 1.00 62.30 N ATOM 182 CA LYS A 15 2.615 12.548 -0.042 1.00 1.01 C ATOM 183 C LYS A 15 3.445 11.830 1.017 1.00 45.04 C ATOM 184 O LYS A 15 3.348 12.131 2.212 1.00 63.31 O ATOM 185 CB LYS A 15 3.007 14.019 -0.121 1.00 71.30 C ATOM 186 CG LYS A 15 2.397 14.794 -1.287 1.00 33.51 C ATOM 187 CD LYS A 15 2.632 16.306 -1.138 1.00 63.14 C ATOM 188 CE LYS A 15 1.565 16.964 -0.245 1.00 30.41 C ATOM 189 NZ LYS A 15 1.405 18.401 -0.556 1.00 70.21 N ATOM 0 H LYS A 15 0.962 12.534 1.245 1.00 62.30 H new ATOM 0 HA LYS A 15 2.812 12.096 -1.014 1.00 1.01 H new ATOM 0 HB2 LYS A 15 2.716 14.506 0.810 1.00 71.30 H new ATOM 0 HB3 LYS A 15 4.093 14.086 -0.190 1.00 71.30 H new ATOM 0 HG2 LYS A 15 2.832 14.447 -2.224 1.00 33.51 H new ATOM 0 HG3 LYS A 15 1.327 14.594 -1.339 1.00 33.51 H new ATOM 0 HD2 LYS A 15 3.620 16.480 -0.712 1.00 63.14 H new ATOM 0 HD3 LYS A 15 2.622 16.774 -2.122 1.00 63.14 H new ATOM 0 HE2 LYS A 15 0.611 16.454 -0.380 1.00 30.41 H new ATOM 0 HE3 LYS A 15 1.844 16.847 0.802 1.00 30.41 H new ATOM 0 HZ1 LYS A 15 0.678 18.812 0.065 1.00 70.21 H new ATOM 0 HZ2 LYS A 15 2.309 18.892 -0.403 1.00 70.21 H new ATOM 0 HZ3 LYS A 15 1.115 18.511 -1.549 1.00 70.21 H new ATOM 203 N TRP A 16 4.243 10.867 0.567 1.00 23.51 N ATOM 204 CA TRP A 16 4.955 9.933 1.429 1.00 61.50 C ATOM 205 C TRP A 16 6.441 10.322 1.440 1.00 64.11 C ATOM 206 O TRP A 16 7.140 10.135 0.441 1.00 2.41 O ATOM 207 CB TRP A 16 4.738 8.508 0.914 1.00 64.32 C ATOM 208 CG TRP A 16 3.304 8.092 0.858 1.00 21.43 C ATOM 209 CD1 TRP A 16 2.479 8.318 -0.185 1.00 30.14 C ATOM 210 CD2 TRP A 16 2.509 7.370 1.845 1.00 1.35 C ATOM 211 NE1 TRP A 16 1.221 7.846 0.112 1.00 43.00 N ATOM 212 CE2 TRP A 16 1.198 7.184 1.318 1.00 31.35 C ATOM 213 CE3 TRP A 16 2.765 6.840 3.123 1.00 22.45 C ATOM 214 CZ2 TRP A 16 0.209 6.464 1.999 1.00 52.42 C ATOM 215 CZ3 TRP A 16 1.785 6.100 3.811 1.00 63.41 C ATOM 216 CH2 TRP A 16 0.511 5.903 3.249 1.00 5.23 C ATOM 0 H TRP A 16 4.415 10.712 -0.426 1.00 23.51 H new ATOM 0 HA TRP A 16 4.581 9.974 2.452 1.00 61.50 H new ATOM 0 HB2 TRP A 16 5.169 8.424 -0.084 1.00 64.32 H new ATOM 0 HB3 TRP A 16 5.282 7.814 1.555 1.00 64.32 H new ATOM 0 HD1 TRP A 16 2.762 8.796 -1.111 1.00 30.14 H new ATOM 0 HE1 TRP A 16 0.406 7.971 -0.488 1.00 43.00 H new ATOM 0 HE3 TRP A 16 3.728 7.003 3.583 1.00 22.45 H new ATOM 0 HZ2 TRP A 16 -0.774 6.342 1.568 1.00 52.42 H new ATOM 0 HZ3 TRP A 16 2.014 5.680 4.779 1.00 63.41 H new ATOM 0 HH2 TRP A 16 -0.231 5.323 3.777 1.00 5.23 H new ATOM 227 N SER A 17 6.949 10.910 2.526 1.00 63.40 N ATOM 228 CA SER A 17 8.331 11.404 2.600 1.00 52.21 C ATOM 229 C SER A 17 9.368 10.305 2.866 1.00 41.32 C ATOM 230 O SER A 17 10.570 10.568 2.834 1.00 10.43 O ATOM 231 CB SER A 17 8.425 12.509 3.650 1.00 53.31 C ATOM 232 OG SER A 17 7.536 13.553 3.302 1.00 21.45 O ATOM 0 H SER A 17 6.414 11.058 3.382 1.00 63.40 H new ATOM 0 HA SER A 17 8.577 11.803 1.616 1.00 52.21 H new ATOM 0 HB2 SER A 17 8.175 12.115 4.635 1.00 53.31 H new ATOM 0 HB3 SER A 17 9.446 12.887 3.708 1.00 53.31 H new ATOM 0 HG SER A 17 8.040 14.384 3.175 1.00 21.45 H new ATOM 238 N LYS A 18 8.940 9.065 3.074 1.00 2.03 N ATOM 239 CA LYS A 18 9.772 7.873 2.986 1.00 45.41 C ATOM 240 C LYS A 18 8.977 6.933 2.098 1.00 53.24 C ATOM 241 O LYS A 18 7.772 6.830 2.324 1.00 34.41 O ATOM 242 CB LYS A 18 10.033 7.273 4.383 1.00 23.55 C ATOM 243 CG LYS A 18 11.520 7.160 4.731 1.00 62.33 C ATOM 244 CD LYS A 18 12.234 8.510 4.964 1.00 23.13 C ATOM 245 CE LYS A 18 13.158 8.936 3.814 1.00 32.53 C ATOM 246 NZ LYS A 18 14.329 8.046 3.641 1.00 1.24 N ATOM 0 H LYS A 18 7.972 8.856 3.317 1.00 2.03 H new ATOM 0 HA LYS A 18 10.762 8.076 2.578 1.00 45.41 H new ATOM 0 HB2 LYS A 18 9.538 7.890 5.133 1.00 23.55 H new ATOM 0 HB3 LYS A 18 9.580 6.283 4.435 1.00 23.55 H new ATOM 0 HG2 LYS A 18 11.624 6.550 5.629 1.00 62.33 H new ATOM 0 HG3 LYS A 18 12.028 6.630 3.925 1.00 62.33 H new ATOM 0 HD2 LYS A 18 11.483 9.284 5.118 1.00 23.13 H new ATOM 0 HD3 LYS A 18 12.819 8.446 5.881 1.00 23.13 H new ATOM 0 HE2 LYS A 18 12.586 8.956 2.886 1.00 32.53 H new ATOM 0 HE3 LYS A 18 13.507 9.953 3.995 1.00 32.53 H new ATOM 0 HZ1 LYS A 18 15.019 8.499 3.009 1.00 1.24 H new ATOM 0 HZ2 LYS A 18 14.770 7.869 4.566 1.00 1.24 H new ATOM 0 HZ3 LYS A 18 14.021 7.143 3.226 1.00 1.24 H new ATOM 260 N VAL A 19 9.610 6.304 1.113 1.00 10.43 N ATOM 261 CA VAL A 19 9.071 5.218 0.298 1.00 71.54 C ATOM 262 C VAL A 19 10.237 4.279 -0.055 1.00 62.34 C ATOM 263 O VAL A 19 11.401 4.701 0.015 1.00 71.41 O ATOM 264 CB VAL A 19 8.361 5.753 -0.975 1.00 14.33 C ATOM 265 CG1 VAL A 19 7.108 6.572 -0.647 1.00 33.13 C ATOM 266 CG2 VAL A 19 9.247 6.638 -1.863 1.00 30.55 C ATOM 0 H VAL A 19 10.563 6.550 0.847 1.00 10.43 H new ATOM 0 HA VAL A 19 8.309 4.675 0.857 1.00 71.54 H new ATOM 0 HB VAL A 19 8.103 4.843 -1.516 1.00 14.33 H new ATOM 0 HG11 VAL A 19 6.650 6.922 -1.572 1.00 33.13 H new ATOM 0 HG12 VAL A 19 6.398 5.949 -0.104 1.00 33.13 H new ATOM 0 HG13 VAL A 19 7.384 7.428 -0.032 1.00 33.13 H new ATOM 0 HG21 VAL A 19 8.676 6.970 -2.730 1.00 30.55 H new ATOM 0 HG22 VAL A 19 9.581 7.506 -1.294 1.00 30.55 H new ATOM 0 HG23 VAL A 19 10.114 6.067 -2.196 1.00 30.55 H new ATOM 276 N PRO A 20 9.962 3.025 -0.447 1.00 63.24 N ATOM 277 CA PRO A 20 10.941 2.149 -1.081 1.00 12.03 C ATOM 278 C PRO A 20 11.328 2.633 -2.478 1.00 64.24 C ATOM 279 O PRO A 20 10.525 3.253 -3.180 1.00 61.40 O ATOM 280 CB PRO A 20 10.261 0.783 -1.179 1.00 73.50 C ATOM 281 CG PRO A 20 8.773 1.096 -1.111 1.00 21.34 C ATOM 282 CD PRO A 20 8.705 2.331 -0.238 1.00 73.41 C ATOM 0 HA PRO A 20 11.863 2.123 -0.500 1.00 12.03 H new ATOM 0 HB2 PRO A 20 10.519 0.277 -2.109 1.00 73.50 H new ATOM 0 HB3 PRO A 20 10.567 0.127 -0.364 1.00 73.50 H new ATOM 0 HG2 PRO A 20 8.357 1.282 -2.101 1.00 21.34 H new ATOM 0 HG3 PRO A 20 8.209 0.269 -0.679 1.00 21.34 H new ATOM 0 HD2 PRO A 20 7.859 2.960 -0.514 1.00 73.41 H new ATOM 0 HD3 PRO A 20 8.574 2.063 0.811 1.00 73.41 H new ATOM 290 N SER A 21 12.519 2.233 -2.927 1.00 61.13 N ATOM 291 CA SER A 21 13.041 2.469 -4.268 1.00 62.12 C ATOM 292 C SER A 21 12.174 1.781 -5.333 1.00 62.43 C ATOM 293 O SER A 21 12.070 2.308 -6.443 1.00 11.21 O ATOM 294 CB SER A 21 14.514 2.015 -4.289 1.00 62.43 C ATOM 295 OG SER A 21 15.147 2.152 -5.551 1.00 4.35 O ATOM 0 H SER A 21 13.171 1.714 -2.339 1.00 61.13 H new ATOM 0 HA SER A 21 13.002 3.529 -4.517 1.00 62.12 H new ATOM 0 HB2 SER A 21 15.071 2.592 -3.551 1.00 62.43 H new ATOM 0 HB3 SER A 21 14.565 0.971 -3.981 1.00 62.43 H new ATOM 0 HG SER A 21 16.076 1.847 -5.486 1.00 4.35 H new ATOM 301 N GLY A 22 11.545 0.637 -5.026 1.00 10.13 N ATOM 302 CA GLY A 22 10.815 -0.182 -5.992 1.00 71.13 C ATOM 303 C GLY A 22 9.580 0.501 -6.566 1.00 64.50 C ATOM 304 O GLY A 22 9.105 0.086 -7.626 1.00 65.50 O ATOM 0 H GLY A 22 11.532 0.252 -4.081 1.00 10.13 H new ATOM 0 HA2 GLY A 22 11.485 -0.448 -6.810 1.00 71.13 H new ATOM 0 HA3 GLY A 22 10.514 -1.113 -5.511 1.00 71.13 H new ATOM 308 N LEU A 23 9.066 1.529 -5.879 1.00 5.33 N ATOM 309 CA LEU A 23 7.960 2.344 -6.356 1.00 63.43 C ATOM 310 C LEU A 23 8.252 2.881 -7.757 1.00 41.02 C ATOM 311 O LEU A 23 9.267 3.545 -7.983 1.00 24.41 O ATOM 312 CB LEU A 23 7.667 3.473 -5.356 1.00 43.34 C ATOM 313 CG LEU A 23 6.390 4.257 -5.739 1.00 73.51 C ATOM 314 CD1 LEU A 23 5.592 4.605 -4.482 1.00 2.24 C ATOM 315 CD2 LEU A 23 6.708 5.554 -6.492 1.00 50.30 C ATOM 0 H LEU A 23 9.417 1.815 -4.965 1.00 5.33 H new ATOM 0 HA LEU A 23 7.065 1.726 -6.429 1.00 63.43 H new ATOM 0 HB2 LEU A 23 7.551 3.053 -4.357 1.00 43.34 H new ATOM 0 HB3 LEU A 23 8.516 4.156 -5.318 1.00 43.34 H new ATOM 0 HG LEU A 23 5.808 3.612 -6.397 1.00 73.51 H new ATOM 0 HD11 LEU A 23 4.695 5.157 -4.762 1.00 2.24 H new ATOM 0 HD12 LEU A 23 5.308 3.688 -3.966 1.00 2.24 H new ATOM 0 HD13 LEU A 23 6.204 5.219 -3.821 1.00 2.24 H new ATOM 0 HD21 LEU A 23 5.779 6.068 -6.739 1.00 50.30 H new ATOM 0 HD22 LEU A 23 7.324 6.198 -5.864 1.00 50.30 H new ATOM 0 HD23 LEU A 23 7.248 5.319 -7.409 1.00 50.30 H new ATOM 327 N LYS A 24 7.340 2.634 -8.694 1.00 51.23 N ATOM 328 CA LYS A 24 7.312 3.287 -10.002 1.00 42.11 C ATOM 329 C LYS A 24 5.863 3.610 -10.316 1.00 10.25 C ATOM 330 O LYS A 24 5.077 2.706 -10.596 1.00 14.14 O ATOM 331 CB LYS A 24 7.963 2.428 -11.107 1.00 63.23 C ATOM 332 CG LYS A 24 7.818 3.152 -12.463 1.00 21.11 C ATOM 333 CD LYS A 24 8.489 2.492 -13.671 1.00 1.23 C ATOM 334 CE LYS A 24 9.993 2.783 -13.696 1.00 65.52 C ATOM 335 NZ LYS A 24 10.605 2.428 -14.994 1.00 32.25 N ATOM 0 H LYS A 24 6.584 1.961 -8.564 1.00 51.23 H new ATOM 0 HA LYS A 24 7.906 4.200 -9.969 1.00 42.11 H new ATOM 0 HB2 LYS A 24 9.016 2.260 -10.881 1.00 63.23 H new ATOM 0 HB3 LYS A 24 7.487 1.449 -11.151 1.00 63.23 H new ATOM 0 HG2 LYS A 24 6.755 3.258 -12.680 1.00 21.11 H new ATOM 0 HG3 LYS A 24 8.223 4.158 -12.356 1.00 21.11 H new ATOM 0 HD2 LYS A 24 8.325 1.415 -13.638 1.00 1.23 H new ATOM 0 HD3 LYS A 24 8.030 2.857 -14.590 1.00 1.23 H new ATOM 0 HE2 LYS A 24 10.161 3.841 -13.493 1.00 65.52 H new ATOM 0 HE3 LYS A 24 10.484 2.224 -12.899 1.00 65.52 H new ATOM 0 HZ1 LYS A 24 11.623 2.641 -14.968 1.00 32.25 H new ATOM 0 HZ2 LYS A 24 10.468 1.413 -15.176 1.00 32.25 H new ATOM 0 HZ3 LYS A 24 10.155 2.980 -15.752 1.00 32.25 H new ATOM 349 N ASN A 25 5.516 4.896 -10.284 1.00 74.34 N ATOM 350 CA ASN A 25 4.218 5.437 -10.696 1.00 52.12 C ATOM 351 C ASN A 25 3.020 4.777 -9.987 1.00 4.04 C ATOM 352 O ASN A 25 1.900 4.828 -10.487 1.00 63.11 O ATOM 353 CB ASN A 25 4.102 5.391 -12.235 1.00 62.24 C ATOM 354 CG ASN A 25 3.327 6.581 -12.791 1.00 2.13 C ATOM 355 OD1 ASN A 25 2.113 6.700 -12.666 1.00 22.14 O ATOM 356 ND2 ASN A 25 4.004 7.503 -13.449 1.00 74.51 N ATOM 0 H ASN A 25 6.156 5.620 -9.957 1.00 74.34 H new ATOM 0 HA ASN A 25 4.176 6.478 -10.375 1.00 52.12 H new ATOM 0 HB2 ASN A 25 5.100 5.374 -12.672 1.00 62.24 H new ATOM 0 HB3 ASN A 25 3.607 4.466 -12.533 1.00 62.24 H new ATOM 0 HD21 ASN A 25 3.517 8.306 -13.848 1.00 74.51 H new ATOM 0 HD22 ASN A 25 5.014 7.413 -13.558 1.00 74.51 H new ATOM 363 N GLY A 26 3.228 4.152 -8.826 1.00 44.10 N ATOM 364 CA GLY A 26 2.203 3.445 -8.068 1.00 44.41 C ATOM 365 C GLY A 26 2.520 1.962 -7.880 1.00 24.35 C ATOM 366 O GLY A 26 2.051 1.351 -6.918 1.00 10.12 O ATOM 0 H GLY A 26 4.143 4.125 -8.377 1.00 44.10 H new ATOM 0 HA2 GLY A 26 2.092 3.915 -7.091 1.00 44.41 H new ATOM 0 HA3 GLY A 26 1.246 3.545 -8.580 1.00 44.41 H new ATOM 370 N GLU A 27 3.325 1.373 -8.765 1.00 43.03 N ATOM 371 CA GLU A 27 3.614 -0.053 -8.757 1.00 10.45 C ATOM 372 C GLU A 27 4.772 -0.349 -7.819 1.00 12.24 C ATOM 373 O GLU A 27 5.763 0.380 -7.831 1.00 41.24 O ATOM 374 CB GLU A 27 3.963 -0.547 -10.169 1.00 22.24 C ATOM 375 CG GLU A 27 2.880 -1.493 -10.690 1.00 54.43 C ATOM 376 CD GLU A 27 3.154 -1.878 -12.140 1.00 5.01 C ATOM 377 OE1 GLU A 27 3.958 -2.798 -12.397 1.00 21.55 O ATOM 378 OE2 GLU A 27 2.523 -1.256 -13.036 1.00 4.15 O ATOM 0 H GLU A 27 3.797 1.881 -9.513 1.00 43.03 H new ATOM 0 HA GLU A 27 2.722 -0.576 -8.410 1.00 10.45 H new ATOM 0 HB2 GLU A 27 4.066 0.304 -10.843 1.00 22.24 H new ATOM 0 HB3 GLU A 27 4.925 -1.060 -10.154 1.00 22.24 H new ATOM 0 HG2 GLU A 27 2.844 -2.389 -10.071 1.00 54.43 H new ATOM 0 HG3 GLU A 27 1.904 -1.014 -10.614 1.00 54.43 H new ATOM 385 N LEU A 28 4.683 -1.449 -7.068 1.00 63.32 N ATOM 386 CA LEU A 28 5.730 -1.932 -6.172 1.00 65.40 C ATOM 387 C LEU A 28 6.101 -3.346 -6.594 1.00 61.20 C ATOM 388 O LEU A 28 5.443 -4.323 -6.234 1.00 73.50 O ATOM 389 CB LEU A 28 5.305 -1.903 -4.697 1.00 13.12 C ATOM 390 CG LEU A 28 5.334 -0.552 -3.968 1.00 63.30 C ATOM 391 CD1 LEU A 28 6.751 -0.022 -3.771 1.00 4.24 C ATOM 392 CD2 LEU A 28 4.488 0.523 -4.634 1.00 64.13 C ATOM 0 H LEU A 28 3.855 -2.044 -7.068 1.00 63.32 H new ATOM 0 HA LEU A 28 6.590 -1.267 -6.252 1.00 65.40 H new ATOM 0 HB2 LEU A 28 4.290 -2.296 -4.634 1.00 13.12 H new ATOM 0 HB3 LEU A 28 5.948 -2.592 -4.150 1.00 13.12 H new ATOM 0 HG LEU A 28 4.894 -0.768 -2.994 1.00 63.30 H new ATOM 0 HD11 LEU A 28 6.712 0.935 -3.251 1.00 4.24 H new ATOM 0 HD12 LEU A 28 7.327 -0.734 -3.179 1.00 4.24 H new ATOM 0 HD13 LEU A 28 7.228 0.112 -4.742 1.00 4.24 H new ATOM 0 HD21 LEU A 28 4.559 1.448 -4.062 1.00 64.13 H new ATOM 0 HD22 LEU A 28 4.850 0.695 -5.648 1.00 64.13 H new ATOM 0 HD23 LEU A 28 3.448 0.197 -4.670 1.00 64.13 H new ATOM 404 N LYS A 29 7.148 -3.448 -7.402 1.00 22.53 N ATOM 405 CA LYS A 29 7.732 -4.722 -7.804 1.00 65.53 C ATOM 406 C LYS A 29 8.435 -5.367 -6.603 1.00 33.24 C ATOM 407 O LYS A 29 8.945 -4.650 -5.743 1.00 43.41 O ATOM 408 CB LYS A 29 8.715 -4.389 -8.931 1.00 44.30 C ATOM 409 CG LYS A 29 9.386 -5.594 -9.591 1.00 41.13 C ATOM 410 CD LYS A 29 8.437 -6.402 -10.476 1.00 65.34 C ATOM 411 CE LYS A 29 9.266 -6.977 -11.621 1.00 3.21 C ATOM 412 NZ LYS A 29 9.406 -6.026 -12.741 1.00 10.12 N ATOM 0 H LYS A 29 7.622 -2.638 -7.802 1.00 22.53 H new ATOM 0 HA LYS A 29 6.986 -5.438 -8.149 1.00 65.53 H new ATOM 0 HB2 LYS A 29 8.185 -3.824 -9.698 1.00 44.30 H new ATOM 0 HB3 LYS A 29 9.491 -3.735 -8.533 1.00 44.30 H new ATOM 0 HG2 LYS A 29 10.228 -5.249 -10.192 1.00 41.13 H new ATOM 0 HG3 LYS A 29 9.793 -6.245 -8.817 1.00 41.13 H new ATOM 0 HD2 LYS A 29 7.965 -7.201 -9.904 1.00 65.34 H new ATOM 0 HD3 LYS A 29 7.637 -5.769 -10.860 1.00 65.34 H new ATOM 0 HE2 LYS A 29 10.255 -7.248 -11.251 1.00 3.21 H new ATOM 0 HE3 LYS A 29 8.798 -7.893 -11.981 1.00 3.21 H new ATOM 0 HZ1 LYS A 29 9.976 -6.459 -13.495 1.00 10.12 H new ATOM 0 HZ2 LYS A 29 8.465 -5.787 -13.113 1.00 10.12 H new ATOM 0 HZ3 LYS A 29 9.876 -5.161 -12.405 1.00 10.12 H new ATOM 426 N VAL A 30 8.559 -6.695 -6.565 1.00 22.54 N ATOM 427 CA VAL A 30 9.236 -7.401 -5.464 1.00 12.14 C ATOM 428 C VAL A 30 10.182 -8.428 -6.046 1.00 41.11 C ATOM 429 O VAL A 30 10.432 -8.430 -7.253 1.00 53.40 O ATOM 430 CB VAL A 30 8.159 -7.948 -4.505 1.00 13.32 C ATOM 431 CG1 VAL A 30 7.553 -9.292 -4.771 1.00 53.21 C ATOM 432 CG2 VAL A 30 8.444 -7.928 -3.006 1.00 13.14 C ATOM 0 H VAL A 30 8.196 -7.313 -7.291 1.00 22.54 H new ATOM 0 HA VAL A 30 9.865 -6.746 -4.861 1.00 12.14 H new ATOM 0 HB VAL A 30 7.449 -7.166 -4.775 1.00 13.32 H new ATOM 0 HG11 VAL A 30 6.816 -9.518 -4.000 1.00 53.21 H new ATOM 0 HG12 VAL A 30 7.067 -9.285 -5.747 1.00 53.21 H new ATOM 0 HG13 VAL A 30 8.334 -10.052 -4.760 1.00 53.21 H new ATOM 0 HG21 VAL A 30 7.592 -8.345 -2.468 1.00 13.14 H new ATOM 0 HG22 VAL A 30 9.332 -8.524 -2.797 1.00 13.14 H new ATOM 0 HG23 VAL A 30 8.611 -6.901 -2.681 1.00 13.14 H new ATOM 442 N GLU A 31 10.770 -9.257 -5.197 1.00 74.10 N ATOM 443 CA GLU A 31 11.557 -10.382 -5.632 1.00 61.50 C ATOM 444 C GLU A 31 11.014 -11.639 -4.965 1.00 3.14 C ATOM 445 O GLU A 31 10.322 -11.554 -3.944 1.00 23.35 O ATOM 446 CB GLU A 31 13.031 -10.148 -5.299 1.00 70.11 C ATOM 447 CG GLU A 31 13.280 -10.087 -3.793 1.00 25.43 C ATOM 448 CD GLU A 31 14.592 -9.380 -3.455 1.00 11.34 C ATOM 449 OE1 GLU A 31 15.609 -9.594 -4.156 1.00 34.31 O ATOM 450 OE2 GLU A 31 14.582 -8.583 -2.496 1.00 24.23 O ATOM 0 H GLU A 31 10.709 -9.161 -4.183 1.00 74.10 H new ATOM 0 HA GLU A 31 11.488 -10.505 -6.713 1.00 61.50 H new ATOM 0 HB2 GLU A 31 13.631 -10.948 -5.733 1.00 70.11 H new ATOM 0 HB3 GLU A 31 13.362 -9.217 -5.758 1.00 70.11 H new ATOM 0 HG2 GLU A 31 12.453 -9.566 -3.310 1.00 25.43 H new ATOM 0 HG3 GLU A 31 13.299 -11.099 -3.388 1.00 25.43 H new ATOM 457 N ALA A 32 11.350 -12.802 -5.516 1.00 45.24 N ATOM 458 CA ALA A 32 10.760 -14.080 -5.152 1.00 65.23 C ATOM 459 C ALA A 32 11.308 -14.750 -3.892 1.00 30.23 C ATOM 460 O ALA A 32 11.416 -15.973 -3.797 1.00 23.21 O ATOM 461 CB ALA A 32 10.786 -14.963 -6.389 1.00 43.23 C ATOM 0 H ALA A 32 12.058 -12.880 -6.246 1.00 45.24 H new ATOM 0 HA ALA A 32 9.733 -13.896 -4.837 1.00 65.23 H new ATOM 0 HB1 ALA A 32 10.350 -15.933 -6.153 1.00 43.23 H new ATOM 0 HB2 ALA A 32 10.211 -14.491 -7.185 1.00 43.23 H new ATOM 0 HB3 ALA A 32 11.816 -15.099 -6.717 1.00 43.23 H new ATOM 467 N GLU A 33 11.538 -13.904 -2.905 1.00 13.21 N ATOM 468 CA GLU A 33 11.960 -14.140 -1.540 1.00 61.50 C ATOM 469 C GLU A 33 11.047 -13.374 -0.580 1.00 42.22 C ATOM 470 O GLU A 33 10.882 -13.747 0.582 1.00 22.21 O ATOM 471 CB GLU A 33 13.327 -13.498 -1.419 1.00 54.11 C ATOM 472 CG GLU A 33 14.403 -14.158 -2.272 1.00 72.24 C ATOM 473 CD GLU A 33 14.864 -15.498 -1.696 1.00 33.53 C ATOM 474 OE1 GLU A 33 14.965 -15.629 -0.450 1.00 31.22 O ATOM 475 OE2 GLU A 33 15.083 -16.449 -2.481 1.00 3.23 O ATOM 0 H GLU A 33 11.416 -12.904 -3.066 1.00 13.21 H new ATOM 0 HA GLU A 33 11.946 -15.205 -1.309 1.00 61.50 H new ATOM 0 HB2 GLU A 33 13.249 -12.448 -1.700 1.00 54.11 H new ATOM 0 HB3 GLU A 33 13.638 -13.526 -0.375 1.00 54.11 H new ATOM 0 HG2 GLU A 33 14.019 -14.312 -3.281 1.00 72.24 H new ATOM 0 HG3 GLU A 33 15.259 -13.488 -2.355 1.00 72.24 H new ATOM 482 N GLY A 34 10.486 -12.270 -1.078 1.00 42.24 N ATOM 483 CA GLY A 34 9.805 -11.281 -0.279 1.00 5.15 C ATOM 484 C GLY A 34 10.836 -10.326 0.301 1.00 64.24 C ATOM 485 O GLY A 34 12.033 -10.441 0.041 1.00 53.20 O ATOM 0 H GLY A 34 10.500 -12.045 -2.073 1.00 42.24 H new ATOM 0 HA2 GLY A 34 9.085 -10.735 -0.888 1.00 5.15 H new ATOM 0 HA3 GLY A 34 9.245 -11.763 0.522 1.00 5.15 H new ATOM 489 N GLY A 35 10.353 -9.353 1.052 1.00 25.53 N ATOM 490 CA GLY A 35 11.111 -8.289 1.698 1.00 22.41 C ATOM 491 C GLY A 35 10.114 -7.402 2.422 1.00 2.42 C ATOM 492 O GLY A 35 8.943 -7.774 2.542 1.00 52.44 O ATOM 0 H GLY A 35 9.354 -9.277 1.241 1.00 25.53 H new ATOM 0 HA2 GLY A 35 11.836 -8.704 2.398 1.00 22.41 H new ATOM 0 HA3 GLY A 35 11.672 -7.715 0.961 1.00 22.41 H new ATOM 496 N SER A 36 10.526 -6.229 2.897 1.00 30.44 N ATOM 497 CA SER A 36 9.621 -5.268 3.513 1.00 63.24 C ATOM 498 C SER A 36 9.545 -3.994 2.677 1.00 23.43 C ATOM 499 O SER A 36 10.216 -3.850 1.650 1.00 62.12 O ATOM 500 CB SER A 36 10.008 -5.061 4.985 1.00 65.30 C ATOM 501 OG SER A 36 11.340 -4.630 5.171 1.00 22.21 O ATOM 0 H SER A 36 11.498 -5.920 2.865 1.00 30.44 H new ATOM 0 HA SER A 36 8.601 -5.652 3.528 1.00 63.24 H new ATOM 0 HB2 SER A 36 9.334 -4.328 5.428 1.00 65.30 H new ATOM 0 HB3 SER A 36 9.860 -5.997 5.524 1.00 65.30 H new ATOM 0 HG SER A 36 11.517 -4.517 6.128 1.00 22.21 H new ATOM 507 N SER A 37 8.680 -3.069 3.075 1.00 42.43 N ATOM 508 CA SER A 37 8.686 -1.683 2.630 1.00 32.52 C ATOM 509 C SER A 37 8.246 -0.789 3.786 1.00 13.04 C ATOM 510 O SER A 37 7.717 -1.278 4.791 1.00 33.51 O ATOM 511 CB SER A 37 7.770 -1.504 1.419 1.00 5.45 C ATOM 512 OG SER A 37 8.168 -2.332 0.339 1.00 22.13 O ATOM 0 H SER A 37 7.931 -3.271 3.738 1.00 42.43 H new ATOM 0 HA SER A 37 9.693 -1.401 2.324 1.00 32.52 H new ATOM 0 HB2 SER A 37 6.744 -1.739 1.700 1.00 5.45 H new ATOM 0 HB3 SER A 37 7.783 -0.461 1.103 1.00 5.45 H new ATOM 0 HG SER A 37 8.978 -2.826 0.586 1.00 22.13 H new ATOM 518 N LEU A 38 8.466 0.517 3.635 1.00 31.31 N ATOM 519 CA LEU A 38 8.158 1.537 4.620 1.00 11.03 C ATOM 520 C LEU A 38 7.688 2.780 3.878 1.00 45.33 C ATOM 521 O LEU A 38 8.342 3.175 2.911 1.00 50.02 O ATOM 522 CB LEU A 38 9.426 1.846 5.432 1.00 45.24 C ATOM 523 CG LEU A 38 9.191 2.955 6.467 1.00 72.30 C ATOM 524 CD1 LEU A 38 8.224 2.478 7.556 1.00 62.43 C ATOM 525 CD2 LEU A 38 10.466 3.402 7.176 1.00 51.41 C ATOM 0 H LEU A 38 8.881 0.902 2.786 1.00 31.31 H new ATOM 0 HA LEU A 38 7.378 1.200 5.303 1.00 11.03 H new ATOM 0 HB2 LEU A 38 9.761 0.941 5.940 1.00 45.24 H new ATOM 0 HB3 LEU A 38 10.226 2.146 4.755 1.00 45.24 H new ATOM 0 HG LEU A 38 8.786 3.793 5.900 1.00 72.30 H new ATOM 0 HD11 LEU A 38 8.069 3.277 8.281 1.00 62.43 H new ATOM 0 HD12 LEU A 38 7.270 2.209 7.103 1.00 62.43 H new ATOM 0 HD13 LEU A 38 8.644 1.608 8.060 1.00 62.43 H new ATOM 0 HD21 LEU A 38 10.227 4.187 7.893 1.00 51.41 H new ATOM 0 HD22 LEU A 38 10.907 2.554 7.700 1.00 51.41 H new ATOM 0 HD23 LEU A 38 11.175 3.785 6.442 1.00 51.41 H new ATOM 537 N PHE A 39 6.602 3.394 4.341 1.00 61.52 N ATOM 538 CA PHE A 39 6.007 4.573 3.734 1.00 72.34 C ATOM 539 C PHE A 39 5.642 5.590 4.837 1.00 42.12 C ATOM 540 O PHE A 39 4.731 5.322 5.623 1.00 71.34 O ATOM 541 CB PHE A 39 4.810 4.189 2.836 1.00 61.43 C ATOM 542 CG PHE A 39 4.955 2.954 1.945 1.00 33.23 C ATOM 543 CD1 PHE A 39 4.692 1.660 2.449 1.00 54.22 C ATOM 544 CD2 PHE A 39 5.264 3.101 0.580 1.00 41.34 C ATOM 545 CE1 PHE A 39 4.728 0.532 1.606 1.00 24.23 C ATOM 546 CE2 PHE A 39 5.324 1.977 -0.262 1.00 70.34 C ATOM 547 CZ PHE A 39 5.056 0.696 0.248 1.00 25.51 C ATOM 0 H PHE A 39 6.102 3.074 5.170 1.00 61.52 H new ATOM 0 HA PHE A 39 6.729 5.054 3.074 1.00 72.34 H new ATOM 0 HB2 PHE A 39 3.943 4.038 3.479 1.00 61.43 H new ATOM 0 HB3 PHE A 39 4.586 5.041 2.194 1.00 61.43 H new ATOM 0 HD1 PHE A 39 4.460 1.534 3.496 1.00 54.22 H new ATOM 0 HD2 PHE A 39 5.456 4.084 0.177 1.00 41.34 H new ATOM 0 HE1 PHE A 39 4.506 -0.449 1.999 1.00 24.23 H new ATOM 0 HE2 PHE A 39 5.577 2.099 -1.305 1.00 70.34 H new ATOM 0 HZ PHE A 39 5.102 -0.164 -0.403 1.00 25.51 H new ATOM 557 N ALA A 40 6.338 6.739 4.934 1.00 14.21 N ATOM 558 CA ALA A 40 6.053 7.779 5.947 1.00 62.52 C ATOM 559 C ALA A 40 5.045 8.784 5.407 1.00 72.50 C ATOM 560 O ALA A 40 5.371 9.545 4.496 1.00 72.44 O ATOM 561 CB ALA A 40 7.296 8.581 6.374 1.00 50.02 C ATOM 0 H ALA A 40 7.113 6.974 4.314 1.00 14.21 H new ATOM 0 HA ALA A 40 5.670 7.237 6.811 1.00 62.52 H new ATOM 0 HB1 ALA A 40 7.011 9.325 7.118 1.00 50.02 H new ATOM 0 HB2 ALA A 40 8.036 7.905 6.802 1.00 50.02 H new ATOM 0 HB3 ALA A 40 7.722 9.082 5.505 1.00 50.02 H new ATOM 567 N CYS A 41 3.842 8.829 5.966 1.00 1.24 N ATOM 568 CA CYS A 41 2.766 9.680 5.481 1.00 23.33 C ATOM 569 C CYS A 41 2.924 11.045 6.163 1.00 1.35 C ATOM 570 O CYS A 41 2.528 11.210 7.322 1.00 51.34 O ATOM 571 CB CYS A 41 1.475 8.923 5.805 1.00 51.32 C ATOM 572 SG CYS A 41 0.129 9.198 4.636 1.00 32.51 S ATOM 0 H CYS A 41 3.585 8.268 6.778 1.00 1.24 H new ATOM 0 HA CYS A 41 2.767 9.885 4.410 1.00 23.33 H new ATOM 0 HB2 CYS A 41 1.695 7.856 5.841 1.00 51.32 H new ATOM 0 HB3 CYS A 41 1.139 9.214 6.800 1.00 51.32 H new ATOM 0 HG CYS A 41 0.034 8.178 3.836 1.00 32.51 H new ATOM 578 N LYS A 42 3.623 11.998 5.528 1.00 10.32 N ATOM 579 CA LYS A 42 4.090 13.194 6.247 1.00 63.33 C ATOM 580 C LYS A 42 2.993 14.251 6.415 1.00 52.02 C ATOM 581 O LYS A 42 3.114 15.144 7.246 1.00 50.01 O ATOM 582 CB LYS A 42 5.324 13.793 5.555 1.00 44.31 C ATOM 583 CG LYS A 42 6.101 14.733 6.506 1.00 53.23 C ATOM 584 CD LYS A 42 7.279 15.487 5.883 1.00 32.32 C ATOM 585 CE LYS A 42 6.813 16.350 4.703 1.00 13.25 C ATOM 586 NZ LYS A 42 7.899 17.178 4.140 1.00 12.11 N ATOM 0 H LYS A 42 3.873 11.967 4.540 1.00 10.32 H new ATOM 0 HA LYS A 42 4.368 12.871 7.250 1.00 63.33 H new ATOM 0 HB2 LYS A 42 5.980 12.990 5.218 1.00 44.31 H new ATOM 0 HB3 LYS A 42 5.014 14.345 4.668 1.00 44.31 H new ATOM 0 HG2 LYS A 42 5.403 15.463 6.915 1.00 53.23 H new ATOM 0 HG3 LYS A 42 6.474 14.144 7.344 1.00 53.23 H new ATOM 0 HD2 LYS A 42 7.752 16.118 6.636 1.00 32.32 H new ATOM 0 HD3 LYS A 42 8.033 14.776 5.544 1.00 32.32 H new ATOM 0 HE2 LYS A 42 6.411 15.704 3.922 1.00 13.25 H new ATOM 0 HE3 LYS A 42 6.000 16.998 5.030 1.00 13.25 H new ATOM 0 HZ1 LYS A 42 7.531 17.741 3.347 1.00 12.11 H new ATOM 0 HZ2 LYS A 42 8.267 17.815 4.875 1.00 12.11 H new ATOM 0 HZ3 LYS A 42 8.665 16.562 3.801 1.00 12.11 H new ATOM 600 N ASN A 43 1.905 14.191 5.654 1.00 31.33 N ATOM 601 CA ASN A 43 0.873 15.230 5.598 1.00 25.32 C ATOM 602 C ASN A 43 -0.527 14.661 5.821 1.00 12.33 C ATOM 603 O ASN A 43 -1.486 15.429 5.758 1.00 2.45 O ATOM 604 CB ASN A 43 0.984 16.097 4.324 1.00 5.33 C ATOM 605 CG ASN A 43 1.469 15.389 3.102 1.00 2.21 C ATOM 606 OD1 ASN A 43 2.681 15.300 2.908 1.00 54.20 O ATOM 607 ND2 ASN A 43 0.569 14.977 2.232 1.00 63.51 N ATOM 0 H ASN A 43 1.708 13.399 5.042 1.00 31.33 H new ATOM 0 HA ASN A 43 1.056 15.908 6.432 1.00 25.32 H new ATOM 0 HB2 ASN A 43 0.004 16.524 4.110 1.00 5.33 H new ATOM 0 HB3 ASN A 43 1.656 16.930 4.530 1.00 5.33 H new ATOM 0 HD21 ASN A 43 0.866 14.561 1.349 1.00 63.51 H new ATOM 0 HD22 ASN A 43 -0.425 15.074 2.442 1.00 63.51 H new ATOM 614 N TYR A 44 -0.639 13.365 6.130 1.00 43.04 N ATOM 615 CA TYR A 44 -1.850 12.678 6.546 1.00 54.34 C ATOM 616 C TYR A 44 -1.447 11.603 7.569 1.00 11.05 C ATOM 617 O TYR A 44 -1.194 10.462 7.194 1.00 12.41 O ATOM 618 CB TYR A 44 -2.541 12.038 5.327 1.00 23.44 C ATOM 619 CG TYR A 44 -3.287 12.943 4.355 1.00 62.51 C ATOM 620 CD1 TYR A 44 -4.537 13.484 4.719 1.00 45.31 C ATOM 621 CD2 TYR A 44 -2.805 13.120 3.040 1.00 10.31 C ATOM 622 CE1 TYR A 44 -5.314 14.181 3.774 1.00 64.53 C ATOM 623 CE2 TYR A 44 -3.588 13.800 2.081 1.00 31.53 C ATOM 624 CZ TYR A 44 -4.852 14.326 2.445 1.00 41.44 C ATOM 625 OH TYR A 44 -5.611 15.006 1.538 1.00 41.31 O ATOM 0 H TYR A 44 0.164 12.738 6.092 1.00 43.04 H new ATOM 0 HA TYR A 44 -2.555 13.377 6.995 1.00 54.34 H new ATOM 0 HB2 TYR A 44 -1.782 11.499 4.761 1.00 23.44 H new ATOM 0 HB3 TYR A 44 -3.248 11.296 5.699 1.00 23.44 H new ATOM 0 HD1 TYR A 44 -4.901 13.363 5.729 1.00 45.31 H new ATOM 0 HD2 TYR A 44 -1.834 12.734 2.766 1.00 10.31 H new ATOM 0 HE1 TYR A 44 -6.264 14.605 4.064 1.00 64.53 H new ATOM 0 HE2 TYR A 44 -3.223 13.919 1.071 1.00 31.53 H new ATOM 0 HH TYR A 44 -5.153 15.017 0.671 1.00 41.31 H new ATOM 635 N LYS A 45 -1.359 11.934 8.861 1.00 10.33 N ATOM 636 CA LYS A 45 -1.085 10.976 9.954 1.00 21.54 C ATOM 637 C LYS A 45 -2.354 10.238 10.383 1.00 4.44 C ATOM 638 O LYS A 45 -2.635 10.082 11.568 1.00 25.11 O ATOM 639 CB LYS A 45 -0.483 11.706 11.162 1.00 33.25 C ATOM 640 CG LYS A 45 0.978 12.097 10.934 1.00 53.43 C ATOM 641 CD LYS A 45 1.221 13.604 10.926 1.00 65.43 C ATOM 642 CE LYS A 45 1.572 14.109 9.542 1.00 4.02 C ATOM 643 NZ LYS A 45 1.580 15.580 9.525 1.00 51.30 N ATOM 0 H LYS A 45 -1.477 12.892 9.190 1.00 10.33 H new ATOM 0 HA LYS A 45 -0.372 10.242 9.578 1.00 21.54 H new ATOM 0 HB2 LYS A 45 -1.068 12.601 11.371 1.00 33.25 H new ATOM 0 HB3 LYS A 45 -0.553 11.067 12.042 1.00 33.25 H new ATOM 0 HG2 LYS A 45 1.591 11.644 11.713 1.00 53.43 H new ATOM 0 HG3 LYS A 45 1.311 11.680 9.984 1.00 53.43 H new ATOM 0 HD2 LYS A 45 0.329 14.118 11.285 1.00 65.43 H new ATOM 0 HD3 LYS A 45 2.029 13.846 11.617 1.00 65.43 H new ATOM 0 HE2 LYS A 45 2.550 13.729 9.246 1.00 4.02 H new ATOM 0 HE3 LYS A 45 0.851 13.734 8.816 1.00 4.02 H new ATOM 0 HZ1 LYS A 45 2.147 15.915 8.720 1.00 51.30 H new ATOM 0 HZ2 LYS A 45 0.606 15.931 9.433 1.00 51.30 H new ATOM 0 HZ3 LYS A 45 1.993 15.935 10.411 1.00 51.30 H new ATOM 657 N SER A 46 -3.178 9.877 9.414 1.00 2.25 N ATOM 658 CA SER A 46 -4.575 9.580 9.660 1.00 13.41 C ATOM 659 C SER A 46 -5.102 8.512 8.708 1.00 44.41 C ATOM 660 O SER A 46 -6.260 8.600 8.297 1.00 24.32 O ATOM 661 CB SER A 46 -5.341 10.908 9.544 1.00 31.13 C ATOM 662 OG SER A 46 -4.916 11.879 10.495 1.00 54.20 O ATOM 0 H SER A 46 -2.897 9.782 8.438 1.00 2.25 H new ATOM 0 HA SER A 46 -4.712 9.158 10.656 1.00 13.41 H new ATOM 0 HB2 SER A 46 -5.211 11.310 8.539 1.00 31.13 H new ATOM 0 HB3 SER A 46 -6.406 10.720 9.676 1.00 31.13 H new ATOM 0 HG SER A 46 -5.434 12.702 10.375 1.00 54.20 H new ATOM 668 N PHE A 47 -4.257 7.566 8.290 1.00 63.24 N ATOM 669 CA PHE A 47 -4.600 6.616 7.241 1.00 63.40 C ATOM 670 C PHE A 47 -4.720 5.192 7.768 1.00 50.31 C ATOM 671 O PHE A 47 -4.230 4.878 8.861 1.00 52.03 O ATOM 672 CB PHE A 47 -3.611 6.707 6.067 1.00 41.12 C ATOM 673 CG PHE A 47 -2.240 6.154 6.369 1.00 63.14 C ATOM 674 CD1 PHE A 47 -1.319 6.940 7.079 1.00 52.10 C ATOM 675 CD2 PHE A 47 -1.890 4.853 5.971 1.00 64.40 C ATOM 676 CE1 PHE A 47 -0.070 6.414 7.436 1.00 64.31 C ATOM 677 CE2 PHE A 47 -0.633 4.335 6.319 1.00 62.24 C ATOM 678 CZ PHE A 47 0.265 5.102 7.073 1.00 45.44 C ATOM 0 H PHE A 47 -3.319 7.441 8.671 1.00 63.24 H new ATOM 0 HA PHE A 47 -5.586 6.891 6.868 1.00 63.40 H new ATOM 0 HB2 PHE A 47 -4.027 6.171 5.214 1.00 41.12 H new ATOM 0 HB3 PHE A 47 -3.512 7.751 5.770 1.00 41.12 H new ATOM 0 HD1 PHE A 47 -1.574 7.954 7.351 1.00 52.10 H new ATOM 0 HD2 PHE A 47 -2.585 4.255 5.400 1.00 64.40 H new ATOM 0 HE1 PHE A 47 0.633 7.018 7.990 1.00 64.31 H new ATOM 0 HE2 PHE A 47 -0.356 3.340 6.004 1.00 62.24 H new ATOM 0 HZ PHE A 47 1.214 4.683 7.374 1.00 45.44 H new ATOM 688 N TRP A 48 -5.371 4.343 6.970 1.00 5.14 N ATOM 689 CA TRP A 48 -5.601 2.929 7.251 1.00 51.41 C ATOM 690 C TRP A 48 -5.890 2.182 5.971 1.00 22.15 C ATOM 691 O TRP A 48 -5.910 2.761 4.886 1.00 13.05 O ATOM 692 CB TRP A 48 -6.764 2.762 8.226 1.00 4.43 C ATOM 693 CG TRP A 48 -8.062 3.380 7.791 1.00 30.15 C ATOM 694 CD1 TRP A 48 -8.979 2.822 6.965 1.00 41.31 C ATOM 695 CD2 TRP A 48 -8.647 4.642 8.227 1.00 72.50 C ATOM 696 NE1 TRP A 48 -10.069 3.660 6.845 1.00 5.01 N ATOM 697 CE2 TRP A 48 -9.926 4.793 7.614 1.00 30.43 C ATOM 698 CE3 TRP A 48 -8.227 5.660 9.105 1.00 54.41 C ATOM 699 CZ2 TRP A 48 -10.760 5.893 7.868 1.00 5.22 C ATOM 700 CZ3 TRP A 48 -9.061 6.756 9.391 1.00 23.42 C ATOM 701 CH2 TRP A 48 -10.330 6.868 8.785 1.00 21.44 C ATOM 0 H TRP A 48 -5.767 4.635 6.076 1.00 5.14 H new ATOM 0 HA TRP A 48 -4.700 2.516 7.706 1.00 51.41 H new ATOM 0 HB2 TRP A 48 -6.926 1.697 8.393 1.00 4.43 H new ATOM 0 HB3 TRP A 48 -6.478 3.195 9.184 1.00 4.43 H new ATOM 0 HD1 TRP A 48 -8.873 1.866 6.474 1.00 41.31 H new ATOM 0 HE1 TRP A 48 -10.880 3.464 6.259 1.00 5.01 H new ATOM 0 HE3 TRP A 48 -7.252 5.598 9.565 1.00 54.41 H new ATOM 0 HZ2 TRP A 48 -11.713 5.988 7.369 1.00 5.22 H new ATOM 0 HZ3 TRP A 48 -8.727 7.518 10.080 1.00 23.42 H new ATOM 0 HH2 TRP A 48 -10.971 7.703 9.026 1.00 21.44 H new ATOM 712 N ILE A 49 -6.111 0.881 6.148 1.00 44.42 N ATOM 713 CA ILE A 49 -6.389 -0.081 5.110 1.00 72.24 C ATOM 714 C ILE A 49 -7.901 -0.253 5.097 1.00 50.42 C ATOM 715 O ILE A 49 -8.453 -0.562 6.152 1.00 10.23 O ATOM 716 CB ILE A 49 -5.717 -1.429 5.429 1.00 2.04 C ATOM 717 CG1 ILE A 49 -4.352 -1.313 6.156 1.00 51.32 C ATOM 718 CG2 ILE A 49 -5.599 -2.190 4.114 1.00 54.33 C ATOM 719 CD1 ILE A 49 -4.451 -1.324 7.663 1.00 50.13 C ATOM 0 H ILE A 49 -6.098 0.457 7.076 1.00 44.42 H new ATOM 0 HA ILE A 49 -6.007 0.256 4.147 1.00 72.24 H new ATOM 0 HB ILE A 49 -6.338 -1.966 6.146 1.00 2.04 H new ATOM 0 HG12 ILE A 49 -3.713 -2.137 5.839 1.00 51.32 H new ATOM 0 HG13 ILE A 49 -3.863 -0.391 5.842 1.00 51.32 H new ATOM 0 HG21 ILE A 49 -5.126 -3.156 4.294 1.00 54.33 H new ATOM 0 HG22 ILE A 49 -6.592 -2.345 3.693 1.00 54.33 H new ATOM 0 HG23 ILE A 49 -4.994 -1.614 3.414 1.00 54.33 H new ATOM 0 HD11 ILE A 49 -3.453 -1.239 8.094 1.00 50.13 H new ATOM 0 HD12 ILE A 49 -5.062 -0.484 7.994 1.00 50.13 H new ATOM 0 HD13 ILE A 49 -4.909 -2.257 7.991 1.00 50.13 H new ATOM 731 N SER A 50 -8.573 -0.051 3.967 1.00 73.20 N ATOM 732 CA SER A 50 -10.002 -0.343 3.873 1.00 61.14 C ATOM 733 C SER A 50 -10.338 -1.211 2.651 1.00 11.02 C ATOM 734 O SER A 50 -11.480 -1.647 2.502 1.00 45.01 O ATOM 735 CB SER A 50 -10.812 0.960 3.939 1.00 32.41 C ATOM 736 OG SER A 50 -11.923 0.777 4.806 1.00 51.23 O ATOM 0 H SER A 50 -8.156 0.311 3.109 1.00 73.20 H new ATOM 0 HA SER A 50 -10.291 -0.947 4.733 1.00 61.14 H new ATOM 0 HB2 SER A 50 -10.184 1.774 4.300 1.00 32.41 H new ATOM 0 HB3 SER A 50 -11.155 1.240 2.943 1.00 32.41 H new ATOM 0 HG SER A 50 -12.442 1.607 4.852 1.00 51.23 H new ATOM 742 N SER A 51 -9.369 -1.561 1.808 1.00 62.33 N ATOM 743 CA SER A 51 -9.543 -2.555 0.762 1.00 32.12 C ATOM 744 C SER A 51 -8.200 -3.222 0.491 1.00 72.23 C ATOM 745 O SER A 51 -7.148 -2.625 0.722 1.00 22.43 O ATOM 746 CB SER A 51 -10.048 -1.880 -0.508 1.00 34.42 C ATOM 747 OG SER A 51 -11.396 -1.457 -0.413 1.00 44.23 O ATOM 0 H SER A 51 -8.433 -1.156 1.836 1.00 62.33 H new ATOM 0 HA SER A 51 -10.270 -3.303 1.078 1.00 32.12 H new ATOM 0 HB2 SER A 51 -9.418 -1.019 -0.730 1.00 34.42 H new ATOM 0 HB3 SER A 51 -9.948 -2.572 -1.344 1.00 34.42 H new ATOM 0 HG SER A 51 -11.688 -1.503 0.521 1.00 44.23 H new ATOM 753 N VAL A 52 -8.234 -4.455 -0.006 1.00 53.32 N ATOM 754 CA VAL A 52 -7.069 -5.293 -0.255 1.00 5.45 C ATOM 755 C VAL A 52 -7.317 -6.042 -1.561 1.00 54.00 C ATOM 756 O VAL A 52 -8.467 -6.312 -1.887 1.00 2.05 O ATOM 757 CB VAL A 52 -6.910 -6.260 0.940 1.00 63.11 C ATOM 758 CG1 VAL A 52 -5.695 -7.189 0.800 1.00 51.11 C ATOM 759 CG2 VAL A 52 -6.807 -5.506 2.265 1.00 10.35 C ATOM 0 H VAL A 52 -9.110 -4.914 -0.256 1.00 53.32 H new ATOM 0 HA VAL A 52 -6.150 -4.714 -0.349 1.00 5.45 H new ATOM 0 HB VAL A 52 -7.811 -6.873 0.937 1.00 63.11 H new ATOM 0 HG11 VAL A 52 -5.636 -7.844 1.669 1.00 51.11 H new ATOM 0 HG12 VAL A 52 -5.800 -7.791 -0.102 1.00 51.11 H new ATOM 0 HG13 VAL A 52 -4.786 -6.591 0.734 1.00 51.11 H new ATOM 0 HG21 VAL A 52 -6.696 -6.219 3.082 1.00 10.35 H new ATOM 0 HG22 VAL A 52 -5.941 -4.845 2.241 1.00 10.35 H new ATOM 0 HG23 VAL A 52 -7.710 -4.916 2.419 1.00 10.35 H new ATOM 769 N LYS A 53 -6.269 -6.443 -2.285 1.00 4.25 N ATOM 770 CA LYS A 53 -6.326 -7.386 -3.407 1.00 70.50 C ATOM 771 C LYS A 53 -5.226 -8.398 -3.183 1.00 12.12 C ATOM 772 O LYS A 53 -4.171 -8.007 -2.697 1.00 53.00 O ATOM 773 CB LYS A 53 -6.099 -6.640 -4.730 1.00 73.42 C ATOM 774 CG LYS A 53 -5.850 -7.495 -5.995 1.00 54.41 C ATOM 775 CD LYS A 53 -5.835 -6.677 -7.299 1.00 63.10 C ATOM 776 CE LYS A 53 -7.132 -5.907 -7.562 1.00 43.24 C ATOM 777 NZ LYS A 53 -7.086 -5.087 -8.788 1.00 23.53 N ATOM 0 H LYS A 53 -5.323 -6.109 -2.100 1.00 4.25 H new ATOM 0 HA LYS A 53 -7.299 -7.874 -3.462 1.00 70.50 H new ATOM 0 HB2 LYS A 53 -6.969 -6.010 -4.915 1.00 73.42 H new ATOM 0 HB3 LYS A 53 -5.245 -5.975 -4.600 1.00 73.42 H new ATOM 0 HG2 LYS A 53 -4.897 -8.014 -5.891 1.00 54.41 H new ATOM 0 HG3 LYS A 53 -6.624 -8.260 -6.065 1.00 54.41 H new ATOM 0 HD2 LYS A 53 -5.005 -5.971 -7.264 1.00 63.10 H new ATOM 0 HD3 LYS A 53 -5.647 -7.349 -8.136 1.00 63.10 H new ATOM 0 HE2 LYS A 53 -7.958 -6.615 -7.637 1.00 43.24 H new ATOM 0 HE3 LYS A 53 -7.342 -5.262 -6.709 1.00 43.24 H new ATOM 0 HZ1 LYS A 53 -7.993 -4.592 -8.909 1.00 23.53 H new ATOM 0 HZ2 LYS A 53 -6.318 -4.390 -8.711 1.00 23.53 H new ATOM 0 HZ3 LYS A 53 -6.915 -5.701 -9.610 1.00 23.53 H new ATOM 791 N GLU A 54 -5.439 -9.649 -3.586 1.00 4.34 N ATOM 792 CA GLU A 54 -4.394 -10.671 -3.595 1.00 24.22 C ATOM 793 C GLU A 54 -4.460 -11.545 -4.848 1.00 65.44 C ATOM 794 O GLU A 54 -3.540 -12.318 -5.105 1.00 1.32 O ATOM 795 CB GLU A 54 -4.437 -11.497 -2.297 1.00 34.15 C ATOM 796 CG GLU A 54 -5.625 -12.464 -2.180 1.00 71.52 C ATOM 797 CD GLU A 54 -5.596 -13.249 -0.865 1.00 45.13 C ATOM 798 OE1 GLU A 54 -4.755 -14.170 -0.720 1.00 12.42 O ATOM 799 OE2 GLU A 54 -6.434 -12.953 0.017 1.00 51.13 O ATOM 0 H GLU A 54 -6.344 -9.984 -3.917 1.00 4.34 H new ATOM 0 HA GLU A 54 -3.428 -10.168 -3.632 1.00 24.22 H new ATOM 0 HB2 GLU A 54 -3.513 -12.070 -2.218 1.00 34.15 H new ATOM 0 HB3 GLU A 54 -4.461 -10.812 -1.449 1.00 34.15 H new ATOM 0 HG2 GLU A 54 -6.557 -11.903 -2.247 1.00 71.52 H new ATOM 0 HG3 GLU A 54 -5.610 -13.160 -3.019 1.00 71.52 H new ATOM 806 N GLU A 55 -5.514 -11.407 -5.661 1.00 73.10 N ATOM 807 CA GLU A 55 -5.824 -12.346 -6.742 1.00 43.24 C ATOM 808 C GLU A 55 -6.602 -11.639 -7.851 1.00 52.32 C ATOM 809 O GLU A 55 -7.668 -12.057 -8.289 1.00 54.23 O ATOM 810 CB GLU A 55 -6.547 -13.563 -6.149 1.00 73.11 C ATOM 811 CG GLU A 55 -5.904 -14.859 -6.645 1.00 64.44 C ATOM 812 CD GLU A 55 -6.089 -15.102 -8.144 1.00 32.31 C ATOM 813 OE1 GLU A 55 -7.132 -15.675 -8.518 1.00 23.15 O ATOM 814 OE2 GLU A 55 -5.151 -14.784 -8.923 1.00 11.32 O ATOM 0 H GLU A 55 -6.178 -10.637 -5.586 1.00 73.10 H new ATOM 0 HA GLU A 55 -4.913 -12.714 -7.214 1.00 43.24 H new ATOM 0 HB2 GLU A 55 -6.507 -13.523 -5.060 1.00 73.11 H new ATOM 0 HB3 GLU A 55 -7.600 -13.541 -6.430 1.00 73.11 H new ATOM 0 HG2 GLU A 55 -4.838 -14.835 -6.418 1.00 64.44 H new ATOM 0 HG3 GLU A 55 -6.328 -15.699 -6.095 1.00 64.44 H new ATOM 821 N GLY A 56 -6.119 -10.460 -8.231 1.00 74.54 N ATOM 822 CA GLY A 56 -6.744 -9.642 -9.268 1.00 42.33 C ATOM 823 C GLY A 56 -8.053 -8.962 -8.841 1.00 62.20 C ATOM 824 O GLY A 56 -8.485 -8.022 -9.507 1.00 21.13 O ATOM 0 H GLY A 56 -5.280 -10.043 -7.828 1.00 74.54 H new ATOM 0 HA2 GLY A 56 -6.037 -8.875 -9.583 1.00 42.33 H new ATOM 0 HA3 GLY A 56 -6.942 -10.269 -10.137 1.00 42.33 H new ATOM 828 N LYS A 57 -8.667 -9.371 -7.726 1.00 12.32 N ATOM 829 CA LYS A 57 -9.952 -8.885 -7.213 1.00 62.50 C ATOM 830 C LYS A 57 -9.772 -8.343 -5.810 1.00 12.14 C ATOM 831 O LYS A 57 -8.838 -8.763 -5.115 1.00 64.42 O ATOM 832 CB LYS A 57 -11.012 -10.004 -7.238 1.00 32.31 C ATOM 833 CG LYS A 57 -10.616 -11.344 -6.579 1.00 21.44 C ATOM 834 CD LYS A 57 -10.955 -11.479 -5.087 1.00 51.44 C ATOM 835 CE LYS A 57 -10.249 -12.730 -4.555 1.00 24.43 C ATOM 836 NZ LYS A 57 -10.775 -13.182 -3.251 1.00 65.23 N ATOM 0 H LYS A 57 -8.259 -10.088 -7.125 1.00 12.32 H new ATOM 0 HA LYS A 57 -10.306 -8.080 -7.857 1.00 62.50 H new ATOM 0 HB2 LYS A 57 -11.911 -9.634 -6.745 1.00 32.31 H new ATOM 0 HB3 LYS A 57 -11.277 -10.200 -8.277 1.00 32.31 H new ATOM 0 HG2 LYS A 57 -11.108 -12.153 -7.119 1.00 21.44 H new ATOM 0 HG3 LYS A 57 -9.542 -11.485 -6.703 1.00 21.44 H new ATOM 0 HD2 LYS A 57 -10.628 -10.595 -4.540 1.00 51.44 H new ATOM 0 HD3 LYS A 57 -12.033 -11.560 -4.946 1.00 51.44 H new ATOM 0 HE2 LYS A 57 -10.354 -13.536 -5.281 1.00 24.43 H new ATOM 0 HE3 LYS A 57 -9.183 -12.525 -4.459 1.00 24.43 H new ATOM 0 HZ1 LYS A 57 -10.258 -14.031 -2.944 1.00 65.23 H new ATOM 0 HZ2 LYS A 57 -10.651 -12.427 -2.546 1.00 65.23 H new ATOM 0 HZ3 LYS A 57 -11.786 -13.407 -3.344 1.00 65.23 H new ATOM 850 N PHE A 58 -10.659 -7.440 -5.399 1.00 65.12 N ATOM 851 CA PHE A 58 -10.604 -6.860 -4.069 1.00 5.13 C ATOM 852 C PHE A 58 -11.251 -7.804 -3.049 1.00 43.44 C ATOM 853 O PHE A 58 -11.993 -8.725 -3.405 1.00 12.04 O ATOM 854 CB PHE A 58 -11.224 -5.448 -4.042 1.00 41.01 C ATOM 855 CG PHE A 58 -10.262 -4.291 -4.291 1.00 41.02 C ATOM 856 CD1 PHE A 58 -9.168 -4.400 -5.174 1.00 34.23 C ATOM 857 CD2 PHE A 58 -10.483 -3.066 -3.639 1.00 13.41 C ATOM 858 CE1 PHE A 58 -8.309 -3.305 -5.385 1.00 4.34 C ATOM 859 CE2 PHE A 58 -9.609 -1.979 -3.831 1.00 62.40 C ATOM 860 CZ PHE A 58 -8.524 -2.096 -4.707 1.00 41.20 C ATOM 0 H PHE A 58 -11.427 -7.096 -5.975 1.00 65.12 H new ATOM 0 HA PHE A 58 -9.558 -6.739 -3.786 1.00 5.13 H new ATOM 0 HB2 PHE A 58 -12.014 -5.405 -4.792 1.00 41.01 H new ATOM 0 HB3 PHE A 58 -11.697 -5.299 -3.071 1.00 41.01 H new ATOM 0 HD1 PHE A 58 -8.988 -5.330 -5.692 1.00 34.23 H new ATOM 0 HD2 PHE A 58 -11.334 -2.957 -2.983 1.00 13.41 H new ATOM 0 HE1 PHE A 58 -7.481 -3.396 -6.072 1.00 4.34 H new ATOM 0 HE2 PHE A 58 -9.776 -1.053 -3.301 1.00 62.40 H new ATOM 0 HZ PHE A 58 -7.857 -1.261 -4.860 1.00 41.20 H new ATOM 870 N LYS A 59 -10.945 -7.581 -1.774 1.00 10.12 N ATOM 871 CA LYS A 59 -11.505 -8.210 -0.591 1.00 73.10 C ATOM 872 C LYS A 59 -11.484 -7.165 0.527 1.00 32.52 C ATOM 873 O LYS A 59 -10.824 -6.126 0.406 1.00 44.12 O ATOM 874 CB LYS A 59 -10.736 -9.516 -0.290 1.00 51.44 C ATOM 875 CG LYS A 59 -9.315 -9.364 0.276 1.00 44.03 C ATOM 876 CD LYS A 59 -9.272 -9.681 1.784 1.00 61.32 C ATOM 877 CE LYS A 59 -9.013 -11.164 2.083 1.00 25.33 C ATOM 878 NZ LYS A 59 -7.583 -11.541 2.019 1.00 13.03 N ATOM 0 H LYS A 59 -10.234 -6.893 -1.525 1.00 10.12 H new ATOM 0 HA LYS A 59 -12.541 -8.523 -0.719 1.00 73.10 H new ATOM 0 HB2 LYS A 59 -11.323 -10.102 0.417 1.00 51.44 H new ATOM 0 HB3 LYS A 59 -10.675 -10.096 -1.211 1.00 51.44 H new ATOM 0 HG2 LYS A 59 -8.637 -10.030 -0.257 1.00 44.03 H new ATOM 0 HG3 LYS A 59 -8.961 -8.347 0.106 1.00 44.03 H new ATOM 0 HD2 LYS A 59 -8.492 -9.081 2.253 1.00 61.32 H new ATOM 0 HD3 LYS A 59 -10.218 -9.385 2.238 1.00 61.32 H new ATOM 0 HE2 LYS A 59 -9.398 -11.398 3.076 1.00 25.33 H new ATOM 0 HE3 LYS A 59 -9.573 -11.772 1.372 1.00 25.33 H new ATOM 0 HZ1 LYS A 59 -7.446 -12.261 1.281 1.00 13.03 H new ATOM 0 HZ2 LYS A 59 -7.012 -10.701 1.794 1.00 13.03 H new ATOM 0 HZ3 LYS A 59 -7.284 -11.926 2.938 1.00 13.03 H new ATOM 892 N GLU A 60 -12.227 -7.439 1.590 1.00 33.34 N ATOM 893 CA GLU A 60 -12.405 -6.570 2.746 1.00 73.32 C ATOM 894 C GLU A 60 -11.136 -6.541 3.607 1.00 73.34 C ATOM 895 O GLU A 60 -10.149 -7.209 3.299 1.00 12.12 O ATOM 896 CB GLU A 60 -13.605 -7.076 3.560 1.00 12.33 C ATOM 897 CG GLU A 60 -14.943 -6.909 2.831 1.00 25.34 C ATOM 898 CD GLU A 60 -16.044 -6.506 3.811 1.00 1.11 C ATOM 899 OE1 GLU A 60 -16.677 -7.370 4.463 1.00 21.24 O ATOM 900 OE2 GLU A 60 -16.315 -5.292 3.927 1.00 14.34 O ATOM 0 H GLU A 60 -12.746 -8.313 1.674 1.00 33.34 H new ATOM 0 HA GLU A 60 -12.594 -5.550 2.411 1.00 73.32 H new ATOM 0 HB2 GLU A 60 -13.457 -8.130 3.797 1.00 12.33 H new ATOM 0 HB3 GLU A 60 -13.645 -6.539 4.508 1.00 12.33 H new ATOM 0 HG2 GLU A 60 -14.847 -6.152 2.053 1.00 25.34 H new ATOM 0 HG3 GLU A 60 -15.213 -7.842 2.337 1.00 25.34 H new ATOM 907 N ASN A 61 -11.161 -5.818 4.727 1.00 13.43 N ATOM 908 CA ASN A 61 -10.081 -5.802 5.705 1.00 12.32 C ATOM 909 C ASN A 61 -10.697 -5.990 7.095 1.00 53.31 C ATOM 910 O ASN A 61 -11.824 -5.544 7.335 1.00 62.24 O ATOM 911 CB ASN A 61 -9.309 -4.478 5.574 1.00 33.11 C ATOM 912 CG ASN A 61 -7.877 -4.656 6.042 1.00 72.12 C ATOM 913 OD1 ASN A 61 -7.036 -5.129 5.294 1.00 10.01 O ATOM 914 ND2 ASN A 61 -7.565 -4.286 7.266 1.00 2.31 N ATOM 0 H ASN A 61 -11.946 -5.219 4.981 1.00 13.43 H new ATOM 0 HA ASN A 61 -9.368 -6.610 5.537 1.00 12.32 H new ATOM 0 HB2 ASN A 61 -9.321 -4.143 4.537 1.00 33.11 H new ATOM 0 HB3 ASN A 61 -9.798 -3.704 6.165 1.00 33.11 H new ATOM 0 HD21 ASN A 61 -6.608 -4.393 7.603 1.00 2.31 H new ATOM 0 HD22 ASN A 61 -8.280 -3.893 7.878 1.00 2.31 H new ATOM 921 N THR A 62 -9.993 -6.632 8.025 1.00 62.43 N ATOM 922 CA THR A 62 -10.502 -6.973 9.362 1.00 14.34 C ATOM 923 C THR A 62 -10.169 -5.915 10.423 1.00 54.31 C ATOM 924 O THR A 62 -10.401 -6.112 11.617 1.00 74.40 O ATOM 925 CB THR A 62 -9.971 -8.361 9.758 1.00 3.02 C ATOM 926 OG1 THR A 62 -8.584 -8.471 9.494 1.00 44.04 O ATOM 927 CG2 THR A 62 -10.684 -9.457 8.966 1.00 71.53 C ATOM 0 H THR A 62 -9.032 -6.938 7.872 1.00 62.43 H new ATOM 0 HA THR A 62 -11.591 -6.995 9.314 1.00 14.34 H new ATOM 0 HB THR A 62 -10.157 -8.481 10.825 1.00 3.02 H new ATOM 0 HG1 THR A 62 -8.447 -8.672 8.545 1.00 44.04 H new ATOM 0 HG21 THR A 62 -10.294 -10.431 9.261 1.00 71.53 H new ATOM 0 HG22 THR A 62 -11.754 -9.417 9.171 1.00 71.53 H new ATOM 0 HG23 THR A 62 -10.513 -9.305 7.900 1.00 71.53 H new ATOM 935 N SER A 63 -9.566 -4.801 10.022 1.00 4.15 N ATOM 936 CA SER A 63 -9.091 -3.743 10.901 1.00 65.12 C ATOM 937 C SER A 63 -8.875 -2.472 10.083 1.00 21.11 C ATOM 938 O SER A 63 -8.923 -2.509 8.858 1.00 64.21 O ATOM 939 CB SER A 63 -7.758 -4.200 11.505 1.00 22.12 C ATOM 940 OG SER A 63 -7.966 -5.155 12.529 1.00 34.13 O ATOM 0 H SER A 63 -9.389 -4.604 9.037 1.00 4.15 H new ATOM 0 HA SER A 63 -9.815 -3.539 11.690 1.00 65.12 H new ATOM 0 HB2 SER A 63 -7.129 -4.629 10.725 1.00 22.12 H new ATOM 0 HB3 SER A 63 -7.223 -3.340 11.908 1.00 22.12 H new ATOM 0 HG SER A 63 -8.845 -5.573 12.413 1.00 34.13 H new ATOM 946 N TYR A 64 -8.553 -1.369 10.750 1.00 1.43 N ATOM 947 CA TYR A 64 -8.167 -0.109 10.131 1.00 54.43 C ATOM 948 C TYR A 64 -6.839 0.319 10.725 1.00 12.35 C ATOM 949 O TYR A 64 -6.683 1.467 11.109 1.00 74.30 O ATOM 950 CB TYR A 64 -9.276 0.947 10.283 1.00 4.42 C ATOM 951 CG TYR A 64 -10.675 0.529 9.881 1.00 12.43 C ATOM 952 CD1 TYR A 64 -10.924 -0.032 8.617 1.00 21.53 C ATOM 953 CD2 TYR A 64 -11.739 0.720 10.777 1.00 73.54 C ATOM 954 CE1 TYR A 64 -12.222 -0.422 8.254 1.00 45.44 C ATOM 955 CE2 TYR A 64 -13.034 0.311 10.428 1.00 10.42 C ATOM 956 CZ TYR A 64 -13.285 -0.256 9.162 1.00 3.25 C ATOM 957 OH TYR A 64 -14.554 -0.629 8.846 1.00 3.41 O ATOM 0 H TYR A 64 -8.554 -1.327 11.769 1.00 1.43 H new ATOM 0 HA TYR A 64 -8.038 -0.230 9.055 1.00 54.43 H new ATOM 0 HB2 TYR A 64 -9.302 1.265 11.325 1.00 4.42 H new ATOM 0 HB3 TYR A 64 -8.998 1.819 9.691 1.00 4.42 H new ATOM 0 HD1 TYR A 64 -10.110 -0.164 7.920 1.00 21.53 H new ATOM 0 HD2 TYR A 64 -11.560 1.183 11.736 1.00 73.54 H new ATOM 0 HE1 TYR A 64 -12.405 -0.849 7.279 1.00 45.44 H new ATOM 0 HE2 TYR A 64 -13.843 0.431 11.133 1.00 10.42 H new ATOM 0 HH TYR A 64 -15.149 -0.437 9.601 1.00 3.41 H new ATOM 967 N LYS A 65 -5.866 -0.600 10.754 1.00 10.41 N ATOM 968 CA LYS A 65 -4.445 -0.336 10.976 1.00 24.15 C ATOM 969 C LYS A 65 -3.533 -1.531 10.690 1.00 13.24 C ATOM 970 O LYS A 65 -2.319 -1.381 10.770 1.00 65.24 O ATOM 971 CB LYS A 65 -4.266 0.142 12.428 1.00 43.22 C ATOM 972 CG LYS A 65 -3.967 1.642 12.372 1.00 14.34 C ATOM 973 CD LYS A 65 -4.401 2.336 13.669 1.00 14.41 C ATOM 974 CE LYS A 65 -3.456 3.505 13.938 1.00 52.33 C ATOM 975 NZ LYS A 65 -4.047 4.505 14.849 1.00 25.51 N ATOM 0 H LYS A 65 -6.060 -1.592 10.617 1.00 10.41 H new ATOM 0 HA LYS A 65 -4.139 0.431 10.264 1.00 24.15 H new ATOM 0 HB2 LYS A 65 -5.167 -0.050 13.011 1.00 43.22 H new ATOM 0 HB3 LYS A 65 -3.451 -0.396 12.913 1.00 43.22 H new ATOM 0 HG2 LYS A 65 -2.900 1.798 12.211 1.00 14.34 H new ATOM 0 HG3 LYS A 65 -4.487 2.089 11.524 1.00 14.34 H new ATOM 0 HD2 LYS A 65 -5.427 2.692 13.582 1.00 14.41 H new ATOM 0 HD3 LYS A 65 -4.377 1.632 14.501 1.00 14.41 H new ATOM 0 HE2 LYS A 65 -2.528 3.128 14.369 1.00 52.33 H new ATOM 0 HE3 LYS A 65 -3.197 3.985 12.994 1.00 52.33 H new ATOM 0 HZ1 LYS A 65 -3.369 5.279 15.002 1.00 25.51 H new ATOM 0 HZ2 LYS A 65 -4.918 4.886 14.428 1.00 25.51 H new ATOM 0 HZ3 LYS A 65 -4.270 4.056 15.760 1.00 25.51 H new ATOM 989 N GLU A 66 -4.066 -2.691 10.320 1.00 11.21 N ATOM 990 CA GLU A 66 -3.302 -3.880 10.030 1.00 61.53 C ATOM 991 C GLU A 66 -4.089 -4.756 9.082 1.00 64.31 C ATOM 992 O GLU A 66 -5.300 -4.561 8.910 1.00 10.22 O ATOM 993 CB GLU A 66 -3.094 -4.665 11.342 1.00 23.45 C ATOM 994 CG GLU A 66 -1.747 -4.467 12.026 1.00 33.34 C ATOM 995 CD GLU A 66 -1.712 -5.079 13.429 1.00 4.11 C ATOM 996 OE1 GLU A 66 -2.542 -5.974 13.741 1.00 42.30 O ATOM 997 OE2 GLU A 66 -0.783 -4.713 14.182 1.00 42.34 O ATOM 0 H GLU A 66 -5.072 -2.824 10.213 1.00 11.21 H new ATOM 0 HA GLU A 66 -2.345 -3.604 9.587 1.00 61.53 H new ATOM 0 HB2 GLU A 66 -3.881 -4.382 12.041 1.00 23.45 H new ATOM 0 HB3 GLU A 66 -3.221 -5.727 11.132 1.00 23.45 H new ATOM 0 HG2 GLU A 66 -0.963 -4.916 11.416 1.00 33.34 H new ATOM 0 HG3 GLU A 66 -1.528 -3.401 12.091 1.00 33.34 H new ATOM 1004 N PHE A 67 -3.383 -5.745 8.539 1.00 22.33 N ATOM 1005 CA PHE A 67 -3.985 -6.950 8.001 1.00 21.34 C ATOM 1006 C PHE A 67 -2.916 -8.024 7.884 1.00 71.21 C ATOM 1007 O PHE A 67 -1.753 -7.698 7.648 1.00 13.33 O ATOM 1008 CB PHE A 67 -4.560 -6.682 6.604 1.00 44.34 C ATOM 1009 CG PHE A 67 -5.541 -7.724 6.089 1.00 10.15 C ATOM 1010 CD1 PHE A 67 -6.601 -8.180 6.896 1.00 64.13 C ATOM 1011 CD2 PHE A 67 -5.457 -8.180 4.761 1.00 45.31 C ATOM 1012 CE1 PHE A 67 -7.540 -9.097 6.392 1.00 74.31 C ATOM 1013 CE2 PHE A 67 -6.399 -9.092 4.250 1.00 13.31 C ATOM 1014 CZ PHE A 67 -7.441 -9.556 5.071 1.00 22.35 C ATOM 0 H PHE A 67 -2.366 -5.727 8.462 1.00 22.33 H new ATOM 0 HA PHE A 67 -4.787 -7.272 8.666 1.00 21.34 H new ATOM 0 HB2 PHE A 67 -5.059 -5.713 6.615 1.00 44.34 H new ATOM 0 HB3 PHE A 67 -3.733 -6.607 5.898 1.00 44.34 H new ATOM 0 HD1 PHE A 67 -6.693 -7.822 7.911 1.00 64.13 H new ATOM 0 HD2 PHE A 67 -4.659 -7.826 4.125 1.00 45.31 H new ATOM 0 HE1 PHE A 67 -8.341 -9.449 7.025 1.00 74.31 H new ATOM 0 HE2 PHE A 67 -6.321 -9.435 3.229 1.00 13.31 H new ATOM 0 HZ PHE A 67 -8.162 -10.262 4.686 1.00 22.35 H new ATOM 1024 N ASP A 68 -3.322 -9.288 7.909 1.00 34.25 N ATOM 1025 CA ASP A 68 -2.468 -10.425 7.610 1.00 30.41 C ATOM 1026 C ASP A 68 -3.201 -11.307 6.599 1.00 22.45 C ATOM 1027 O ASP A 68 -4.279 -11.849 6.870 1.00 41.34 O ATOM 1028 CB ASP A 68 -2.070 -11.170 8.888 1.00 24.54 C ATOM 1029 CG ASP A 68 -1.223 -12.413 8.596 1.00 22.34 C ATOM 1030 OD1 ASP A 68 -0.745 -12.580 7.452 1.00 54.03 O ATOM 1031 OD2 ASP A 68 -1.024 -13.199 9.546 1.00 34.24 O ATOM 0 H ASP A 68 -4.278 -9.554 8.144 1.00 34.25 H new ATOM 0 HA ASP A 68 -1.527 -10.098 7.168 1.00 30.41 H new ATOM 0 HB2 ASP A 68 -1.512 -10.497 9.539 1.00 24.54 H new ATOM 0 HB3 ASP A 68 -2.969 -11.465 9.429 1.00 24.54 H new ATOM 1036 N GLY A 69 -2.637 -11.371 5.396 1.00 30.55 N ATOM 1037 CA GLY A 69 -3.118 -12.131 4.254 1.00 52.03 C ATOM 1038 C GLY A 69 -2.305 -13.407 4.046 1.00 10.15 C ATOM 1039 O GLY A 69 -2.324 -13.973 2.951 1.00 41.12 O ATOM 0 H GLY A 69 -1.780 -10.861 5.183 1.00 30.55 H new ATOM 0 HA2 GLY A 69 -4.167 -12.387 4.402 1.00 52.03 H new ATOM 0 HA3 GLY A 69 -3.064 -11.514 3.357 1.00 52.03 H new ATOM 1043 N GLY A 70 -1.553 -13.851 5.051 1.00 71.52 N ATOM 1044 CA GLY A 70 -0.696 -15.014 4.996 1.00 14.43 C ATOM 1045 C GLY A 70 0.626 -14.607 4.379 1.00 43.12 C ATOM 1046 O GLY A 70 1.608 -14.420 5.094 1.00 61.20 O ATOM 0 H GLY A 70 -1.529 -13.386 5.958 1.00 71.52 H new ATOM 0 HA2 GLY A 70 -0.539 -15.417 5.997 1.00 14.43 H new ATOM 0 HA3 GLY A 70 -1.163 -15.802 4.405 1.00 14.43 H new ATOM 1050 N TRP A 71 0.666 -14.414 3.057 1.00 32.53 N ATOM 1051 CA TRP A 71 1.906 -14.052 2.380 1.00 2.32 C ATOM 1052 C TRP A 71 2.268 -12.568 2.512 1.00 52.32 C ATOM 1053 O TRP A 71 3.302 -12.149 1.982 1.00 33.32 O ATOM 1054 CB TRP A 71 1.894 -14.513 0.917 1.00 5.25 C ATOM 1055 CG TRP A 71 0.940 -13.916 -0.079 1.00 24.32 C ATOM 1056 CD1 TRP A 71 -0.321 -14.337 -0.296 1.00 63.40 C ATOM 1057 CD2 TRP A 71 1.212 -12.954 -1.142 1.00 64.14 C ATOM 1058 NE1 TRP A 71 -0.826 -13.758 -1.443 1.00 72.52 N ATOM 1059 CE2 TRP A 71 0.096 -12.921 -2.034 1.00 64.33 C ATOM 1060 CE3 TRP A 71 2.320 -12.152 -1.478 1.00 52.43 C ATOM 1061 CZ2 TRP A 71 0.096 -12.155 -3.215 1.00 53.42 C ATOM 1062 CZ3 TRP A 71 2.312 -11.353 -2.634 1.00 12.21 C ATOM 1063 CH2 TRP A 71 1.212 -11.351 -3.501 1.00 41.24 C ATOM 0 H TRP A 71 -0.143 -14.503 2.442 1.00 32.53 H new ATOM 0 HA TRP A 71 2.702 -14.588 2.896 1.00 2.32 H new ATOM 0 HB2 TRP A 71 2.900 -14.359 0.526 1.00 5.25 H new ATOM 0 HB3 TRP A 71 1.716 -15.588 0.923 1.00 5.25 H new ATOM 0 HD1 TRP A 71 -0.859 -15.028 0.336 1.00 63.40 H new ATOM 0 HE1 TRP A 71 -1.763 -13.928 -1.807 1.00 72.52 H new ATOM 0 HE3 TRP A 71 3.189 -12.151 -0.837 1.00 52.43 H new ATOM 0 HZ2 TRP A 71 -0.747 -12.185 -3.889 1.00 53.42 H new ATOM 0 HZ3 TRP A 71 3.167 -10.731 -2.857 1.00 12.21 H new ATOM 0 HH2 TRP A 71 1.222 -10.733 -4.387 1.00 41.24 H new ATOM 1074 N TYR A 72 1.441 -11.753 3.176 1.00 13.02 N ATOM 1075 CA TYR A 72 1.501 -10.308 3.075 1.00 4.23 C ATOM 1076 C TYR A 72 0.950 -9.721 4.365 1.00 62.10 C ATOM 1077 O TYR A 72 -0.187 -10.019 4.740 1.00 54.12 O ATOM 1078 CB TYR A 72 0.673 -9.862 1.868 1.00 72.34 C ATOM 1079 CG TYR A 72 0.999 -8.463 1.408 1.00 50.42 C ATOM 1080 CD1 TYR A 72 2.057 -8.282 0.505 1.00 61.22 C ATOM 1081 CD2 TYR A 72 0.268 -7.351 1.867 1.00 30.44 C ATOM 1082 CE1 TYR A 72 2.377 -7.000 0.041 1.00 32.12 C ATOM 1083 CE2 TYR A 72 0.583 -6.063 1.406 1.00 65.34 C ATOM 1084 CZ TYR A 72 1.650 -5.891 0.497 1.00 61.11 C ATOM 1085 OH TYR A 72 2.009 -4.658 0.077 1.00 4.42 O ATOM 0 H TYR A 72 0.709 -12.090 3.801 1.00 13.02 H new ATOM 0 HA TYR A 72 2.525 -9.962 2.935 1.00 4.23 H new ATOM 0 HB2 TYR A 72 0.840 -10.556 1.045 1.00 72.34 H new ATOM 0 HB3 TYR A 72 -0.386 -9.917 2.122 1.00 72.34 H new ATOM 0 HD1 TYR A 72 2.627 -9.135 0.166 1.00 61.22 H new ATOM 0 HD2 TYR A 72 -0.536 -7.489 2.575 1.00 30.44 H new ATOM 0 HE1 TYR A 72 3.182 -6.866 -0.666 1.00 32.12 H new ATOM 0 HE2 TYR A 72 0.014 -5.210 1.744 1.00 65.34 H new ATOM 0 HH TYR A 72 2.115 -4.662 -0.897 1.00 4.42 H new ATOM 1095 N LEU A 73 1.750 -8.911 5.048 1.00 50.20 N ATOM 1096 CA LEU A 73 1.510 -8.446 6.406 1.00 52.33 C ATOM 1097 C LEU A 73 1.547 -6.918 6.383 1.00 22.33 C ATOM 1098 O LEU A 73 2.560 -6.360 5.956 1.00 52.22 O ATOM 1099 CB LEU A 73 2.615 -9.022 7.327 1.00 41.41 C ATOM 1100 CG LEU A 73 2.136 -9.562 8.687 1.00 23.34 C ATOM 1101 CD1 LEU A 73 3.350 -9.740 9.608 1.00 33.55 C ATOM 1102 CD2 LEU A 73 1.112 -8.663 9.378 1.00 63.12 C ATOM 0 H LEU A 73 2.617 -8.547 4.654 1.00 50.20 H new ATOM 0 HA LEU A 73 0.543 -8.776 6.785 1.00 52.33 H new ATOM 0 HB2 LEU A 73 3.122 -9.827 6.795 1.00 41.41 H new ATOM 0 HB3 LEU A 73 3.355 -8.243 7.507 1.00 41.41 H new ATOM 0 HG LEU A 73 1.637 -10.511 8.492 1.00 23.34 H new ATOM 0 HD11 LEU A 73 3.021 -10.122 10.574 1.00 33.55 H new ATOM 0 HD12 LEU A 73 4.048 -10.445 9.157 1.00 33.55 H new ATOM 0 HD13 LEU A 73 3.845 -8.779 9.748 1.00 33.55 H new ATOM 0 HD21 LEU A 73 0.821 -9.108 10.330 1.00 63.12 H new ATOM 0 HD22 LEU A 73 1.551 -7.681 9.555 1.00 63.12 H new ATOM 0 HD23 LEU A 73 0.233 -8.558 8.743 1.00 63.12 H new ATOM 1114 N VAL A 74 0.507 -6.223 6.847 1.00 1.01 N ATOM 1115 CA VAL A 74 0.385 -4.757 6.818 1.00 3.21 C ATOM 1116 C VAL A 74 0.330 -4.260 8.257 1.00 72.42 C ATOM 1117 O VAL A 74 -0.398 -4.841 9.055 1.00 62.12 O ATOM 1118 CB VAL A 74 -0.866 -4.304 6.021 1.00 74.24 C ATOM 1119 CG1 VAL A 74 -0.700 -2.838 5.606 1.00 43.13 C ATOM 1120 CG2 VAL A 74 -1.049 -5.151 4.749 1.00 54.32 C ATOM 0 H VAL A 74 -0.303 -6.677 7.269 1.00 1.01 H new ATOM 0 HA VAL A 74 1.247 -4.328 6.307 1.00 3.21 H new ATOM 0 HB VAL A 74 -1.739 -4.429 6.661 1.00 74.24 H new ATOM 0 HG11 VAL A 74 -1.578 -2.517 5.046 1.00 43.13 H new ATOM 0 HG12 VAL A 74 -0.591 -2.218 6.496 1.00 43.13 H new ATOM 0 HG13 VAL A 74 0.187 -2.735 4.981 1.00 43.13 H new ATOM 0 HG21 VAL A 74 -1.933 -4.811 4.210 1.00 54.32 H new ATOM 0 HG22 VAL A 74 -0.172 -5.044 4.111 1.00 54.32 H new ATOM 0 HG23 VAL A 74 -1.172 -6.199 5.024 1.00 54.32 H new ATOM 1130 N LYS A 75 1.116 -3.239 8.613 1.00 4.12 N ATOM 1131 CA LYS A 75 1.168 -2.644 9.953 1.00 30.43 C ATOM 1132 C LYS A 75 1.271 -1.135 9.790 1.00 23.35 C ATOM 1133 O LYS A 75 2.114 -0.669 9.028 1.00 51.31 O ATOM 1134 CB LYS A 75 2.392 -3.172 10.732 1.00 71.40 C ATOM 1135 CG LYS A 75 2.110 -4.520 11.411 1.00 53.13 C ATOM 1136 CD LYS A 75 3.339 -5.146 12.097 1.00 3.34 C ATOM 1137 CE LYS A 75 4.333 -5.748 11.088 1.00 22.21 C ATOM 1138 NZ LYS A 75 5.506 -6.382 11.728 1.00 31.13 N ATOM 0 H LYS A 75 1.754 -2.789 7.956 1.00 4.12 H new ATOM 0 HA LYS A 75 0.272 -2.910 10.514 1.00 30.43 H new ATOM 0 HB2 LYS A 75 3.236 -3.280 10.050 1.00 71.40 H new ATOM 0 HB3 LYS A 75 2.683 -2.441 11.486 1.00 71.40 H new ATOM 0 HG2 LYS A 75 1.323 -4.384 12.153 1.00 53.13 H new ATOM 0 HG3 LYS A 75 1.728 -5.218 10.666 1.00 53.13 H new ATOM 0 HD2 LYS A 75 3.845 -4.386 12.692 1.00 3.34 H new ATOM 0 HD3 LYS A 75 3.010 -5.924 12.786 1.00 3.34 H new ATOM 0 HE2 LYS A 75 3.816 -6.489 10.478 1.00 22.21 H new ATOM 0 HE3 LYS A 75 4.676 -4.963 10.414 1.00 22.21 H new ATOM 0 HZ1 LYS A 75 6.135 -6.767 10.995 1.00 31.13 H new ATOM 0 HZ2 LYS A 75 6.021 -5.673 12.289 1.00 31.13 H new ATOM 0 HZ3 LYS A 75 5.188 -7.152 12.351 1.00 31.13 H new ATOM 1152 N ILE A 76 0.450 -0.364 10.492 1.00 72.54 N ATOM 1153 CA ILE A 76 0.443 1.095 10.423 1.00 21.53 C ATOM 1154 C ILE A 76 0.679 1.594 11.841 1.00 31.11 C ATOM 1155 O ILE A 76 -0.195 1.470 12.694 1.00 65.52 O ATOM 1156 CB ILE A 76 -0.866 1.613 9.773 1.00 10.42 C ATOM 1157 CG1 ILE A 76 -0.885 1.194 8.287 1.00 33.15 C ATOM 1158 CG2 ILE A 76 -0.939 3.152 9.891 1.00 63.21 C ATOM 1159 CD1 ILE A 76 -2.221 1.474 7.610 1.00 33.51 C ATOM 0 H ILE A 76 -0.244 -0.741 11.138 1.00 72.54 H new ATOM 0 HA ILE A 76 1.231 1.483 9.778 1.00 21.53 H new ATOM 0 HB ILE A 76 -1.727 1.184 10.285 1.00 10.42 H new ATOM 0 HG12 ILE A 76 -0.095 1.724 7.755 1.00 33.15 H new ATOM 0 HG13 ILE A 76 -0.661 0.130 8.212 1.00 33.15 H new ATOM 0 HG21 ILE A 76 -1.861 3.509 9.432 1.00 63.21 H new ATOM 0 HG22 ILE A 76 -0.923 3.437 10.943 1.00 63.21 H new ATOM 0 HG23 ILE A 76 -0.084 3.597 9.381 1.00 63.21 H new ATOM 0 HD11 ILE A 76 -2.174 1.159 6.568 1.00 33.51 H new ATOM 0 HD12 ILE A 76 -3.010 0.922 8.121 1.00 33.51 H new ATOM 0 HD13 ILE A 76 -2.436 2.542 7.657 1.00 33.51 H new ATOM 1171 N GLU A 77 1.860 2.157 12.097 1.00 13.31 N ATOM 1172 CA GLU A 77 2.234 2.650 13.414 1.00 64.44 C ATOM 1173 C GLU A 77 2.590 4.131 13.311 1.00 23.41 C ATOM 1174 O GLU A 77 3.485 4.543 12.565 1.00 24.54 O ATOM 1175 CB GLU A 77 3.377 1.810 14.001 1.00 44.01 C ATOM 1176 CG GLU A 77 2.889 0.541 14.710 1.00 35.35 C ATOM 1177 CD GLU A 77 2.359 0.809 16.128 1.00 21.21 C ATOM 1178 OE1 GLU A 77 1.636 1.810 16.355 1.00 73.33 O ATOM 1179 OE2 GLU A 77 2.702 0.002 17.024 1.00 74.51 O ATOM 0 H GLU A 77 2.585 2.282 11.390 1.00 13.31 H new ATOM 0 HA GLU A 77 1.394 2.552 14.102 1.00 64.44 H new ATOM 0 HB2 GLU A 77 4.063 1.531 13.201 1.00 44.01 H new ATOM 0 HB3 GLU A 77 3.942 2.419 14.707 1.00 44.01 H new ATOM 0 HG2 GLU A 77 2.101 0.080 14.115 1.00 35.35 H new ATOM 0 HG3 GLU A 77 3.708 -0.176 14.764 1.00 35.35 H new ATOM 1186 N ASP A 78 1.867 4.937 14.081 1.00 31.24 N ATOM 1187 CA ASP A 78 1.930 6.388 14.194 1.00 73.54 C ATOM 1188 C ASP A 78 1.492 7.024 12.874 1.00 11.24 C ATOM 1189 O ASP A 78 0.332 7.408 12.769 1.00 14.43 O ATOM 1190 CB ASP A 78 3.309 6.828 14.690 1.00 12.34 C ATOM 1191 CG ASP A 78 3.287 8.109 15.508 1.00 70.11 C ATOM 1192 OD1 ASP A 78 2.584 8.128 16.538 1.00 45.10 O ATOM 1193 OD2 ASP A 78 4.047 9.046 15.165 1.00 11.41 O ATOM 0 H ASP A 78 1.154 4.553 14.701 1.00 31.24 H new ATOM 0 HA ASP A 78 1.230 6.746 14.949 1.00 73.54 H new ATOM 0 HB2 ASP A 78 3.739 6.029 15.294 1.00 12.34 H new ATOM 0 HB3 ASP A 78 3.966 6.967 13.832 1.00 12.34 H new ATOM 1198 N ASN A 79 2.364 7.084 11.867 1.00 44.13 N ATOM 1199 CA ASN A 79 2.119 7.531 10.492 1.00 73.53 C ATOM 1200 C ASN A 79 3.008 6.772 9.492 1.00 23.44 C ATOM 1201 O ASN A 79 3.137 7.188 8.338 1.00 73.33 O ATOM 1202 CB ASN A 79 2.358 9.032 10.349 1.00 10.15 C ATOM 1203 CG ASN A 79 3.827 9.410 10.373 1.00 53.03 C ATOM 1204 OD1 ASN A 79 4.551 9.071 11.305 1.00 31.43 O ATOM 1205 ND2 ASN A 79 4.292 10.156 9.392 1.00 45.34 N ATOM 0 H ASN A 79 3.335 6.800 12.000 1.00 44.13 H new ATOM 0 HA ASN A 79 1.074 7.317 10.267 1.00 73.53 H new ATOM 0 HB2 ASN A 79 1.917 9.376 9.414 1.00 10.15 H new ATOM 0 HB3 ASN A 79 1.842 9.554 11.155 1.00 10.15 H new ATOM 0 HD21 ASN A 79 5.266 10.460 9.400 1.00 45.34 H new ATOM 0 HD22 ASN A 79 3.678 10.430 8.624 1.00 45.34 H new ATOM 1212 N GLU A 80 3.660 5.692 9.929 1.00 41.30 N ATOM 1213 CA GLU A 80 4.558 4.880 9.130 1.00 62.43 C ATOM 1214 C GLU A 80 3.832 3.587 8.766 1.00 50.04 C ATOM 1215 O GLU A 80 3.573 2.748 9.631 1.00 13.35 O ATOM 1216 CB GLU A 80 5.850 4.581 9.900 1.00 54.20 C ATOM 1217 CG GLU A 80 6.750 5.807 10.112 1.00 54.14 C ATOM 1218 CD GLU A 80 8.201 5.396 10.351 1.00 71.41 C ATOM 1219 OE1 GLU A 80 8.457 4.605 11.287 1.00 11.41 O ATOM 1220 OE2 GLU A 80 9.080 5.779 9.548 1.00 1.31 O ATOM 0 H GLU A 80 3.568 5.353 10.887 1.00 41.30 H new ATOM 0 HA GLU A 80 4.838 5.416 8.224 1.00 62.43 H new ATOM 0 HB2 GLU A 80 5.592 4.160 10.872 1.00 54.20 H new ATOM 0 HB3 GLU A 80 6.413 3.819 9.362 1.00 54.20 H new ATOM 0 HG2 GLU A 80 6.693 6.458 9.239 1.00 54.14 H new ATOM 0 HG3 GLU A 80 6.388 6.383 10.963 1.00 54.14 H new ATOM 1227 N LEU A 81 3.477 3.445 7.489 1.00 3.25 N ATOM 1228 CA LEU A 81 2.951 2.218 6.909 1.00 72.53 C ATOM 1229 C LEU A 81 4.160 1.301 6.707 1.00 74.21 C ATOM 1230 O LEU A 81 5.047 1.643 5.925 1.00 44.24 O ATOM 1231 CB LEU A 81 2.261 2.552 5.563 1.00 45.13 C ATOM 1232 CG LEU A 81 1.281 1.539 4.937 1.00 23.13 C ATOM 1233 CD1 LEU A 81 1.062 1.876 3.458 1.00 53.12 C ATOM 1234 CD2 LEU A 81 1.716 0.107 5.121 1.00 1.03 C ATOM 0 H LEU A 81 3.551 4.205 6.813 1.00 3.25 H new ATOM 0 HA LEU A 81 2.208 1.734 7.543 1.00 72.53 H new ATOM 0 HB2 LEU A 81 1.720 3.489 5.698 1.00 45.13 H new ATOM 0 HB3 LEU A 81 3.047 2.740 4.832 1.00 45.13 H new ATOM 0 HG LEU A 81 0.333 1.628 5.468 1.00 23.13 H new ATOM 0 HD11 LEU A 81 0.369 1.158 3.020 1.00 53.12 H new ATOM 0 HD12 LEU A 81 0.647 2.880 3.371 1.00 53.12 H new ATOM 0 HD13 LEU A 81 2.014 1.830 2.930 1.00 53.12 H new ATOM 0 HD21 LEU A 81 0.986 -0.557 4.659 1.00 1.03 H new ATOM 0 HD22 LEU A 81 2.689 -0.041 4.652 1.00 1.03 H new ATOM 0 HD23 LEU A 81 1.788 -0.117 6.185 1.00 1.03 H new ATOM 1246 N LYS A 82 4.251 0.170 7.406 1.00 71.44 N ATOM 1247 CA LYS A 82 5.185 -0.897 7.061 1.00 43.21 C ATOM 1248 C LYS A 82 4.408 -1.989 6.353 1.00 51.20 C ATOM 1249 O LYS A 82 3.230 -2.206 6.650 1.00 54.22 O ATOM 1250 CB LYS A 82 5.876 -1.504 8.291 1.00 33.53 C ATOM 1251 CG LYS A 82 6.483 -0.462 9.240 1.00 64.34 C ATOM 1252 CD LYS A 82 5.547 -0.026 10.378 1.00 22.32 C ATOM 1253 CE LYS A 82 6.108 1.200 11.108 1.00 43.24 C ATOM 1254 NZ LYS A 82 7.293 0.899 11.941 1.00 22.12 N ATOM 0 H LYS A 82 3.679 -0.031 8.226 1.00 71.44 H new ATOM 0 HA LYS A 82 5.964 -0.471 6.429 1.00 43.21 H new ATOM 0 HB2 LYS A 82 5.153 -2.105 8.842 1.00 33.53 H new ATOM 0 HB3 LYS A 82 6.664 -2.179 7.957 1.00 33.53 H new ATOM 0 HG2 LYS A 82 7.397 -0.869 9.672 1.00 64.34 H new ATOM 0 HG3 LYS A 82 6.768 0.417 8.662 1.00 64.34 H new ATOM 0 HD2 LYS A 82 4.561 0.205 9.975 1.00 22.32 H new ATOM 0 HD3 LYS A 82 5.418 -0.847 11.083 1.00 22.32 H new ATOM 0 HE2 LYS A 82 6.374 1.960 10.374 1.00 43.24 H new ATOM 0 HE3 LYS A 82 5.328 1.625 11.740 1.00 43.24 H new ATOM 0 HZ1 LYS A 82 7.621 1.770 12.406 1.00 22.12 H new ATOM 0 HZ2 LYS A 82 7.040 0.195 12.664 1.00 22.12 H new ATOM 0 HZ3 LYS A 82 8.053 0.520 11.340 1.00 22.12 H new ATOM 1268 N VAL A 83 5.084 -2.734 5.487 1.00 72.53 N ATOM 1269 CA VAL A 83 4.494 -3.938 4.936 1.00 53.04 C ATOM 1270 C VAL A 83 5.627 -4.952 4.834 1.00 71.33 C ATOM 1271 O VAL A 83 6.763 -4.548 4.570 1.00 64.13 O ATOM 1272 CB VAL A 83 3.844 -3.600 3.578 1.00 21.54 C ATOM 1273 CG1 VAL A 83 4.790 -3.695 2.376 1.00 53.44 C ATOM 1274 CG2 VAL A 83 2.554 -4.357 3.341 1.00 23.25 C ATOM 0 H VAL A 83 6.027 -2.527 5.158 1.00 72.53 H new ATOM 0 HA VAL A 83 3.699 -4.357 5.554 1.00 53.04 H new ATOM 0 HB VAL A 83 3.591 -2.543 3.660 1.00 21.54 H new ATOM 0 HG11 VAL A 83 4.248 -3.441 1.465 1.00 53.44 H new ATOM 0 HG12 VAL A 83 5.620 -3.001 2.510 1.00 53.44 H new ATOM 0 HG13 VAL A 83 5.176 -4.711 2.297 1.00 53.44 H new ATOM 0 HG21 VAL A 83 2.142 -4.079 2.371 1.00 23.25 H new ATOM 0 HG22 VAL A 83 2.753 -5.429 3.357 1.00 23.25 H new ATOM 0 HG23 VAL A 83 1.837 -4.109 4.124 1.00 23.25 H new ATOM 1284 N ILE A 84 5.349 -6.239 5.031 1.00 62.34 N ATOM 1285 CA ILE A 84 6.305 -7.318 4.868 1.00 23.24 C ATOM 1286 C ILE A 84 5.650 -8.408 4.019 1.00 41.01 C ATOM 1287 O ILE A 84 4.455 -8.690 4.138 1.00 43.01 O ATOM 1288 CB ILE A 84 6.802 -7.791 6.251 1.00 73.41 C ATOM 1289 CG1 ILE A 84 7.419 -6.609 7.040 1.00 21.32 C ATOM 1290 CG2 ILE A 84 7.864 -8.897 6.099 1.00 14.15 C ATOM 1291 CD1 ILE A 84 6.495 -5.917 8.045 1.00 70.30 C ATOM 0 H ILE A 84 4.425 -6.563 5.316 1.00 62.34 H new ATOM 0 HA ILE A 84 7.201 -6.995 4.338 1.00 23.24 H new ATOM 0 HB ILE A 84 5.944 -8.185 6.795 1.00 73.41 H new ATOM 0 HG12 ILE A 84 8.296 -6.974 7.575 1.00 21.32 H new ATOM 0 HG13 ILE A 84 7.768 -5.864 6.325 1.00 21.32 H new ATOM 0 HG21 ILE A 84 8.201 -9.216 7.085 1.00 14.15 H new ATOM 0 HG22 ILE A 84 7.431 -9.747 5.571 1.00 14.15 H new ATOM 0 HG23 ILE A 84 8.712 -8.512 5.533 1.00 14.15 H new ATOM 0 HD11 ILE A 84 7.034 -5.107 8.537 1.00 70.30 H new ATOM 0 HD12 ILE A 84 5.628 -5.512 7.523 1.00 70.30 H new ATOM 0 HD13 ILE A 84 6.164 -6.639 8.792 1.00 70.30 H new ATOM 1303 N ILE A 85 6.441 -8.973 3.113 1.00 23.15 N ATOM 1304 CA ILE A 85 6.026 -9.870 2.038 1.00 61.31 C ATOM 1305 C ILE A 85 6.835 -11.162 2.147 1.00 70.34 C ATOM 1306 O ILE A 85 8.017 -11.116 2.481 1.00 33.55 O ATOM 1307 CB ILE A 85 6.245 -9.176 0.669 1.00 51.12 C ATOM 1308 CG1 ILE A 85 5.721 -7.724 0.721 1.00 25.13 C ATOM 1309 CG2 ILE A 85 5.593 -9.999 -0.461 1.00 71.51 C ATOM 1310 CD1 ILE A 85 5.824 -6.941 -0.578 1.00 74.44 C ATOM 0 H ILE A 85 7.448 -8.808 3.108 1.00 23.15 H new ATOM 0 HA ILE A 85 4.966 -10.110 2.122 1.00 61.31 H new ATOM 0 HB ILE A 85 7.312 -9.127 0.452 1.00 51.12 H new ATOM 0 HG12 ILE A 85 4.676 -7.745 1.030 1.00 25.13 H new ATOM 0 HG13 ILE A 85 6.271 -7.186 1.493 1.00 25.13 H new ATOM 0 HG21 ILE A 85 5.755 -9.499 -1.416 1.00 71.51 H new ATOM 0 HG22 ILE A 85 6.040 -10.993 -0.491 1.00 71.51 H new ATOM 0 HG23 ILE A 85 4.523 -10.088 -0.275 1.00 71.51 H new ATOM 0 HD11 ILE A 85 5.429 -5.936 -0.429 1.00 74.44 H new ATOM 0 HD12 ILE A 85 6.868 -6.879 -0.883 1.00 74.44 H new ATOM 0 HD13 ILE A 85 5.249 -7.446 -1.354 1.00 74.44 H new ATOM 1322 N ASN A 86 6.213 -12.301 1.833 1.00 41.33 N ATOM 1323 CA ASN A 86 6.844 -13.618 1.887 1.00 65.34 C ATOM 1324 C ASN A 86 7.420 -14.004 0.531 1.00 62.23 C ATOM 1325 O ASN A 86 7.113 -13.403 -0.503 1.00 5.23 O ATOM 1326 CB ASN A 86 5.830 -14.698 2.306 1.00 32.55 C ATOM 1327 CG ASN A 86 5.523 -14.663 3.784 1.00 5.22 C ATOM 1328 OD1 ASN A 86 5.851 -15.578 4.534 1.00 50.41 O ATOM 1329 ND2 ASN A 86 4.882 -13.605 4.225 1.00 10.31 N ATOM 0 H ASN A 86 5.240 -12.332 1.529 1.00 41.33 H new ATOM 0 HA ASN A 86 7.645 -13.558 2.624 1.00 65.34 H new ATOM 0 HB2 ASN A 86 4.906 -14.562 1.743 1.00 32.55 H new ATOM 0 HB3 ASN A 86 6.222 -15.681 2.043 1.00 32.55 H new ATOM 0 HD21 ASN A 86 4.644 -13.528 5.214 1.00 10.31 H new ATOM 0 HD22 ASN A 86 4.622 -12.860 3.579 1.00 10.31 H new ATOM 1336 N ARG A 87 8.153 -15.112 0.523 1.00 21.35 N ATOM 1337 CA ARG A 87 8.581 -15.828 -0.676 1.00 33.25 C ATOM 1338 C ARG A 87 7.363 -16.438 -1.377 1.00 25.33 C ATOM 1339 O ARG A 87 6.480 -16.958 -0.693 1.00 11.15 O ATOM 1340 CB ARG A 87 9.614 -16.876 -0.227 1.00 32.24 C ATOM 1341 CG ARG A 87 10.015 -17.840 -1.345 1.00 11.31 C ATOM 1342 CD ARG A 87 9.181 -19.130 -1.337 1.00 3.15 C ATOM 1343 NE ARG A 87 10.037 -20.311 -1.197 1.00 1.31 N ATOM 1344 CZ ARG A 87 9.635 -21.576 -1.087 1.00 61.41 C ATOM 1345 NH1 ARG A 87 8.360 -21.872 -0.850 1.00 30.13 N ATOM 1346 NH2 ARG A 87 10.547 -22.528 -1.216 1.00 13.42 N ATOM 0 H ARG A 87 8.478 -15.554 1.383 1.00 21.35 H new ATOM 0 HA ARG A 87 9.047 -15.169 -1.409 1.00 33.25 H new ATOM 0 HB2 ARG A 87 10.504 -16.366 0.141 1.00 32.24 H new ATOM 0 HB3 ARG A 87 9.205 -17.446 0.607 1.00 32.24 H new ATOM 0 HG2 ARG A 87 9.900 -17.343 -2.308 1.00 11.31 H new ATOM 0 HG3 ARG A 87 11.070 -18.093 -1.241 1.00 11.31 H new ATOM 0 HD2 ARG A 87 8.464 -19.098 -0.517 1.00 3.15 H new ATOM 0 HD3 ARG A 87 8.606 -19.201 -2.261 1.00 3.15 H new ATOM 0 HE ARG A 87 11.044 -20.148 -1.182 1.00 1.31 H new ATOM 0 HH11 ARG A 87 7.673 -21.125 -0.750 1.00 30.13 H new ATOM 0 HH12 ARG A 87 8.069 -22.846 -0.769 1.00 30.13 H new ATOM 0 HH21 ARG A 87 11.521 -22.281 -1.394 1.00 13.42 H new ATOM 0 HH22 ARG A 87 10.276 -23.508 -1.138 1.00 13.42 H new ATOM 1360 N ASN A 88 7.292 -16.362 -2.710 1.00 53.24 N ATOM 1361 CA ASN A 88 6.217 -16.964 -3.513 1.00 52.21 C ATOM 1362 C ASN A 88 6.635 -18.371 -3.905 1.00 52.23 C ATOM 1363 O ASN A 88 7.769 -18.564 -4.336 1.00 3.35 O ATOM 1364 CB ASN A 88 5.999 -16.170 -4.808 1.00 44.14 C ATOM 1365 CG ASN A 88 4.869 -16.682 -5.694 1.00 13.13 C ATOM 1366 OD1 ASN A 88 4.069 -17.531 -5.308 1.00 53.12 O ATOM 1367 ND2 ASN A 88 4.798 -16.162 -6.907 1.00 10.34 N ATOM 0 H ASN A 88 7.989 -15.874 -3.272 1.00 53.24 H new ATOM 0 HA ASN A 88 5.300 -16.965 -2.923 1.00 52.21 H new ATOM 0 HB2 ASN A 88 5.796 -15.131 -4.550 1.00 44.14 H new ATOM 0 HB3 ASN A 88 6.925 -16.180 -5.383 1.00 44.14 H new ATOM 0 HD21 ASN A 88 4.065 -16.464 -7.549 1.00 10.34 H new ATOM 0 HD22 ASN A 88 5.476 -15.459 -7.201 1.00 10.34 H new ATOM 1374 N GLU A 89 5.736 -19.337 -3.778 1.00 52.03 N ATOM 1375 CA GLU A 89 6.009 -20.753 -3.984 1.00 11.05 C ATOM 1376 C GLU A 89 5.599 -21.248 -5.380 1.00 62.54 C ATOM 1377 O GLU A 89 5.487 -22.460 -5.585 1.00 12.21 O ATOM 1378 CB GLU A 89 5.351 -21.541 -2.839 1.00 70.44 C ATOM 1379 CG GLU A 89 3.811 -21.463 -2.812 1.00 42.33 C ATOM 1380 CD GLU A 89 3.222 -22.218 -1.617 1.00 5.12 C ATOM 1381 OE1 GLU A 89 3.800 -22.152 -0.512 1.00 25.51 O ATOM 1382 OE2 GLU A 89 2.177 -22.898 -1.772 1.00 41.21 O ATOM 0 H GLU A 89 4.767 -19.151 -3.521 1.00 52.03 H new ATOM 0 HA GLU A 89 7.086 -20.921 -3.957 1.00 11.05 H new ATOM 0 HB2 GLU A 89 5.648 -22.587 -2.917 1.00 70.44 H new ATOM 0 HB3 GLU A 89 5.738 -21.170 -1.890 1.00 70.44 H new ATOM 0 HG2 GLU A 89 3.501 -20.419 -2.770 1.00 42.33 H new ATOM 0 HG3 GLU A 89 3.410 -21.878 -3.737 1.00 42.33 H new ATOM 1389 N THR A 90 5.356 -20.357 -6.350 1.00 74.11 N ATOM 1390 CA THR A 90 5.065 -20.759 -7.726 1.00 54.41 C ATOM 1391 C THR A 90 5.932 -20.023 -8.741 1.00 72.22 C ATOM 1392 O THR A 90 6.541 -18.986 -8.467 1.00 70.22 O ATOM 1393 CB THR A 90 3.575 -20.577 -8.059 1.00 70.14 C ATOM 1394 OG1 THR A 90 3.236 -19.216 -7.961 1.00 25.24 O ATOM 1395 CG2 THR A 90 2.668 -21.415 -7.166 1.00 63.43 C ATOM 0 H THR A 90 5.356 -19.348 -6.202 1.00 74.11 H new ATOM 0 HA THR A 90 5.309 -21.819 -7.796 1.00 54.41 H new ATOM 0 HB THR A 90 3.420 -20.928 -9.079 1.00 70.14 H new ATOM 0 HG1 THR A 90 3.455 -18.888 -7.064 1.00 25.24 H new ATOM 0 HG21 THR A 90 1.628 -21.248 -7.445 1.00 63.43 H new ATOM 0 HG22 THR A 90 2.911 -22.470 -7.288 1.00 63.43 H new ATOM 0 HG23 THR A 90 2.815 -21.127 -6.125 1.00 63.43 H new ATOM 1403 N ASN A 91 5.951 -20.571 -9.955 1.00 44.21 N ATOM 1404 CA ASN A 91 6.539 -19.963 -11.143 1.00 45.23 C ATOM 1405 C ASN A 91 5.640 -18.892 -11.772 1.00 44.32 C ATOM 1406 O ASN A 91 5.980 -18.363 -12.830 1.00 32.25 O ATOM 1407 CB ASN A 91 6.938 -21.044 -12.151 1.00 10.25 C ATOM 1408 CG ASN A 91 5.763 -21.514 -12.984 1.00 70.14 C ATOM 1409 OD1 ASN A 91 5.509 -21.043 -14.084 1.00 12.14 O ATOM 1410 ND2 ASN A 91 5.007 -22.450 -12.460 1.00 2.22 N ATOM 0 H ASN A 91 5.541 -21.486 -10.143 1.00 44.21 H new ATOM 0 HA ASN A 91 7.441 -19.438 -10.829 1.00 45.23 H new ATOM 0 HB2 ASN A 91 7.715 -20.655 -12.809 1.00 10.25 H new ATOM 0 HB3 ASN A 91 7.367 -21.893 -11.619 1.00 10.25 H new ATOM 0 HD21 ASN A 91 4.194 -22.795 -12.971 1.00 2.22 H new ATOM 0 HD22 ASN A 91 5.232 -22.833 -11.542 1.00 2.22 H new ATOM 1417 N ALA A 92 4.524 -18.546 -11.127 1.00 12.14 N ATOM 1418 CA ALA A 92 3.587 -17.536 -11.584 1.00 45.00 C ATOM 1419 C ALA A 92 3.705 -16.326 -10.672 1.00 44.01 C ATOM 1420 O ALA A 92 3.586 -16.455 -9.452 1.00 23.53 O ATOM 1421 CB ALA A 92 2.162 -18.080 -11.548 1.00 45.40 C ATOM 0 H ALA A 92 4.245 -18.978 -10.246 1.00 12.14 H new ATOM 0 HA ALA A 92 3.818 -17.255 -12.612 1.00 45.00 H new ATOM 0 HB1 ALA A 92 1.470 -17.312 -11.893 1.00 45.40 H new ATOM 0 HB2 ALA A 92 2.089 -18.952 -12.197 1.00 45.40 H new ATOM 0 HB3 ALA A 92 1.907 -18.365 -10.527 1.00 45.40 H new ATOM 1427 N SER A 93 3.935 -15.156 -11.249 1.00 2.25 N ATOM 1428 CA SER A 93 3.864 -13.893 -10.554 1.00 3.32 C ATOM 1429 C SER A 93 2.399 -13.550 -10.259 1.00 50.43 C ATOM 1430 O SER A 93 1.482 -14.157 -10.823 1.00 72.50 O ATOM 1431 CB SER A 93 4.596 -12.833 -11.386 1.00 24.55 C ATOM 1432 OG SER A 93 4.638 -13.059 -12.782 1.00 62.21 O ATOM 0 H SER A 93 4.181 -15.063 -12.235 1.00 2.25 H new ATOM 0 HA SER A 93 4.363 -13.939 -9.586 1.00 3.32 H new ATOM 0 HB2 SER A 93 4.120 -11.868 -11.209 1.00 24.55 H new ATOM 0 HB3 SER A 93 5.620 -12.756 -11.020 1.00 24.55 H new ATOM 0 HG SER A 93 5.365 -13.682 -12.991 1.00 62.21 H new ATOM 1438 N ARG A 94 2.169 -12.602 -9.350 1.00 61.24 N ATOM 1439 CA ARG A 94 0.842 -12.196 -8.894 1.00 43.01 C ATOM 1440 C ARG A 94 0.884 -10.719 -8.517 1.00 2.44 C ATOM 1441 O ARG A 94 1.936 -10.092 -8.615 1.00 12.24 O ATOM 1442 CB ARG A 94 0.387 -13.138 -7.759 1.00 63.11 C ATOM 1443 CG ARG A 94 1.245 -13.126 -6.483 1.00 41.04 C ATOM 1444 CD ARG A 94 0.932 -14.341 -5.599 1.00 3.03 C ATOM 1445 NE ARG A 94 1.876 -14.477 -4.474 1.00 34.13 N ATOM 1446 CZ ARG A 94 1.880 -15.469 -3.575 1.00 12.23 C ATOM 1447 NH1 ARG A 94 0.940 -16.406 -3.550 1.00 24.41 N ATOM 1448 NH2 ARG A 94 2.843 -15.527 -2.679 1.00 25.11 N ATOM 0 H ARG A 94 2.922 -12.082 -8.899 1.00 61.24 H new ATOM 0 HA ARG A 94 0.091 -12.290 -9.679 1.00 43.01 H new ATOM 0 HB2 ARG A 94 -0.636 -12.878 -7.487 1.00 63.11 H new ATOM 0 HB3 ARG A 94 0.364 -14.156 -8.147 1.00 63.11 H new ATOM 0 HG2 ARG A 94 2.302 -13.129 -6.751 1.00 41.04 H new ATOM 0 HG3 ARG A 94 1.060 -12.208 -5.925 1.00 41.04 H new ATOM 0 HD2 ARG A 94 -0.082 -14.252 -5.210 1.00 3.03 H new ATOM 0 HD3 ARG A 94 0.962 -15.246 -6.206 1.00 3.03 H new ATOM 0 HE ARG A 94 2.587 -13.753 -4.372 1.00 34.13 H new ATOM 0 HH11 ARG A 94 0.181 -16.385 -4.231 1.00 24.41 H new ATOM 0 HH12 ARG A 94 0.977 -17.147 -2.850 1.00 24.41 H new ATOM 0 HH21 ARG A 94 3.578 -14.820 -2.674 1.00 25.11 H new ATOM 0 HH22 ARG A 94 2.854 -16.279 -1.990 1.00 25.11 H new ATOM 1462 N SER A 95 -0.217 -10.120 -8.073 1.00 50.21 N ATOM 1463 CA SER A 95 -0.197 -8.750 -7.560 1.00 70.34 C ATOM 1464 C SER A 95 -1.007 -8.613 -6.275 1.00 5.15 C ATOM 1465 O SER A 95 -1.743 -9.518 -5.874 1.00 25.21 O ATOM 1466 CB SER A 95 -0.594 -7.737 -8.656 1.00 1.33 C ATOM 1467 OG SER A 95 -1.747 -8.115 -9.395 1.00 11.23 O ATOM 0 H SER A 95 -1.137 -10.561 -8.057 1.00 50.21 H new ATOM 0 HA SER A 95 0.828 -8.506 -7.282 1.00 70.34 H new ATOM 0 HB2 SER A 95 -0.772 -6.766 -8.193 1.00 1.33 H new ATOM 0 HB3 SER A 95 0.243 -7.613 -9.344 1.00 1.33 H new ATOM 0 HG SER A 95 -1.943 -7.431 -10.069 1.00 11.23 H new ATOM 1473 N PHE A 96 -0.843 -7.473 -5.616 1.00 31.24 N ATOM 1474 CA PHE A 96 -1.571 -7.042 -4.437 1.00 33.32 C ATOM 1475 C PHE A 96 -1.989 -5.604 -4.678 1.00 73.24 C ATOM 1476 O PHE A 96 -1.416 -4.933 -5.537 1.00 61.31 O ATOM 1477 CB PHE A 96 -0.653 -7.085 -3.202 1.00 54.24 C ATOM 1478 CG PHE A 96 -1.185 -7.869 -2.032 1.00 21.51 C ATOM 1479 CD1 PHE A 96 -1.045 -9.262 -2.033 1.00 23.32 C ATOM 1480 CD2 PHE A 96 -1.790 -7.224 -0.938 1.00 54.31 C ATOM 1481 CE1 PHE A 96 -1.565 -10.020 -0.968 1.00 65.43 C ATOM 1482 CE2 PHE A 96 -2.295 -7.985 0.131 1.00 5.11 C ATOM 1483 CZ PHE A 96 -2.203 -9.385 0.109 1.00 50.24 C ATOM 0 H PHE A 96 -0.153 -6.783 -5.913 1.00 31.24 H new ATOM 0 HA PHE A 96 -2.428 -7.692 -4.261 1.00 33.32 H new ATOM 0 HB2 PHE A 96 0.306 -7.510 -3.497 1.00 54.24 H new ATOM 0 HB3 PHE A 96 -0.462 -6.063 -2.876 1.00 54.24 H new ATOM 0 HD1 PHE A 96 -0.539 -9.754 -2.850 1.00 23.32 H new ATOM 0 HD2 PHE A 96 -1.866 -6.147 -0.919 1.00 54.31 H new ATOM 0 HE1 PHE A 96 -1.473 -11.096 -0.979 1.00 65.43 H new ATOM 0 HE2 PHE A 96 -2.756 -7.490 0.973 1.00 5.11 H new ATOM 0 HZ PHE A 96 -2.620 -9.970 0.915 1.00 50.24 H new ATOM 1493 N THR A 97 -2.864 -5.088 -3.827 1.00 63.44 N ATOM 1494 CA THR A 97 -3.202 -3.677 -3.837 1.00 25.14 C ATOM 1495 C THR A 97 -3.253 -3.210 -2.393 1.00 21.54 C ATOM 1496 O THR A 97 -4.109 -3.668 -1.633 1.00 11.23 O ATOM 1497 CB THR A 97 -4.523 -3.452 -4.584 1.00 30.31 C ATOM 1498 OG1 THR A 97 -4.473 -4.040 -5.868 1.00 33.45 O ATOM 1499 CG2 THR A 97 -4.763 -1.974 -4.770 1.00 33.53 C ATOM 0 H THR A 97 -3.354 -5.632 -3.117 1.00 63.44 H new ATOM 0 HA THR A 97 -2.453 -3.091 -4.370 1.00 25.14 H new ATOM 0 HB THR A 97 -5.321 -3.903 -3.994 1.00 30.31 H new ATOM 0 HG1 THR A 97 -5.324 -3.889 -6.330 1.00 33.45 H new ATOM 0 HG21 THR A 97 -5.703 -1.822 -5.301 1.00 33.53 H new ATOM 0 HG22 THR A 97 -4.814 -1.488 -3.796 1.00 33.53 H new ATOM 0 HG23 THR A 97 -3.946 -1.543 -5.348 1.00 33.53 H new ATOM 1507 N VAL A 98 -2.316 -2.347 -2.001 1.00 33.31 N ATOM 1508 CA VAL A 98 -2.383 -1.616 -0.750 1.00 71.50 C ATOM 1509 C VAL A 98 -3.206 -0.360 -1.046 1.00 53.43 C ATOM 1510 O VAL A 98 -2.659 0.695 -1.382 1.00 13.24 O ATOM 1511 CB VAL A 98 -0.957 -1.352 -0.233 1.00 3.42 C ATOM 1512 CG1 VAL A 98 -0.921 -0.869 1.215 1.00 33.52 C ATOM 1513 CG2 VAL A 98 -0.114 -2.627 -0.246 1.00 72.20 C ATOM 0 H VAL A 98 -1.484 -2.138 -2.553 1.00 33.31 H new ATOM 0 HA VAL A 98 -2.870 -2.163 0.057 1.00 71.50 H new ATOM 0 HB VAL A 98 -0.567 -0.587 -0.904 1.00 3.42 H new ATOM 0 HG11 VAL A 98 0.113 -0.702 1.517 1.00 33.52 H new ATOM 0 HG12 VAL A 98 -1.480 0.063 1.302 1.00 33.52 H new ATOM 0 HG13 VAL A 98 -1.370 -1.623 1.861 1.00 33.52 H new ATOM 0 HG21 VAL A 98 0.887 -2.405 0.125 1.00 72.20 H new ATOM 0 HG22 VAL A 98 -0.580 -3.378 0.393 1.00 72.20 H new ATOM 0 HG23 VAL A 98 -0.047 -3.009 -1.265 1.00 72.20 H new ATOM 1523 N CYS A 99 -4.531 -0.511 -1.035 1.00 72.12 N ATOM 1524 CA CYS A 99 -5.476 0.589 -1.020 1.00 50.33 C ATOM 1525 C CYS A 99 -5.453 1.174 0.391 1.00 3.05 C ATOM 1526 O CYS A 99 -5.582 0.423 1.364 1.00 61.41 O ATOM 1527 CB CYS A 99 -6.863 0.036 -1.372 1.00 12.25 C ATOM 1528 SG CYS A 99 -7.956 1.359 -1.942 1.00 1.45 S ATOM 0 H CYS A 99 -4.980 -1.427 -1.036 1.00 72.12 H new ATOM 0 HA CYS A 99 -5.225 1.366 -1.742 1.00 50.33 H new ATOM 0 HB2 CYS A 99 -6.770 -0.725 -2.147 1.00 12.25 H new ATOM 0 HB3 CYS A 99 -7.298 -0.450 -0.499 1.00 12.25 H new ATOM 0 HG CYS A 99 -9.121 0.863 -2.235 1.00 1.45 H new ATOM 1534 N VAL A 100 -5.299 2.490 0.506 1.00 43.23 N ATOM 1535 CA VAL A 100 -5.366 3.190 1.789 1.00 72.54 C ATOM 1536 C VAL A 100 -6.238 4.430 1.664 1.00 24.31 C ATOM 1537 O VAL A 100 -6.342 5.000 0.582 1.00 50.21 O ATOM 1538 CB VAL A 100 -3.963 3.529 2.344 1.00 31.22 C ATOM 1539 CG1 VAL A 100 -3.224 2.260 2.781 1.00 53.32 C ATOM 1540 CG2 VAL A 100 -3.076 4.336 1.377 1.00 54.11 C ATOM 0 H VAL A 100 -5.124 3.104 -0.289 1.00 43.23 H new ATOM 0 HA VAL A 100 -5.825 2.518 2.514 1.00 72.54 H new ATOM 0 HB VAL A 100 -4.148 4.172 3.205 1.00 31.22 H new ATOM 0 HG11 VAL A 100 -2.240 2.527 3.167 1.00 53.32 H new ATOM 0 HG12 VAL A 100 -3.796 1.756 3.561 1.00 53.32 H new ATOM 0 HG13 VAL A 100 -3.110 1.593 1.927 1.00 53.32 H new ATOM 0 HG21 VAL A 100 -2.111 4.530 1.845 1.00 54.11 H new ATOM 0 HG22 VAL A 100 -2.926 3.767 0.460 1.00 54.11 H new ATOM 0 HG23 VAL A 100 -3.562 5.283 1.141 1.00 54.11 H new ATOM 1550 N GLU A 101 -6.814 4.877 2.776 1.00 45.30 N ATOM 1551 CA GLU A 101 -7.621 6.086 2.857 1.00 73.30 C ATOM 1552 C GLU A 101 -7.147 6.856 4.082 1.00 11.35 C ATOM 1553 O GLU A 101 -6.770 6.233 5.078 1.00 71.13 O ATOM 1554 CB GLU A 101 -9.100 5.683 2.918 1.00 73.14 C ATOM 1555 CG GLU A 101 -10.065 6.873 2.996 1.00 21.44 C ATOM 1556 CD GLU A 101 -11.422 6.462 2.419 1.00 1.15 C ATOM 1557 OE1 GLU A 101 -12.191 5.716 3.072 1.00 50.02 O ATOM 1558 OE2 GLU A 101 -11.649 6.741 1.221 1.00 42.13 O ATOM 0 H GLU A 101 -6.729 4.393 3.670 1.00 45.30 H new ATOM 0 HA GLU A 101 -7.512 6.734 1.987 1.00 73.30 H new ATOM 0 HB2 GLU A 101 -9.341 5.089 2.036 1.00 73.14 H new ATOM 0 HB3 GLU A 101 -9.257 5.043 3.786 1.00 73.14 H new ATOM 0 HG2 GLU A 101 -10.180 7.196 4.031 1.00 21.44 H new ATOM 0 HG3 GLU A 101 -9.662 7.720 2.441 1.00 21.44 H new ATOM 1565 N ALA A 102 -7.125 8.189 4.001 1.00 11.03 N ATOM 1566 CA ALA A 102 -6.793 9.105 5.086 1.00 50.32 C ATOM 1567 C ALA A 102 -7.794 10.267 5.096 1.00 72.20 C ATOM 1568 O ALA A 102 -8.901 10.118 4.583 1.00 64.43 O ATOM 1569 CB ALA A 102 -5.320 9.554 5.018 1.00 50.20 C ATOM 0 H ALA A 102 -7.349 8.678 3.134 1.00 11.03 H new ATOM 0 HA ALA A 102 -6.885 8.590 6.042 1.00 50.32 H new ATOM 0 HB1 ALA A 102 -5.109 10.236 5.842 1.00 50.20 H new ATOM 0 HB2 ALA A 102 -4.670 8.682 5.093 1.00 50.20 H new ATOM 0 HB3 ALA A 102 -5.138 10.062 4.071 1.00 50.20 H new ATOM 1575 N GLY A 103 -7.431 11.393 5.724 1.00 34.55 N ATOM 1576 CA GLY A 103 -8.336 12.447 6.173 1.00 33.41 C ATOM 1577 C GLY A 103 -9.395 12.826 5.145 1.00 51.13 C ATOM 1578 O GLY A 103 -10.588 12.736 5.456 1.00 25.53 O ATOM 0 H GLY A 103 -6.456 11.598 5.940 1.00 34.55 H new ATOM 0 HA2 GLY A 103 -8.831 12.123 7.088 1.00 33.41 H new ATOM 0 HA3 GLY A 103 -7.752 13.333 6.423 1.00 33.41 H new ATOM 1582 N ASN A 104 -8.974 13.230 3.939 1.00 31.52 N ATOM 1583 CA ASN A 104 -9.867 13.636 2.868 1.00 12.00 C ATOM 1584 C ASN A 104 -9.519 13.017 1.509 1.00 30.23 C ATOM 1585 O ASN A 104 -10.246 13.278 0.549 1.00 45.45 O ATOM 1586 CB ASN A 104 -9.867 15.169 2.787 1.00 12.11 C ATOM 1587 CG ASN A 104 -10.965 15.785 3.642 1.00 71.12 C ATOM 1588 OD1 ASN A 104 -10.672 16.540 4.565 1.00 64.14 O ATOM 1589 ND2 ASN A 104 -12.221 15.455 3.373 1.00 2.11 N ATOM 0 H ASN A 104 -7.987 13.281 3.686 1.00 31.52 H new ATOM 0 HA ASN A 104 -10.863 13.263 3.107 1.00 12.00 H new ATOM 0 HB2 ASN A 104 -8.898 15.549 3.112 1.00 12.11 H new ATOM 0 HB3 ASN A 104 -9.999 15.477 1.750 1.00 12.11 H new ATOM 0 HD21 ASN A 104 -12.980 15.831 3.941 1.00 2.11 H new ATOM 0 HD22 ASN A 104 -12.428 14.825 2.598 1.00 2.11 H new ATOM 1596 N ALA A 105 -8.457 12.215 1.390 1.00 4.02 N ATOM 1597 CA ALA A 105 -8.092 11.531 0.153 1.00 74.53 C ATOM 1598 C ALA A 105 -7.704 10.072 0.419 1.00 2.31 C ATOM 1599 O ALA A 105 -7.621 9.645 1.576 1.00 5.42 O ATOM 1600 CB ALA A 105 -6.971 12.314 -0.549 1.00 63.51 C ATOM 0 H ALA A 105 -7.820 12.022 2.163 1.00 4.02 H new ATOM 0 HA ALA A 105 -8.955 11.500 -0.512 1.00 74.53 H new ATOM 0 HB1 ALA A 105 -6.696 11.806 -1.473 1.00 63.51 H new ATOM 0 HB2 ALA A 105 -7.319 13.321 -0.778 1.00 63.51 H new ATOM 0 HB3 ALA A 105 -6.102 12.371 0.106 1.00 63.51 H new ATOM 1606 N PHE A 106 -7.401 9.327 -0.640 1.00 53.33 N ATOM 1607 CA PHE A 106 -7.002 7.924 -0.611 1.00 52.20 C ATOM 1608 C PHE A 106 -5.895 7.686 -1.632 1.00 22.33 C ATOM 1609 O PHE A 106 -5.701 8.485 -2.550 1.00 45.02 O ATOM 1610 CB PHE A 106 -8.214 7.010 -0.883 1.00 32.45 C ATOM 1611 CG PHE A 106 -9.241 7.572 -1.847 1.00 24.52 C ATOM 1612 CD1 PHE A 106 -9.118 7.332 -3.223 1.00 4.32 C ATOM 1613 CD2 PHE A 106 -10.285 8.387 -1.377 1.00 71.34 C ATOM 1614 CE1 PHE A 106 -9.990 7.937 -4.139 1.00 10.15 C ATOM 1615 CE2 PHE A 106 -11.151 9.006 -2.295 1.00 10.12 C ATOM 1616 CZ PHE A 106 -11.000 8.793 -3.677 1.00 32.23 C ATOM 0 H PHE A 106 -7.428 9.704 -1.587 1.00 53.33 H new ATOM 0 HA PHE A 106 -6.620 7.680 0.380 1.00 52.20 H new ATOM 0 HB2 PHE A 106 -7.852 6.060 -1.276 1.00 32.45 H new ATOM 0 HB3 PHE A 106 -8.708 6.796 0.065 1.00 32.45 H new ATOM 0 HD1 PHE A 106 -8.342 6.673 -3.582 1.00 4.32 H new ATOM 0 HD2 PHE A 106 -10.421 8.537 -0.316 1.00 71.34 H new ATOM 0 HE1 PHE A 106 -9.884 7.745 -5.196 1.00 10.15 H new ATOM 0 HE2 PHE A 106 -11.939 9.651 -1.936 1.00 10.12 H new ATOM 0 HZ PHE A 106 -11.658 9.286 -4.378 1.00 32.23 H new ATOM 1626 N ASP A 107 -5.199 6.560 -1.500 1.00 53.11 N ATOM 1627 CA ASP A 107 -4.075 6.152 -2.329 1.00 25.51 C ATOM 1628 C ASP A 107 -4.207 4.665 -2.635 1.00 4.42 C ATOM 1629 O ASP A 107 -4.930 3.932 -1.957 1.00 12.11 O ATOM 1630 CB ASP A 107 -2.736 6.440 -1.611 1.00 74.42 C ATOM 1631 CG ASP A 107 -1.872 7.509 -2.278 1.00 10.04 C ATOM 1632 OD1 ASP A 107 -2.215 8.000 -3.379 1.00 5.33 O ATOM 1633 OD2 ASP A 107 -0.807 7.823 -1.710 1.00 31.41 O ATOM 0 H ASP A 107 -5.417 5.876 -0.776 1.00 53.11 H new ATOM 0 HA ASP A 107 -4.083 6.720 -3.259 1.00 25.51 H new ATOM 0 HB2 ASP A 107 -2.947 6.749 -0.587 1.00 74.42 H new ATOM 0 HB3 ASP A 107 -2.164 5.514 -1.553 1.00 74.42 H new ATOM 1638 N GLU A 108 -3.518 4.199 -3.669 1.00 74.14 N ATOM 1639 CA GLU A 108 -3.514 2.797 -4.062 1.00 51.03 C ATOM 1640 C GLU A 108 -2.144 2.418 -4.629 1.00 21.34 C ATOM 1641 O GLU A 108 -1.711 2.994 -5.634 1.00 33.12 O ATOM 1642 CB GLU A 108 -4.642 2.562 -5.080 1.00 41.14 C ATOM 1643 CG GLU A 108 -4.901 1.076 -5.289 1.00 70.51 C ATOM 1644 CD GLU A 108 -5.519 0.708 -6.655 1.00 5.01 C ATOM 1645 OE1 GLU A 108 -6.693 1.078 -6.916 1.00 13.31 O ATOM 1646 OE2 GLU A 108 -4.906 -0.066 -7.424 1.00 74.10 O ATOM 0 H GLU A 108 -2.940 4.792 -4.265 1.00 74.14 H new ATOM 0 HA GLU A 108 -3.694 2.159 -3.197 1.00 51.03 H new ATOM 0 HB2 GLU A 108 -5.554 3.047 -4.733 1.00 41.14 H new ATOM 0 HB3 GLU A 108 -4.378 3.024 -6.031 1.00 41.14 H new ATOM 0 HG2 GLU A 108 -3.959 0.539 -5.177 1.00 70.51 H new ATOM 0 HG3 GLU A 108 -5.565 0.724 -4.500 1.00 70.51 H new ATOM 1653 N PHE A 109 -1.463 1.449 -4.004 1.00 2.44 N ATOM 1654 CA PHE A 109 -0.191 0.918 -4.478 1.00 62.10 C ATOM 1655 C PHE A 109 -0.381 -0.521 -4.966 1.00 72.41 C ATOM 1656 O PHE A 109 -0.541 -1.440 -4.154 1.00 14.45 O ATOM 1657 CB PHE A 109 0.867 0.980 -3.368 1.00 42.42 C ATOM 1658 CG PHE A 109 1.094 2.316 -2.681 1.00 14.15 C ATOM 1659 CD1 PHE A 109 0.937 3.542 -3.361 1.00 13.32 C ATOM 1660 CD2 PHE A 109 1.489 2.320 -1.329 1.00 11.33 C ATOM 1661 CE1 PHE A 109 1.188 4.750 -2.695 1.00 52.22 C ATOM 1662 CE2 PHE A 109 1.695 3.532 -0.650 1.00 73.44 C ATOM 1663 CZ PHE A 109 1.572 4.740 -1.348 1.00 24.43 C ATOM 0 H PHE A 109 -1.790 1.010 -3.143 1.00 2.44 H new ATOM 0 HA PHE A 109 0.160 1.528 -5.310 1.00 62.10 H new ATOM 0 HB2 PHE A 109 0.594 0.252 -2.604 1.00 42.42 H new ATOM 0 HB3 PHE A 109 1.817 0.656 -3.792 1.00 42.42 H new ATOM 0 HD1 PHE A 109 0.624 3.550 -4.394 1.00 13.32 H new ATOM 0 HD2 PHE A 109 1.635 1.384 -0.811 1.00 11.33 H new ATOM 0 HE1 PHE A 109 1.085 5.688 -3.220 1.00 52.22 H new ATOM 0 HE2 PHE A 109 1.946 3.533 0.400 1.00 73.44 H new ATOM 0 HZ PHE A 109 1.775 5.673 -0.843 1.00 24.43 H new ATOM 1673 N LYS A 110 -0.388 -0.731 -6.283 1.00 61.30 N ATOM 1674 CA LYS A 110 -0.389 -2.057 -6.889 1.00 41.34 C ATOM 1675 C LYS A 110 0.975 -2.714 -6.669 1.00 62.53 C ATOM 1676 O LYS A 110 1.930 -2.431 -7.393 1.00 21.33 O ATOM 1677 CB LYS A 110 -0.794 -1.983 -8.363 1.00 4.25 C ATOM 1678 CG LYS A 110 -1.229 -3.390 -8.810 1.00 11.33 C ATOM 1679 CD LYS A 110 -1.043 -3.582 -10.307 1.00 62.41 C ATOM 1680 CE LYS A 110 -2.074 -2.794 -11.126 1.00 32.32 C ATOM 1681 NZ LYS A 110 -1.694 -2.690 -12.553 1.00 14.21 N ATOM 0 H LYS A 110 -0.393 0.027 -6.965 1.00 61.30 H new ATOM 0 HA LYS A 110 -1.137 -2.687 -6.408 1.00 41.34 H new ATOM 0 HB2 LYS A 110 -1.609 -1.272 -8.499 1.00 4.25 H new ATOM 0 HB3 LYS A 110 0.040 -1.632 -8.970 1.00 4.25 H new ATOM 0 HG2 LYS A 110 -0.649 -4.139 -8.271 1.00 11.33 H new ATOM 0 HG3 LYS A 110 -2.275 -3.548 -8.549 1.00 11.33 H new ATOM 0 HD2 LYS A 110 -0.039 -3.266 -10.590 1.00 62.41 H new ATOM 0 HD3 LYS A 110 -1.124 -4.642 -10.548 1.00 62.41 H new ATOM 0 HE2 LYS A 110 -3.047 -3.279 -11.045 1.00 32.32 H new ATOM 0 HE3 LYS A 110 -2.181 -1.794 -10.706 1.00 32.32 H new ATOM 0 HZ1 LYS A 110 -2.419 -2.150 -13.067 1.00 14.21 H new ATOM 0 HZ2 LYS A 110 -0.778 -2.204 -12.634 1.00 14.21 H new ATOM 0 HZ3 LYS A 110 -1.617 -3.643 -12.962 1.00 14.21 H new ATOM 1695 N PHE A 111 1.098 -3.591 -5.676 1.00 44.33 N ATOM 1696 CA PHE A 111 2.252 -4.478 -5.613 1.00 1.45 C ATOM 1697 C PHE A 111 2.169 -5.491 -6.731 1.00 73.32 C ATOM 1698 O PHE A 111 1.078 -5.893 -7.124 1.00 30.21 O ATOM 1699 CB PHE A 111 2.336 -5.225 -4.287 1.00 10.03 C ATOM 1700 CG PHE A 111 3.135 -4.478 -3.260 1.00 24.45 C ATOM 1701 CD1 PHE A 111 2.516 -3.367 -2.661 1.00 10.13 C ATOM 1702 CD2 PHE A 111 4.473 -4.827 -2.957 1.00 61.52 C ATOM 1703 CE1 PHE A 111 3.184 -2.599 -1.703 1.00 21.45 C ATOM 1704 CE2 PHE A 111 5.154 -4.025 -2.017 1.00 32.53 C ATOM 1705 CZ PHE A 111 4.513 -2.942 -1.376 1.00 50.04 C ATOM 0 H PHE A 111 0.425 -3.705 -4.918 1.00 44.33 H new ATOM 0 HA PHE A 111 3.143 -3.857 -5.711 1.00 1.45 H new ATOM 0 HB2 PHE A 111 1.330 -5.397 -3.906 1.00 10.03 H new ATOM 0 HB3 PHE A 111 2.786 -6.204 -4.452 1.00 10.03 H new ATOM 0 HD1 PHE A 111 1.508 -3.103 -2.946 1.00 10.13 H new ATOM 0 HD2 PHE A 111 4.953 -5.673 -3.426 1.00 61.52 H new ATOM 0 HE1 PHE A 111 2.695 -1.763 -1.225 1.00 21.45 H new ATOM 0 HE2 PHE A 111 6.185 -4.243 -1.783 1.00 32.53 H new ATOM 0 HZ PHE A 111 5.045 -2.371 -0.629 1.00 50.04 H new ATOM 1715 N VAL A 112 3.313 -5.978 -7.186 1.00 12.01 N ATOM 1716 CA VAL A 112 3.390 -7.016 -8.189 1.00 1.33 C ATOM 1717 C VAL A 112 4.504 -7.937 -7.745 1.00 14.11 C ATOM 1718 O VAL A 112 5.693 -7.617 -7.872 1.00 71.42 O ATOM 1719 CB VAL A 112 3.592 -6.413 -9.587 1.00 4.42 C ATOM 1720 CG1 VAL A 112 3.622 -7.506 -10.656 1.00 74.31 C ATOM 1721 CG2 VAL A 112 2.591 -5.309 -9.949 1.00 43.10 C ATOM 0 H VAL A 112 4.224 -5.655 -6.861 1.00 12.01 H new ATOM 0 HA VAL A 112 2.465 -7.585 -8.277 1.00 1.33 H new ATOM 0 HB VAL A 112 4.564 -5.920 -9.555 1.00 4.42 H new ATOM 0 HG11 VAL A 112 3.766 -7.052 -11.636 1.00 74.31 H new ATOM 0 HG12 VAL A 112 4.442 -8.194 -10.450 1.00 74.31 H new ATOM 0 HG13 VAL A 112 2.679 -8.052 -10.644 1.00 74.31 H new ATOM 0 HG21 VAL A 112 2.805 -4.939 -10.952 1.00 43.10 H new ATOM 0 HG22 VAL A 112 1.579 -5.712 -9.919 1.00 43.10 H new ATOM 0 HG23 VAL A 112 2.677 -4.491 -9.234 1.00 43.10 H new ATOM 1731 N GLN A 113 4.088 -9.061 -7.165 1.00 64.14 N ATOM 1732 CA GLN A 113 5.014 -10.070 -6.755 1.00 42.24 C ATOM 1733 C GLN A 113 5.504 -10.886 -7.936 1.00 13.31 C ATOM 1734 O GLN A 113 4.712 -11.406 -8.721 1.00 24.41 O ATOM 1735 CB GLN A 113 4.503 -10.885 -5.564 1.00 53.24 C ATOM 1736 CG GLN A 113 5.435 -12.065 -5.276 1.00 1.01 C ATOM 1737 CD GLN A 113 5.374 -12.590 -3.850 1.00 5.21 C ATOM 1738 OE1 GLN A 113 4.421 -13.267 -3.483 1.00 30.43 O ATOM 1739 NE2 GLN A 113 6.403 -12.320 -3.055 1.00 72.11 N ATOM 0 H GLN A 113 3.110 -9.280 -6.976 1.00 64.14 H new ATOM 0 HA GLN A 113 5.905 -9.577 -6.366 1.00 42.24 H new ATOM 0 HB2 GLN A 113 4.433 -10.247 -4.683 1.00 53.24 H new ATOM 0 HB3 GLN A 113 3.498 -11.251 -5.772 1.00 53.24 H new ATOM 0 HG2 GLN A 113 5.190 -12.879 -5.959 1.00 1.01 H new ATOM 0 HG3 GLN A 113 6.459 -11.763 -5.494 1.00 1.01 H new ATOM 0 HE21 GLN A 113 7.178 -11.752 -3.399 1.00 72.11 H new ATOM 0 HE22 GLN A 113 6.419 -12.680 -2.101 1.00 72.11 H new ATOM 1748 N ASP A 114 6.830 -10.991 -8.028 1.00 70.23 N ATOM 1749 CA ASP A 114 7.450 -11.844 -9.062 1.00 10.34 C ATOM 1750 C ASP A 114 7.144 -13.347 -8.932 1.00 54.23 C ATOM 1751 O ASP A 114 6.431 -13.793 -8.028 1.00 44.14 O ATOM 1752 CB ASP A 114 8.957 -11.582 -9.252 1.00 45.00 C ATOM 1753 CG ASP A 114 9.119 -10.983 -10.654 1.00 24.25 C ATOM 1754 OD1 ASP A 114 8.759 -9.807 -10.853 1.00 64.34 O ATOM 1755 OD2 ASP A 114 9.382 -11.763 -11.602 1.00 13.13 O ATOM 0 H ASP A 114 7.490 -10.510 -7.417 1.00 70.23 H new ATOM 0 HA ASP A 114 6.952 -11.527 -9.978 1.00 10.34 H new ATOM 0 HB2 ASP A 114 9.331 -10.897 -8.491 1.00 45.00 H new ATOM 0 HB3 ASP A 114 9.527 -12.506 -9.156 1.00 45.00 H new ATOM 1760 N ALA A 115 7.666 -14.153 -9.854 1.00 42.42 N ATOM 1761 CA ALA A 115 7.649 -15.609 -9.816 1.00 64.31 C ATOM 1762 C ALA A 115 8.949 -16.176 -9.244 1.00 41.30 C ATOM 1763 O ALA A 115 10.018 -15.589 -9.421 1.00 43.23 O ATOM 1764 CB ALA A 115 7.519 -16.084 -11.257 1.00 13.05 C ATOM 0 H ALA A 115 8.133 -13.790 -10.685 1.00 42.42 H new ATOM 0 HA ALA A 115 6.828 -15.944 -9.183 1.00 64.31 H new ATOM 0 HB1 ALA A 115 7.502 -17.174 -11.281 1.00 13.05 H new ATOM 0 HB2 ALA A 115 6.595 -15.697 -11.686 1.00 13.05 H new ATOM 0 HB3 ALA A 115 8.368 -15.722 -11.837 1.00 13.05 H new ATOM 1770 N ALA A 116 8.878 -17.356 -8.627 1.00 4.15 N ATOM 1771 CA ALA A 116 10.041 -18.124 -8.198 1.00 31.44 C ATOM 1772 C ALA A 116 10.343 -19.181 -9.257 1.00 25.44 C ATOM 1773 O ALA A 116 9.472 -19.981 -9.604 1.00 74.33 O ATOM 1774 CB ALA A 116 9.761 -18.778 -6.844 1.00 74.12 C ATOM 0 H ALA A 116 7.992 -17.811 -8.408 1.00 4.15 H new ATOM 0 HA ALA A 116 10.905 -17.469 -8.085 1.00 31.44 H new ATOM 0 HB1 ALA A 116 10.634 -19.350 -6.529 1.00 74.12 H new ATOM 0 HB2 ALA A 116 9.547 -18.006 -6.105 1.00 74.12 H new ATOM 0 HB3 ALA A 116 8.903 -19.444 -6.932 1.00 74.12 H new ATOM 1780 N LYS A 117 11.558 -19.176 -9.803 1.00 25.14 N ATOM 1781 CA LYS A 117 11.993 -20.108 -10.842 1.00 22.43 C ATOM 1782 C LYS A 117 12.546 -21.369 -10.183 1.00 50.11 C ATOM 1783 O LYS A 117 13.740 -21.652 -10.294 1.00 54.22 O ATOM 1784 CB LYS A 117 13.006 -19.403 -11.760 1.00 12.43 C ATOM 1785 CG LYS A 117 13.267 -20.190 -13.055 1.00 52.04 C ATOM 1786 CD LYS A 117 14.425 -19.590 -13.863 1.00 41.32 C ATOM 1787 CE LYS A 117 14.628 -20.439 -15.123 1.00 4.03 C ATOM 1788 NZ LYS A 117 15.706 -19.929 -15.996 1.00 14.24 N ATOM 0 H LYS A 117 12.282 -18.511 -9.530 1.00 25.14 H new ATOM 0 HA LYS A 117 11.159 -20.419 -11.471 1.00 22.43 H new ATOM 0 HB2 LYS A 117 12.636 -18.409 -12.010 1.00 12.43 H new ATOM 0 HB3 LYS A 117 13.946 -19.268 -11.224 1.00 12.43 H new ATOM 0 HG2 LYS A 117 13.494 -21.228 -12.810 1.00 52.04 H new ATOM 0 HG3 LYS A 117 12.363 -20.197 -13.665 1.00 52.04 H new ATOM 0 HD2 LYS A 117 14.204 -18.557 -14.133 1.00 41.32 H new ATOM 0 HD3 LYS A 117 15.336 -19.575 -13.265 1.00 41.32 H new ATOM 0 HE2 LYS A 117 14.859 -21.463 -14.831 1.00 4.03 H new ATOM 0 HE3 LYS A 117 13.696 -20.471 -15.687 1.00 4.03 H new ATOM 0 HZ1 LYS A 117 15.796 -20.543 -16.831 1.00 14.24 H new ATOM 0 HZ2 LYS A 117 15.477 -18.961 -16.301 1.00 14.24 H new ATOM 0 HZ3 LYS A 117 16.604 -19.923 -15.471 1.00 14.24 H new ATOM 1802 N GLN A 118 11.713 -22.099 -9.451 1.00 13.01 N ATOM 1803 CA GLN A 118 12.096 -23.302 -8.733 1.00 4.01 C ATOM 1804 C GLN A 118 11.079 -24.395 -8.998 1.00 43.41 C ATOM 1805 O GLN A 118 10.097 -24.125 -9.726 1.00 62.52 O ATOM 1806 CB GLN A 118 12.287 -22.985 -7.244 1.00 54.24 C ATOM 1807 CG GLN A 118 11.012 -22.606 -6.474 1.00 22.31 C ATOM 1808 CD GLN A 118 11.296 -22.119 -5.049 1.00 41.22 C ATOM 1809 OE1 GLN A 118 10.638 -21.207 -4.551 1.00 30.12 O ATOM 1810 NE2 GLN A 118 12.290 -22.673 -4.367 1.00 74.52 N ATOM 0 H GLN A 118 10.727 -21.862 -9.339 1.00 13.01 H new ATOM 0 HA GLN A 118 13.056 -23.674 -9.090 1.00 4.01 H new ATOM 0 HB2 GLN A 118 12.736 -23.853 -6.761 1.00 54.24 H new ATOM 0 HB3 GLN A 118 13.000 -22.166 -7.154 1.00 54.24 H new ATOM 0 HG2 GLN A 118 10.483 -21.825 -7.020 1.00 22.31 H new ATOM 0 HG3 GLN A 118 10.349 -23.470 -6.431 1.00 22.31 H new ATOM 0 HE21 GLN A 118 12.834 -23.429 -4.782 1.00 74.52 H new ATOM 0 HE22 GLN A 118 12.510 -22.343 -3.427 1.00 74.52 H new