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= 1.23 K(o=1.2,f=-5.2!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 MET CE :methyl 171:sc= -0.0818 (180deg=-0.266) USER MOD Set 2.2: A 41 CYS SG : rot 90:sc= -0.858 USER MOD Set 2.3: A 43 ASN : amide:sc= 0.389 K(o=-0.55,f=-5.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.39) 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 -145:sc= -0.331 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.247 USER MOD Single : A 51 SER OG : rot 180:sc= 0 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+ -164:sc= 0.776 (180deg=0.596) USER MOD Single : A 61 ASN : amide:sc= 1.39 K(o=1.4,f=-3.7!) USER MOD Single : A 62 THR OG1 : rot -25:sc= 0.185 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -25:sc= 0.00836 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=-1.6) USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= 1.22 (180deg=1.1) USER MOD Single : A 86 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.16) USER MOD Single : A 91 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.85) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -161:sc= -1.35 USER MOD Single : A 99 CYS SG : rot -108:sc= 0.133 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -133:sc= 0.978 (180deg=-0.394) USER MOD Single : A 113 GLN : amide:sc= -0.0425 K(o=-0.042,f=-1.8) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -1.763 12.595 -0.430 1.00 14.51 N ATOM 165 CA MET A 14 -1.114 12.506 0.877 1.00 55.55 C ATOM 166 C MET A 14 0.394 12.691 0.685 1.00 52.52 C ATOM 167 O MET A 14 0.968 12.122 -0.249 1.00 43.34 O ATOM 168 CB MET A 14 -1.390 11.143 1.541 1.00 23.13 C ATOM 169 CG MET A 14 -2.871 10.744 1.592 1.00 40.32 C ATOM 170 SD MET A 14 -3.217 9.079 2.244 1.00 4.51 S ATOM 171 CE MET A 14 -2.269 9.058 3.789 1.00 22.14 C ATOM 0 HA MET A 14 -1.514 13.283 1.528 1.00 55.55 H new ATOM 0 HB2 MET A 14 -0.838 10.373 1.002 1.00 23.13 H new ATOM 0 HB3 MET A 14 -0.998 11.163 2.558 1.00 23.13 H new ATOM 0 HG2 MET A 14 -3.404 11.472 2.204 1.00 40.32 H new ATOM 0 HG3 MET A 14 -3.282 10.813 0.585 1.00 40.32 H new ATOM 0 HE1 MET A 14 -2.521 8.164 4.359 1.00 22.14 H new ATOM 0 HE2 MET A 14 -1.203 9.055 3.562 1.00 22.14 H new ATOM 0 HE3 MET A 14 -2.512 9.943 4.377 1.00 22.14 H new ATOM 181 N LYS A 15 1.065 13.456 1.556 1.00 2.12 N ATOM 182 CA LYS A 15 2.490 13.702 1.480 1.00 52.34 C ATOM 183 C LYS A 15 3.286 12.907 2.489 1.00 71.24 C ATOM 184 O LYS A 15 3.414 13.210 3.684 1.00 2.30 O ATOM 185 CB LYS A 15 2.801 15.188 1.494 1.00 34.12 C ATOM 186 CG LYS A 15 3.596 15.546 0.246 1.00 73.04 C ATOM 187 CD LYS A 15 4.533 16.728 0.485 1.00 74.01 C ATOM 188 CE LYS A 15 5.670 16.271 1.402 1.00 63.05 C ATOM 189 NZ LYS A 15 6.974 16.890 1.106 1.00 55.11 N ATOM 0 H LYS A 15 0.615 13.924 2.342 1.00 2.12 H new ATOM 0 HA LYS A 15 2.825 13.327 0.513 1.00 52.34 H new ATOM 0 HB2 LYS A 15 1.877 15.765 1.528 1.00 34.12 H new ATOM 0 HB3 LYS A 15 3.370 15.444 2.388 1.00 34.12 H new ATOM 0 HG2 LYS A 15 4.177 14.681 -0.074 1.00 73.04 H new ATOM 0 HG3 LYS A 15 2.909 15.786 -0.565 1.00 73.04 H new ATOM 0 HD2 LYS A 15 4.933 17.091 -0.462 1.00 74.01 H new ATOM 0 HD3 LYS A 15 3.989 17.556 0.940 1.00 74.01 H new ATOM 0 HE2 LYS A 15 5.401 16.495 2.434 1.00 63.05 H new ATOM 0 HE3 LYS A 15 5.769 15.188 1.326 1.00 63.05 H new ATOM 0 HZ1 LYS A 15 7.688 16.529 1.770 1.00 55.11 H new ATOM 0 HZ2 LYS A 15 7.256 16.657 0.133 1.00 55.11 H new ATOM 0 HZ3 LYS A 15 6.899 17.922 1.206 1.00 55.11 H new ATOM 203 N TRP A 16 3.886 11.886 1.925 1.00 41.34 N ATOM 204 CA TRP A 16 4.855 11.022 2.550 1.00 1.33 C ATOM 205 C TRP A 16 6.192 11.758 2.626 1.00 4.30 C ATOM 206 O TRP A 16 6.453 12.667 1.838 1.00 43.51 O ATOM 207 CB TRP A 16 4.919 9.729 1.732 1.00 74.01 C ATOM 208 CG TRP A 16 3.574 9.126 1.419 1.00 61.32 C ATOM 209 CD1 TRP A 16 2.831 9.367 0.310 1.00 24.02 C ATOM 210 CD2 TRP A 16 2.757 8.242 2.245 1.00 63.32 C ATOM 211 NE1 TRP A 16 1.632 8.687 0.390 1.00 21.02 N ATOM 212 CE2 TRP A 16 1.519 8.000 1.579 1.00 60.11 C ATOM 213 CE3 TRP A 16 2.946 7.616 3.495 1.00 72.44 C ATOM 214 CZ2 TRP A 16 0.513 7.195 2.135 1.00 74.01 C ATOM 215 CZ3 TRP A 16 1.948 6.792 4.056 1.00 4.42 C ATOM 216 CH2 TRP A 16 0.729 6.592 3.385 1.00 13.23 C ATOM 0 H TRP A 16 3.698 11.621 0.958 1.00 41.34 H new ATOM 0 HA TRP A 16 4.583 10.758 3.572 1.00 1.33 H new ATOM 0 HB2 TRP A 16 5.440 9.930 0.796 1.00 74.01 H new ATOM 0 HB3 TRP A 16 5.514 8.997 2.278 1.00 74.01 H new ATOM 0 HD1 TRP A 16 3.133 9.997 -0.513 1.00 24.02 H new ATOM 0 HE1 TRP A 16 0.919 8.693 -0.340 1.00 21.02 H new ATOM 0 HE3 TRP A 16 3.871 7.770 4.032 1.00 72.44 H new ATOM 0 HZ2 TRP A 16 -0.417 7.041 1.608 1.00 74.01 H new ATOM 0 HZ3 TRP A 16 2.122 6.311 5.008 1.00 4.42 H new ATOM 0 HH2 TRP A 16 -0.039 5.976 3.829 1.00 13.23 H new ATOM 227 N SER A 17 7.066 11.376 3.559 1.00 44.31 N ATOM 228 CA SER A 17 8.436 11.887 3.603 1.00 0.33 C ATOM 229 C SER A 17 9.447 10.799 3.962 1.00 40.25 C ATOM 230 O SER A 17 10.518 11.105 4.480 1.00 61.32 O ATOM 231 CB SER A 17 8.494 13.112 4.521 1.00 72.33 C ATOM 232 OG SER A 17 9.380 14.109 4.062 1.00 21.31 O ATOM 0 H SER A 17 6.846 10.709 4.299 1.00 44.31 H new ATOM 0 HA SER A 17 8.730 12.212 2.605 1.00 0.33 H new ATOM 0 HB2 SER A 17 7.495 13.537 4.612 1.00 72.33 H new ATOM 0 HB3 SER A 17 8.798 12.796 5.519 1.00 72.33 H new ATOM 0 HG SER A 17 9.374 14.865 4.686 1.00 21.31 H new ATOM 238 N LYS A 18 9.120 9.530 3.719 1.00 51.11 N ATOM 239 CA LYS A 18 10.057 8.415 3.755 1.00 11.34 C ATOM 240 C LYS A 18 9.410 7.350 2.880 1.00 22.12 C ATOM 241 O LYS A 18 8.353 6.868 3.281 1.00 15.22 O ATOM 242 CB LYS A 18 10.278 7.961 5.213 1.00 33.20 C ATOM 243 CG LYS A 18 11.731 7.582 5.496 1.00 61.21 C ATOM 244 CD LYS A 18 12.691 8.796 5.559 1.00 0.13 C ATOM 245 CE LYS A 18 13.609 8.985 4.341 1.00 64.42 C ATOM 246 NZ LYS A 18 14.645 7.935 4.210 1.00 23.02 N ATOM 0 H LYS A 18 8.169 9.245 3.486 1.00 51.11 H new ATOM 0 HA LYS A 18 11.052 8.661 3.383 1.00 11.34 H new ATOM 0 HB2 LYS A 18 9.977 8.762 5.889 1.00 33.20 H new ATOM 0 HB3 LYS A 18 9.635 7.106 5.425 1.00 33.20 H new ATOM 0 HG2 LYS A 18 11.779 7.043 6.442 1.00 61.21 H new ATOM 0 HG3 LYS A 18 12.076 6.897 4.721 1.00 61.21 H new ATOM 0 HD2 LYS A 18 12.096 9.700 5.686 1.00 0.13 H new ATOM 0 HD3 LYS A 18 13.314 8.697 6.448 1.00 0.13 H new ATOM 0 HE2 LYS A 18 13.001 8.998 3.437 1.00 64.42 H new ATOM 0 HE3 LYS A 18 14.096 9.957 4.411 1.00 64.42 H new ATOM 0 HZ1 LYS A 18 15.227 8.125 3.369 1.00 23.02 H new ATOM 0 HZ2 LYS A 18 15.249 7.936 5.057 1.00 23.02 H new ATOM 0 HZ3 LYS A 18 14.187 7.006 4.112 1.00 23.02 H new ATOM 260 N VAL A 19 9.936 7.078 1.683 1.00 22.01 N ATOM 261 CA VAL A 19 9.308 6.203 0.683 1.00 2.23 C ATOM 262 C VAL A 19 10.367 5.355 -0.059 1.00 31.52 C ATOM 263 O VAL A 19 11.544 5.731 -0.046 1.00 23.42 O ATOM 264 CB VAL A 19 8.440 7.048 -0.281 1.00 14.24 C ATOM 265 CG1 VAL A 19 7.223 7.647 0.433 1.00 73.03 C ATOM 266 CG2 VAL A 19 9.188 8.200 -0.971 1.00 34.51 C ATOM 0 H VAL A 19 10.827 7.466 1.373 1.00 22.01 H new ATOM 0 HA VAL A 19 8.650 5.495 1.187 1.00 2.23 H new ATOM 0 HB VAL A 19 8.136 6.335 -1.048 1.00 14.24 H new ATOM 0 HG11 VAL A 19 6.638 8.233 -0.275 1.00 73.03 H new ATOM 0 HG12 VAL A 19 6.606 6.844 0.836 1.00 73.03 H new ATOM 0 HG13 VAL A 19 7.559 8.290 1.246 1.00 73.03 H new ATOM 0 HG21 VAL A 19 8.503 8.737 -1.627 1.00 34.51 H new ATOM 0 HG22 VAL A 19 9.579 8.883 -0.217 1.00 34.51 H new ATOM 0 HG23 VAL A 19 10.013 7.798 -1.559 1.00 34.51 H new ATOM 276 N PRO A 20 9.989 4.210 -0.659 1.00 31.33 N ATOM 277 CA PRO A 20 10.857 3.340 -1.455 1.00 71.41 C ATOM 278 C PRO A 20 11.207 3.934 -2.832 1.00 2.04 C ATOM 279 O PRO A 20 10.853 5.070 -3.165 1.00 11.03 O ATOM 280 CB PRO A 20 10.096 2.003 -1.575 1.00 44.31 C ATOM 281 CG PRO A 20 8.639 2.350 -1.333 1.00 31.33 C ATOM 282 CD PRO A 20 8.690 3.592 -0.464 1.00 60.52 C ATOM 0 HA PRO A 20 11.826 3.212 -0.972 1.00 71.41 H new ATOM 0 HB2 PRO A 20 10.236 1.557 -2.560 1.00 44.31 H new ATOM 0 HB3 PRO A 20 10.455 1.279 -0.844 1.00 44.31 H new ATOM 0 HG2 PRO A 20 8.115 2.541 -2.269 1.00 31.33 H new ATOM 0 HG3 PRO A 20 8.114 1.536 -0.833 1.00 31.33 H new ATOM 0 HD2 PRO A 20 7.892 4.283 -0.736 1.00 60.52 H new ATOM 0 HD3 PRO A 20 8.543 3.332 0.584 1.00 60.52 H new ATOM 290 N SER A 21 11.896 3.141 -3.655 1.00 75.22 N ATOM 291 CA SER A 21 12.383 3.503 -4.983 1.00 42.45 C ATOM 292 C SER A 21 11.957 2.513 -6.080 1.00 23.54 C ATOM 293 O SER A 21 12.048 2.852 -7.260 1.00 34.44 O ATOM 294 CB SER A 21 13.906 3.611 -4.936 1.00 15.02 C ATOM 295 OG SER A 21 14.337 4.512 -3.928 1.00 53.25 O ATOM 0 H SER A 21 12.140 2.184 -3.399 1.00 75.22 H new ATOM 0 HA SER A 21 11.933 4.460 -5.248 1.00 42.45 H new ATOM 0 HB2 SER A 21 14.335 2.626 -4.752 1.00 15.02 H new ATOM 0 HB3 SER A 21 14.277 3.944 -5.905 1.00 15.02 H new ATOM 0 HG SER A 21 15.316 4.555 -3.925 1.00 53.25 H new ATOM 301 N GLY A 22 11.448 1.325 -5.728 1.00 2.13 N ATOM 302 CA GLY A 22 10.901 0.374 -6.700 1.00 12.04 C ATOM 303 C GLY A 22 9.548 0.842 -7.246 1.00 54.15 C ATOM 304 O GLY A 22 9.089 0.372 -8.288 1.00 13.31 O ATOM 0 H GLY A 22 11.405 0.998 -4.763 1.00 2.13 H new ATOM 0 HA2 GLY A 22 11.604 0.250 -7.524 1.00 12.04 H new ATOM 0 HA3 GLY A 22 10.786 -0.603 -6.230 1.00 12.04 H new ATOM 308 N LEU A 23 8.904 1.777 -6.540 1.00 62.13 N ATOM 309 CA LEU A 23 7.735 2.519 -6.982 1.00 3.01 C ATOM 310 C LEU A 23 7.978 3.146 -8.353 1.00 12.30 C ATOM 311 O LEU A 23 8.936 3.903 -8.535 1.00 32.41 O ATOM 312 CB LEU A 23 7.399 3.586 -5.926 1.00 1.20 C ATOM 313 CG LEU A 23 6.165 4.438 -6.300 1.00 62.55 C ATOM 314 CD1 LEU A 23 5.258 4.675 -5.093 1.00 11.34 C ATOM 315 CD2 LEU A 23 6.561 5.799 -6.880 1.00 31.22 C ATOM 0 H LEU A 23 9.203 2.044 -5.602 1.00 62.13 H new ATOM 0 HA LEU A 23 6.887 1.843 -7.088 1.00 3.01 H new ATOM 0 HB2 LEU A 23 7.220 3.098 -4.968 1.00 1.20 H new ATOM 0 HB3 LEU A 23 8.260 4.242 -5.793 1.00 1.20 H new ATOM 0 HG LEU A 23 5.628 3.867 -7.057 1.00 62.55 H new ATOM 0 HD11 LEU A 23 4.401 5.278 -5.394 1.00 11.34 H new ATOM 0 HD12 LEU A 23 4.910 3.717 -4.706 1.00 11.34 H new ATOM 0 HD13 LEU A 23 5.815 5.199 -4.317 1.00 11.34 H new ATOM 0 HD21 LEU A 23 5.663 6.364 -7.129 1.00 31.22 H new ATOM 0 HD22 LEU A 23 7.145 6.352 -6.144 1.00 31.22 H new ATOM 0 HD23 LEU A 23 7.157 5.651 -7.780 1.00 31.22 H new ATOM 327 N LYS A 24 7.051 2.908 -9.279 1.00 34.23 N ATOM 328 CA LYS A 24 6.773 3.793 -10.400 1.00 23.41 C ATOM 329 C LYS A 24 5.315 4.200 -10.289 1.00 35.32 C ATOM 330 O LYS A 24 4.431 3.368 -10.502 1.00 4.41 O ATOM 331 CB LYS A 24 7.054 3.127 -11.752 1.00 22.30 C ATOM 332 CG LYS A 24 8.551 3.085 -12.097 1.00 41.11 C ATOM 333 CD LYS A 24 8.740 2.760 -13.586 1.00 62.32 C ATOM 334 CE LYS A 24 10.202 2.935 -13.996 1.00 1.32 C ATOM 335 NZ LYS A 24 10.455 2.483 -15.379 1.00 14.44 N ATOM 0 H LYS A 24 6.462 2.076 -9.267 1.00 34.23 H new ATOM 0 HA LYS A 24 7.430 4.661 -10.357 1.00 23.41 H new ATOM 0 HB2 LYS A 24 6.660 2.111 -11.740 1.00 22.30 H new ATOM 0 HB3 LYS A 24 6.521 3.666 -12.535 1.00 22.30 H new ATOM 0 HG2 LYS A 24 9.013 4.045 -11.865 1.00 41.11 H new ATOM 0 HG3 LYS A 24 9.052 2.334 -11.486 1.00 41.11 H new ATOM 0 HD2 LYS A 24 8.422 1.736 -13.783 1.00 62.32 H new ATOM 0 HD3 LYS A 24 8.108 3.412 -14.189 1.00 62.32 H new ATOM 0 HE2 LYS A 24 10.480 3.985 -13.903 1.00 1.32 H new ATOM 0 HE3 LYS A 24 10.839 2.375 -13.311 1.00 1.32 H new ATOM 0 HZ1 LYS A 24 11.459 2.621 -15.611 1.00 14.44 H new ATOM 0 HZ2 LYS A 24 10.216 1.474 -15.464 1.00 14.44 H new ATOM 0 HZ3 LYS A 24 9.868 3.034 -16.037 1.00 14.44 H new ATOM 349 N ASN A 25 5.072 5.462 -9.930 1.00 23.52 N ATOM 350 CA ASN A 25 3.759 6.112 -9.839 1.00 1.20 C ATOM 351 C ASN A 25 2.689 5.339 -9.045 1.00 40.05 C ATOM 352 O ASN A 25 1.489 5.543 -9.243 1.00 73.31 O ATOM 353 CB ASN A 25 3.277 6.518 -11.242 1.00 31.50 C ATOM 354 CG ASN A 25 2.186 7.586 -11.166 1.00 51.12 C ATOM 355 OD1 ASN A 25 2.363 8.621 -10.525 1.00 0.20 O ATOM 356 ND2 ASN A 25 1.044 7.375 -11.797 1.00 3.12 N ATOM 0 H ASN A 25 5.830 6.097 -9.680 1.00 23.52 H new ATOM 0 HA ASN A 25 3.908 7.007 -9.236 1.00 1.20 H new ATOM 0 HB2 ASN A 25 4.119 6.895 -11.823 1.00 31.50 H new ATOM 0 HB3 ASN A 25 2.895 5.642 -11.766 1.00 31.50 H new ATOM 0 HD21 ASN A 25 0.301 8.073 -11.755 1.00 3.12 H new ATOM 0 HD22 ASN A 25 0.905 6.514 -12.326 1.00 3.12 H new ATOM 363 N GLY A 26 3.109 4.470 -8.123 1.00 55.33 N ATOM 364 CA GLY A 26 2.244 3.740 -7.206 1.00 2.13 C ATOM 365 C GLY A 26 2.326 2.227 -7.384 1.00 12.13 C ATOM 366 O GLY A 26 2.051 1.497 -6.429 1.00 4.45 O ATOM 0 H GLY A 26 4.097 4.251 -7.993 1.00 55.33 H new ATOM 0 HA2 GLY A 26 2.514 3.995 -6.181 1.00 2.13 H new ATOM 0 HA3 GLY A 26 1.213 4.062 -7.354 1.00 2.13 H new ATOM 370 N GLU A 27 2.730 1.735 -8.559 1.00 24.41 N ATOM 371 CA GLU A 27 2.950 0.301 -8.733 1.00 14.32 C ATOM 372 C GLU A 27 4.383 -0.011 -8.301 1.00 4.21 C ATOM 373 O GLU A 27 5.327 0.692 -8.677 1.00 41.11 O ATOM 374 CB GLU A 27 2.705 -0.131 -10.185 1.00 40.30 C ATOM 375 CG GLU A 27 2.683 -1.662 -10.332 1.00 54.32 C ATOM 376 CD GLU A 27 2.548 -2.124 -11.784 1.00 24.44 C ATOM 377 OE1 GLU A 27 3.432 -1.804 -12.624 1.00 24.25 O ATOM 378 OE2 GLU A 27 1.625 -2.905 -12.095 1.00 23.42 O ATOM 0 H GLU A 27 2.908 2.300 -9.390 1.00 24.41 H new ATOM 0 HA GLU A 27 2.243 -0.258 -8.119 1.00 14.32 H new ATOM 0 HB2 GLU A 27 1.757 0.281 -10.531 1.00 40.30 H new ATOM 0 HB3 GLU A 27 3.485 0.284 -10.824 1.00 40.30 H new ATOM 0 HG2 GLU A 27 3.599 -2.075 -9.909 1.00 54.32 H new ATOM 0 HG3 GLU A 27 1.854 -2.065 -9.750 1.00 54.32 H new ATOM 385 N LEU A 28 4.540 -1.071 -7.515 1.00 34.25 N ATOM 386 CA LEU A 28 5.797 -1.658 -7.092 1.00 52.42 C ATOM 387 C LEU A 28 5.825 -3.102 -7.563 1.00 54.33 C ATOM 388 O LEU A 28 4.796 -3.748 -7.776 1.00 73.14 O ATOM 389 CB LEU A 28 5.965 -1.616 -5.559 1.00 61.12 C ATOM 390 CG LEU A 28 6.360 -0.222 -5.060 1.00 4.02 C ATOM 391 CD1 LEU A 28 5.162 0.716 -4.891 1.00 35.15 C ATOM 392 CD2 LEU A 28 7.159 -0.253 -3.754 1.00 14.33 C ATOM 0 H LEU A 28 3.737 -1.572 -7.134 1.00 34.25 H new ATOM 0 HA LEU A 28 6.616 -1.084 -7.526 1.00 52.42 H new ATOM 0 HB2 LEU A 28 5.032 -1.920 -5.084 1.00 61.12 H new ATOM 0 HB3 LEU A 28 6.725 -2.337 -5.258 1.00 61.12 H new ATOM 0 HG LEU A 28 7.002 0.170 -5.849 1.00 4.02 H new ATOM 0 HD11 LEU A 28 5.507 1.687 -4.535 1.00 35.15 H new ATOM 0 HD12 LEU A 28 4.658 0.839 -5.850 1.00 35.15 H new ATOM 0 HD13 LEU A 28 4.466 0.291 -4.167 1.00 35.15 H new ATOM 0 HD21 LEU A 28 7.407 0.765 -3.455 1.00 14.33 H new ATOM 0 HD22 LEU A 28 6.562 -0.725 -2.973 1.00 14.33 H new ATOM 0 HD23 LEU A 28 8.077 -0.822 -3.903 1.00 14.33 H new ATOM 404 N LYS A 29 7.035 -3.617 -7.706 1.00 63.22 N ATOM 405 CA LYS A 29 7.288 -4.976 -8.134 1.00 61.23 C ATOM 406 C LYS A 29 8.492 -5.492 -7.466 1.00 73.30 C ATOM 407 O LYS A 29 9.406 -4.771 -7.064 1.00 75.41 O ATOM 408 CB LYS A 29 7.445 -4.949 -9.669 1.00 53.22 C ATOM 409 CG LYS A 29 7.956 -6.247 -10.352 1.00 32.42 C ATOM 410 CD LYS A 29 9.501 -6.312 -10.440 1.00 43.40 C ATOM 411 CE LYS A 29 9.978 -7.634 -11.042 1.00 55.34 C ATOM 412 NZ LYS A 29 11.444 -7.675 -11.204 1.00 75.31 N ATOM 0 H LYS A 29 7.886 -3.086 -7.522 1.00 63.22 H new ATOM 0 HA LYS A 29 6.468 -5.642 -7.865 1.00 61.23 H new ATOM 0 HB2 LYS A 29 6.478 -4.697 -10.103 1.00 53.22 H new ATOM 0 HB3 LYS A 29 8.130 -4.140 -9.925 1.00 53.22 H new ATOM 0 HG2 LYS A 29 7.592 -7.112 -9.797 1.00 32.42 H new ATOM 0 HG3 LYS A 29 7.537 -6.313 -11.356 1.00 32.42 H new ATOM 0 HD2 LYS A 29 9.866 -5.483 -11.047 1.00 43.40 H new ATOM 0 HD3 LYS A 29 9.928 -6.191 -9.444 1.00 43.40 H new ATOM 0 HE2 LYS A 29 9.662 -8.458 -10.402 1.00 55.34 H new ATOM 0 HE3 LYS A 29 9.503 -7.782 -12.012 1.00 55.34 H new ATOM 0 HZ1 LYS A 29 11.722 -8.589 -11.615 1.00 75.31 H new ATOM 0 HZ2 LYS A 29 11.745 -6.905 -11.835 1.00 75.31 H new ATOM 0 HZ3 LYS A 29 11.899 -7.560 -10.276 1.00 75.31 H new ATOM 426 N VAL A 30 8.371 -6.788 -7.344 1.00 4.45 N ATOM 427 CA VAL A 30 9.207 -7.630 -6.641 1.00 61.13 C ATOM 428 C VAL A 30 9.398 -8.880 -7.453 1.00 42.13 C ATOM 429 O VAL A 30 8.636 -9.219 -8.357 1.00 23.33 O ATOM 430 CB VAL A 30 8.598 -7.913 -5.302 1.00 63.54 C ATOM 431 CG1 VAL A 30 8.793 -6.734 -4.336 1.00 43.01 C ATOM 432 CG2 VAL A 30 7.262 -8.533 -5.086 1.00 0.41 C ATOM 0 H VAL A 30 7.604 -7.293 -7.787 1.00 4.45 H new ATOM 0 HA VAL A 30 10.184 -7.178 -6.469 1.00 61.13 H new ATOM 0 HB VAL A 30 9.197 -8.802 -5.104 1.00 63.54 H new ATOM 0 HG11 VAL A 30 8.339 -6.973 -3.374 1.00 43.01 H new ATOM 0 HG12 VAL A 30 9.858 -6.549 -4.199 1.00 43.01 H new ATOM 0 HG13 VAL A 30 8.320 -5.843 -4.749 1.00 43.01 H new ATOM 0 HG21 VAL A 30 7.071 -8.622 -4.017 1.00 0.41 H new ATOM 0 HG22 VAL A 30 6.493 -7.909 -5.541 1.00 0.41 H new ATOM 0 HG23 VAL A 30 7.242 -9.523 -5.542 1.00 0.41 H new ATOM 442 N GLU A 31 10.448 -9.569 -7.082 1.00 72.12 N ATOM 443 CA GLU A 31 10.740 -10.861 -7.611 1.00 20.35 C ATOM 444 C GLU A 31 10.086 -11.913 -6.716 1.00 32.53 C ATOM 445 O GLU A 31 9.377 -11.568 -5.763 1.00 3.11 O ATOM 446 CB GLU A 31 12.239 -10.953 -7.732 1.00 52.24 C ATOM 447 CG GLU A 31 12.967 -11.013 -6.397 1.00 63.31 C ATOM 448 CD GLU A 31 14.449 -11.108 -6.707 1.00 24.33 C ATOM 449 OE1 GLU A 31 15.020 -10.046 -7.049 1.00 74.41 O ATOM 450 OE2 GLU A 31 14.970 -12.242 -6.782 1.00 33.55 O ATOM 0 H GLU A 31 11.126 -9.238 -6.396 1.00 72.12 H new ATOM 0 HA GLU A 31 10.329 -11.038 -8.605 1.00 20.35 H new ATOM 0 HB2 GLU A 31 12.492 -11.840 -8.312 1.00 52.24 H new ATOM 0 HB3 GLU A 31 12.601 -10.091 -8.293 1.00 52.24 H new ATOM 0 HG2 GLU A 31 12.753 -10.126 -5.800 1.00 63.31 H new ATOM 0 HG3 GLU A 31 12.638 -11.875 -5.816 1.00 63.31 H new ATOM 457 N ALA A 32 10.346 -13.190 -6.981 1.00 2.24 N ATOM 458 CA ALA A 32 9.798 -14.314 -6.241 1.00 54.03 C ATOM 459 C ALA A 32 10.323 -14.408 -4.804 1.00 23.32 C ATOM 460 O ALA A 32 9.956 -15.343 -4.111 1.00 34.54 O ATOM 461 CB ALA A 32 10.136 -15.589 -7.010 1.00 40.23 C ATOM 0 H ALA A 32 10.963 -13.476 -7.741 1.00 2.24 H new ATOM 0 HA ALA A 32 8.721 -14.173 -6.155 1.00 54.03 H new ATOM 0 HB1 ALA A 32 9.736 -16.452 -6.477 1.00 40.23 H new ATOM 0 HB2 ALA A 32 9.695 -15.541 -8.006 1.00 40.23 H new ATOM 0 HB3 ALA A 32 11.218 -15.685 -7.097 1.00 40.23 H new ATOM 467 N GLU A 33 11.173 -13.492 -4.347 1.00 33.52 N ATOM 468 CA GLU A 33 11.612 -13.329 -2.960 1.00 11.33 C ATOM 469 C GLU A 33 10.623 -12.454 -2.203 1.00 20.51 C ATOM 470 O GLU A 33 10.380 -12.637 -1.013 1.00 53.23 O ATOM 471 CB GLU A 33 12.928 -12.555 -2.965 1.00 64.33 C ATOM 472 CG GLU A 33 14.090 -13.296 -3.614 1.00 15.11 C ATOM 473 CD GLU A 33 14.430 -14.566 -2.842 1.00 74.22 C ATOM 474 OE1 GLU A 33 14.733 -14.452 -1.632 1.00 1.11 O ATOM 475 OE2 GLU A 33 14.306 -15.663 -3.437 1.00 44.00 O ATOM 0 H GLU A 33 11.599 -12.804 -4.968 1.00 33.52 H new ATOM 0 HA GLU A 33 11.701 -14.313 -2.500 1.00 11.33 H new ATOM 0 HB2 GLU A 33 12.778 -11.610 -3.487 1.00 64.33 H new ATOM 0 HB3 GLU A 33 13.197 -12.312 -1.937 1.00 64.33 H new ATOM 0 HG2 GLU A 33 13.835 -13.549 -4.643 1.00 15.11 H new ATOM 0 HG3 GLU A 33 14.964 -12.646 -3.653 1.00 15.11 H new ATOM 482 N GLY A 34 10.090 -11.466 -2.911 1.00 12.22 N ATOM 483 CA GLY A 34 9.319 -10.396 -2.338 1.00 52.33 C ATOM 484 C GLY A 34 10.252 -9.290 -1.870 1.00 3.14 C ATOM 485 O GLY A 34 11.476 -9.378 -2.020 1.00 53.34 O ATOM 0 H GLY A 34 10.191 -11.395 -3.924 1.00 12.22 H new ATOM 0 HA2 GLY A 34 8.616 -10.006 -3.074 1.00 52.33 H new ATOM 0 HA3 GLY A 34 8.729 -10.767 -1.500 1.00 52.33 H new ATOM 489 N GLY A 35 9.663 -8.229 -1.338 1.00 54.01 N ATOM 490 CA GLY A 35 10.363 -7.044 -0.878 1.00 71.42 C ATOM 491 C GLY A 35 9.676 -6.383 0.313 1.00 34.44 C ATOM 492 O GLY A 35 8.500 -6.650 0.579 1.00 63.42 O ATOM 0 H GLY A 35 8.653 -8.170 -1.212 1.00 54.01 H new ATOM 0 HA2 GLY A 35 11.382 -7.313 -0.602 1.00 71.42 H new ATOM 0 HA3 GLY A 35 10.433 -6.327 -1.696 1.00 71.42 H new ATOM 496 N SER A 36 10.372 -5.456 0.966 1.00 61.30 N ATOM 497 CA SER A 36 9.893 -4.633 2.067 1.00 11.11 C ATOM 498 C SER A 36 9.692 -3.186 1.596 1.00 20.15 C ATOM 499 O SER A 36 10.337 -2.740 0.640 1.00 23.44 O ATOM 500 CB SER A 36 10.908 -4.727 3.222 1.00 24.02 C ATOM 501 OG SER A 36 12.227 -4.419 2.797 1.00 74.00 O ATOM 0 H SER A 36 11.341 -5.249 0.725 1.00 61.30 H new ATOM 0 HA SER A 36 8.926 -4.990 2.421 1.00 11.11 H new ATOM 0 HB2 SER A 36 10.615 -4.043 4.019 1.00 24.02 H new ATOM 0 HB3 SER A 36 10.888 -5.733 3.641 1.00 24.02 H new ATOM 0 HG SER A 36 12.840 -4.488 3.558 1.00 74.00 H new ATOM 507 N SER A 37 8.833 -2.416 2.268 1.00 1.55 N ATOM 508 CA SER A 37 8.692 -0.981 2.062 1.00 73.42 C ATOM 509 C SER A 37 8.202 -0.299 3.346 1.00 2.53 C ATOM 510 O SER A 37 7.748 -0.972 4.281 1.00 55.44 O ATOM 511 CB SER A 37 7.763 -0.746 0.865 1.00 23.41 C ATOM 512 OG SER A 37 6.556 -1.453 1.000 1.00 60.33 O ATOM 0 H SER A 37 8.206 -2.784 2.983 1.00 1.55 H new ATOM 0 HA SER A 37 9.657 -0.530 1.832 1.00 73.42 H new ATOM 0 HB2 SER A 37 7.553 0.319 0.771 1.00 23.41 H new ATOM 0 HB3 SER A 37 8.265 -1.054 -0.052 1.00 23.41 H new ATOM 0 HG SER A 37 6.255 -1.757 0.118 1.00 60.33 H new ATOM 518 N LEU A 38 8.332 1.027 3.398 1.00 60.25 N ATOM 519 CA LEU A 38 7.923 1.947 4.454 1.00 13.14 C ATOM 520 C LEU A 38 7.450 3.221 3.769 1.00 54.34 C ATOM 521 O LEU A 38 8.161 3.756 2.916 1.00 14.21 O ATOM 522 CB LEU A 38 9.124 2.281 5.361 1.00 74.31 C ATOM 523 CG LEU A 38 8.965 3.572 6.204 1.00 60.23 C ATOM 524 CD1 LEU A 38 7.859 3.476 7.254 1.00 33.44 C ATOM 525 CD2 LEU A 38 10.269 3.939 6.907 1.00 43.42 C ATOM 0 H LEU A 38 8.769 1.530 2.626 1.00 60.25 H new ATOM 0 HA LEU A 38 7.139 1.504 5.067 1.00 13.14 H new ATOM 0 HB2 LEU A 38 9.295 1.442 6.036 1.00 74.31 H new ATOM 0 HB3 LEU A 38 10.014 2.377 4.740 1.00 74.31 H new ATOM 0 HG LEU A 38 8.689 4.347 5.489 1.00 60.23 H new ATOM 0 HD11 LEU A 38 7.801 4.413 7.808 1.00 33.44 H new ATOM 0 HD12 LEU A 38 6.905 3.286 6.762 1.00 33.44 H new ATOM 0 HD13 LEU A 38 8.080 2.660 7.942 1.00 33.44 H new ATOM 0 HD21 LEU A 38 10.125 4.849 7.490 1.00 43.42 H new ATOM 0 HD22 LEU A 38 10.566 3.126 7.570 1.00 43.42 H new ATOM 0 HD23 LEU A 38 11.049 4.104 6.164 1.00 43.42 H new ATOM 537 N PHE A 39 6.324 3.748 4.226 1.00 42.33 N ATOM 538 CA PHE A 39 5.712 4.990 3.804 1.00 75.05 C ATOM 539 C PHE A 39 5.408 5.766 5.085 1.00 64.24 C ATOM 540 O PHE A 39 4.434 5.479 5.781 1.00 33.32 O ATOM 541 CB PHE A 39 4.473 4.705 2.939 1.00 21.03 C ATOM 542 CG PHE A 39 4.719 3.682 1.858 1.00 63.15 C ATOM 543 CD1 PHE A 39 4.515 2.314 2.121 1.00 22.12 C ATOM 544 CD2 PHE A 39 5.207 4.096 0.606 1.00 35.23 C ATOM 545 CE1 PHE A 39 4.829 1.357 1.144 1.00 4.15 C ATOM 546 CE2 PHE A 39 5.520 3.138 -0.367 1.00 40.12 C ATOM 547 CZ PHE A 39 5.350 1.771 -0.092 1.00 14.40 C ATOM 0 H PHE A 39 5.779 3.283 4.952 1.00 42.33 H new ATOM 0 HA PHE A 39 6.364 5.590 3.169 1.00 75.05 H new ATOM 0 HB2 PHE A 39 3.663 4.357 3.581 1.00 21.03 H new ATOM 0 HB3 PHE A 39 4.138 5.635 2.479 1.00 21.03 H new ATOM 0 HD1 PHE A 39 4.117 2.001 3.075 1.00 22.12 H new ATOM 0 HD2 PHE A 39 5.340 5.147 0.396 1.00 35.23 H new ATOM 0 HE1 PHE A 39 4.671 0.307 1.342 1.00 4.15 H new ATOM 0 HE2 PHE A 39 5.893 3.451 -1.331 1.00 40.12 H new ATOM 0 HZ PHE A 39 5.621 1.035 -0.835 1.00 14.40 H new ATOM 557 N ALA A 40 6.285 6.701 5.460 1.00 42.45 N ATOM 558 CA ALA A 40 6.059 7.569 6.614 1.00 11.23 C ATOM 559 C ALA A 40 5.261 8.779 6.139 1.00 13.43 C ATOM 560 O ALA A 40 5.804 9.628 5.420 1.00 4.24 O ATOM 561 CB ALA A 40 7.383 7.999 7.254 1.00 50.41 C ATOM 0 H ALA A 40 7.165 6.875 4.975 1.00 42.45 H new ATOM 0 HA ALA A 40 5.503 7.030 7.381 1.00 11.23 H new ATOM 0 HB1 ALA A 40 7.181 8.644 8.109 1.00 50.41 H new ATOM 0 HB2 ALA A 40 7.930 7.117 7.586 1.00 50.41 H new ATOM 0 HB3 ALA A 40 7.981 8.543 6.523 1.00 50.41 H new ATOM 567 N CYS A 41 3.970 8.854 6.469 1.00 42.12 N ATOM 568 CA CYS A 41 3.139 9.975 6.067 1.00 75.31 C ATOM 569 C CYS A 41 3.481 11.154 6.968 1.00 44.24 C ATOM 570 O CYS A 41 3.052 11.215 8.117 1.00 21.32 O ATOM 571 CB CYS A 41 1.652 9.625 6.086 1.00 12.51 C ATOM 572 SG CYS A 41 0.883 10.698 4.849 1.00 42.55 S ATOM 0 H CYS A 41 3.482 8.145 7.016 1.00 42.12 H new ATOM 0 HA CYS A 41 3.347 10.242 5.031 1.00 75.31 H new ATOM 0 HB2 CYS A 41 1.494 8.574 5.846 1.00 12.51 H new ATOM 0 HB3 CYS A 41 1.222 9.794 7.073 1.00 12.51 H new ATOM 0 HG CYS A 41 0.890 10.103 3.693 1.00 42.55 H new ATOM 578 N LYS A 42 4.339 12.074 6.524 1.00 45.13 N ATOM 579 CA LYS A 42 4.805 13.111 7.445 1.00 50.43 C ATOM 580 C LYS A 42 3.691 14.136 7.713 1.00 43.12 C ATOM 581 O LYS A 42 3.817 14.926 8.648 1.00 23.01 O ATOM 582 CB LYS A 42 6.066 13.789 6.920 1.00 23.02 C ATOM 583 CG LYS A 42 7.029 14.339 7.979 1.00 70.01 C ATOM 584 CD LYS A 42 7.949 13.244 8.529 1.00 70.23 C ATOM 585 CE LYS A 42 9.109 13.857 9.316 1.00 2.53 C ATOM 586 NZ LYS A 42 10.154 12.853 9.586 1.00 32.13 N ATOM 0 H LYS A 42 4.712 12.124 5.576 1.00 45.13 H new ATOM 0 HA LYS A 42 5.061 12.634 8.391 1.00 50.43 H new ATOM 0 HB2 LYS A 42 6.608 13.073 6.302 1.00 23.02 H new ATOM 0 HB3 LYS A 42 5.768 14.610 6.268 1.00 23.02 H new ATOM 0 HG2 LYS A 42 7.631 15.137 7.544 1.00 70.01 H new ATOM 0 HG3 LYS A 42 6.458 14.780 8.796 1.00 70.01 H new ATOM 0 HD2 LYS A 42 7.380 12.574 9.173 1.00 70.23 H new ATOM 0 HD3 LYS A 42 8.338 12.642 7.707 1.00 70.23 H new ATOM 0 HE2 LYS A 42 9.535 14.688 8.754 1.00 2.53 H new ATOM 0 HE3 LYS A 42 8.739 14.264 10.257 1.00 2.53 H new ATOM 0 HZ1 LYS A 42 10.929 13.294 10.121 1.00 32.13 H new ATOM 0 HZ2 LYS A 42 9.750 12.072 10.142 1.00 32.13 H new ATOM 0 HZ3 LYS A 42 10.521 12.483 8.686 1.00 32.13 H new ATOM 600 N ASN A 43 2.636 14.161 6.885 1.00 52.24 N ATOM 601 CA ASN A 43 1.681 15.262 6.787 1.00 10.23 C ATOM 602 C ASN A 43 0.238 14.836 7.115 1.00 41.45 C ATOM 603 O ASN A 43 -0.632 15.706 7.184 1.00 44.45 O ATOM 604 CB ASN A 43 1.807 15.943 5.403 1.00 21.02 C ATOM 605 CG ASN A 43 0.806 15.419 4.379 1.00 71.05 C ATOM 606 OD1 ASN A 43 0.569 14.223 4.286 1.00 74.31 O ATOM 607 ND2 ASN A 43 0.248 16.290 3.563 1.00 12.42 N ATOM 0 H ASN A 43 2.422 13.392 6.250 1.00 52.24 H new ATOM 0 HA ASN A 43 1.932 15.997 7.552 1.00 10.23 H new ATOM 0 HB2 ASN A 43 1.667 17.018 5.521 1.00 21.02 H new ATOM 0 HB3 ASN A 43 2.817 15.793 5.023 1.00 21.02 H new ATOM 0 HD21 ASN A 43 -0.394 15.971 2.838 1.00 12.42 H new ATOM 0 HD22 ASN A 43 0.458 17.284 3.656 1.00 12.42 H new ATOM 614 N TYR A 44 0.004 13.541 7.362 1.00 53.21 N ATOM 615 CA TYR A 44 -1.232 12.929 7.846 1.00 4.34 C ATOM 616 C TYR A 44 -0.822 11.862 8.878 1.00 44.43 C ATOM 617 O TYR A 44 0.228 11.245 8.715 1.00 24.24 O ATOM 618 CB TYR A 44 -1.987 12.266 6.679 1.00 50.11 C ATOM 619 CG TYR A 44 -2.903 13.156 5.858 1.00 52.22 C ATOM 620 CD1 TYR A 44 -4.131 13.579 6.400 1.00 62.22 C ATOM 621 CD2 TYR A 44 -2.593 13.469 4.518 1.00 11.10 C ATOM 622 CE1 TYR A 44 -5.052 14.285 5.609 1.00 31.24 C ATOM 623 CE2 TYR A 44 -3.507 14.187 3.721 1.00 20.02 C ATOM 624 CZ TYR A 44 -4.749 14.583 4.262 1.00 71.32 C ATOM 625 OH TYR A 44 -5.644 15.246 3.479 1.00 4.12 O ATOM 0 H TYR A 44 0.733 12.843 7.216 1.00 53.21 H new ATOM 0 HA TYR A 44 -1.891 13.676 8.290 1.00 4.34 H new ATOM 0 HB2 TYR A 44 -1.251 11.825 6.007 1.00 50.11 H new ATOM 0 HB3 TYR A 44 -2.582 11.447 7.082 1.00 50.11 H new ATOM 0 HD1 TYR A 44 -4.367 13.359 7.431 1.00 62.22 H new ATOM 0 HD2 TYR A 44 -1.648 13.156 4.100 1.00 11.10 H new ATOM 0 HE1 TYR A 44 -5.994 14.601 6.032 1.00 31.24 H new ATOM 0 HE2 TYR A 44 -3.258 14.433 2.699 1.00 20.02 H new ATOM 0 HH TYR A 44 -5.268 15.366 2.582 1.00 4.12 H new ATOM 635 N LYS A 45 -1.615 11.617 9.927 1.00 31.11 N ATOM 636 CA LYS A 45 -1.306 10.689 11.040 1.00 30.01 C ATOM 637 C LYS A 45 -2.501 9.819 11.423 1.00 12.53 C ATOM 638 O LYS A 45 -2.588 9.322 12.544 1.00 44.55 O ATOM 639 CB LYS A 45 -0.842 11.508 12.256 1.00 33.03 C ATOM 640 CG LYS A 45 0.616 11.933 12.121 1.00 44.12 C ATOM 641 CD LYS A 45 0.761 13.412 12.502 1.00 45.34 C ATOM 642 CE LYS A 45 2.207 13.897 12.606 1.00 62.32 C ATOM 643 NZ LYS A 45 2.904 13.844 11.309 1.00 70.31 N ATOM 0 H LYS A 45 -2.522 12.071 10.036 1.00 31.11 H new ATOM 0 HA LYS A 45 -0.517 10.015 10.708 1.00 30.01 H new ATOM 0 HB2 LYS A 45 -1.471 12.392 12.362 1.00 33.03 H new ATOM 0 HB3 LYS A 45 -0.967 10.917 13.163 1.00 33.03 H new ATOM 0 HG2 LYS A 45 1.245 11.318 12.765 1.00 44.12 H new ATOM 0 HG3 LYS A 45 0.957 11.776 11.098 1.00 44.12 H new ATOM 0 HD2 LYS A 45 0.239 14.018 11.762 1.00 45.34 H new ATOM 0 HD3 LYS A 45 0.265 13.579 13.458 1.00 45.34 H new ATOM 0 HE2 LYS A 45 2.220 14.920 12.982 1.00 62.32 H new ATOM 0 HE3 LYS A 45 2.743 13.284 13.331 1.00 62.32 H new ATOM 0 HZ1 LYS A 45 3.881 14.182 11.426 1.00 70.31 H new ATOM 0 HZ2 LYS A 45 2.916 12.864 10.961 1.00 70.31 H new ATOM 0 HZ3 LYS A 45 2.408 14.449 10.624 1.00 70.31 H new ATOM 657 N SER A 46 -3.466 9.735 10.523 1.00 52.21 N ATOM 658 CA SER A 46 -4.831 9.381 10.862 1.00 44.44 C ATOM 659 C SER A 46 -5.474 8.696 9.661 1.00 53.54 C ATOM 660 O SER A 46 -6.341 9.271 8.993 1.00 52.42 O ATOM 661 CB SER A 46 -5.542 10.663 11.333 1.00 30.21 C ATOM 662 OG SER A 46 -5.022 11.852 10.740 1.00 43.12 O ATOM 0 H SER A 46 -3.321 9.912 9.529 1.00 52.21 H new ATOM 0 HA SER A 46 -4.897 8.664 11.680 1.00 44.44 H new ATOM 0 HB2 SER A 46 -6.604 10.586 11.102 1.00 30.21 H new ATOM 0 HB3 SER A 46 -5.456 10.739 12.417 1.00 30.21 H new ATOM 0 HG SER A 46 -5.515 12.629 11.078 1.00 43.12 H new ATOM 668 N PHE A 47 -4.996 7.499 9.329 1.00 10.32 N ATOM 669 CA PHE A 47 -5.427 6.793 8.133 1.00 30.32 C ATOM 670 C PHE A 47 -5.483 5.291 8.385 1.00 45.53 C ATOM 671 O PHE A 47 -4.820 4.775 9.288 1.00 13.42 O ATOM 672 CB PHE A 47 -4.494 7.162 6.969 1.00 31.02 C ATOM 673 CG PHE A 47 -3.046 6.736 7.086 1.00 65.22 C ATOM 674 CD1 PHE A 47 -2.658 5.476 6.602 1.00 31.45 C ATOM 675 CD2 PHE A 47 -2.075 7.613 7.609 1.00 33.34 C ATOM 676 CE1 PHE A 47 -1.312 5.088 6.653 1.00 73.33 C ATOM 677 CE2 PHE A 47 -0.724 7.224 7.657 1.00 72.45 C ATOM 678 CZ PHE A 47 -0.340 5.957 7.180 1.00 53.42 C ATOM 0 H PHE A 47 -4.302 6.996 9.881 1.00 10.32 H new ATOM 0 HA PHE A 47 -6.439 7.096 7.864 1.00 30.32 H new ATOM 0 HB2 PHE A 47 -4.902 6.727 6.057 1.00 31.02 H new ATOM 0 HB3 PHE A 47 -4.519 8.245 6.845 1.00 31.02 H new ATOM 0 HD1 PHE A 47 -3.397 4.805 6.190 1.00 31.45 H new ATOM 0 HD2 PHE A 47 -2.369 8.586 7.974 1.00 33.34 H new ATOM 0 HE1 PHE A 47 -1.020 4.116 6.285 1.00 73.33 H new ATOM 0 HE2 PHE A 47 0.018 7.897 8.060 1.00 72.45 H new ATOM 0 HZ PHE A 47 0.696 5.654 7.218 1.00 53.42 H new ATOM 688 N TRP A 48 -6.267 4.600 7.564 1.00 45.34 N ATOM 689 CA TRP A 48 -6.584 3.190 7.710 1.00 4.54 C ATOM 690 C TRP A 48 -6.490 2.487 6.374 1.00 1.25 C ATOM 691 O TRP A 48 -6.495 3.105 5.313 1.00 51.34 O ATOM 692 CB TRP A 48 -8.004 3.050 8.275 1.00 50.30 C ATOM 693 CG TRP A 48 -9.126 3.612 7.444 1.00 22.03 C ATOM 694 CD1 TRP A 48 -9.715 2.973 6.411 1.00 40.50 C ATOM 695 CD2 TRP A 48 -9.876 4.855 7.597 1.00 44.31 C ATOM 696 NE1 TRP A 48 -10.724 3.739 5.880 1.00 2.41 N ATOM 697 CE2 TRP A 48 -10.924 4.879 6.626 1.00 63.21 C ATOM 698 CE3 TRP A 48 -9.816 5.936 8.498 1.00 54.43 C ATOM 699 CZ2 TRP A 48 -11.882 5.900 6.580 1.00 34.05 C ATOM 700 CZ3 TRP A 48 -10.794 6.946 8.486 1.00 14.32 C ATOM 701 CH2 TRP A 48 -11.834 6.924 7.539 1.00 61.14 C ATOM 0 H TRP A 48 -6.713 5.025 6.751 1.00 45.34 H new ATOM 0 HA TRP A 48 -5.869 2.730 8.392 1.00 4.54 H new ATOM 0 HB2 TRP A 48 -8.201 1.991 8.439 1.00 50.30 H new ATOM 0 HB3 TRP A 48 -8.030 3.534 9.251 1.00 50.30 H new ATOM 0 HD1 TRP A 48 -9.432 1.995 6.052 1.00 40.50 H new ATOM 0 HE1 TRP A 48 -11.255 3.496 5.044 1.00 2.41 H new ATOM 0 HE3 TRP A 48 -9.005 5.990 9.210 1.00 54.43 H new ATOM 0 HZ2 TRP A 48 -12.647 5.899 5.817 1.00 34.05 H new ATOM 0 HZ3 TRP A 48 -10.746 7.746 9.210 1.00 14.32 H new ATOM 0 HH2 TRP A 48 -12.593 7.692 7.550 1.00 61.14 H new ATOM 712 N ILE A 49 -6.442 1.169 6.472 1.00 72.01 N ATOM 713 CA ILE A 49 -6.564 0.187 5.429 1.00 63.44 C ATOM 714 C ILE A 49 -8.034 0.165 5.048 1.00 14.33 C ATOM 715 O ILE A 49 -8.847 -0.333 5.831 1.00 60.13 O ATOM 716 CB ILE A 49 -6.133 -1.178 5.994 1.00 12.33 C ATOM 717 CG1 ILE A 49 -4.700 -1.136 6.566 1.00 74.44 C ATOM 718 CG2 ILE A 49 -6.373 -2.253 4.926 1.00 15.33 C ATOM 719 CD1 ILE A 49 -3.576 -0.982 5.545 1.00 0.32 C ATOM 0 H ILE A 49 -6.302 0.725 7.379 1.00 72.01 H new ATOM 0 HA ILE A 49 -5.943 0.412 4.562 1.00 63.44 H new ATOM 0 HB ILE A 49 -6.745 -1.444 6.856 1.00 12.33 H new ATOM 0 HG12 ILE A 49 -4.637 -0.309 7.274 1.00 74.44 H new ATOM 0 HG13 ILE A 49 -4.528 -2.053 7.130 1.00 74.44 H new ATOM 0 HG21 ILE A 49 -6.071 -3.226 5.315 1.00 15.33 H new ATOM 0 HG22 ILE A 49 -7.431 -2.278 4.667 1.00 15.33 H new ATOM 0 HG23 ILE A 49 -5.787 -2.020 4.037 1.00 15.33 H new ATOM 0 HD11 ILE A 49 -2.616 -0.965 6.061 1.00 0.32 H new ATOM 0 HD12 ILE A 49 -3.599 -1.821 4.849 1.00 0.32 H new ATOM 0 HD13 ILE A 49 -3.709 -0.050 4.995 1.00 0.32 H new ATOM 731 N SER A 50 -8.393 0.728 3.897 1.00 75.21 N ATOM 732 CA SER A 50 -9.766 0.634 3.433 1.00 75.41 C ATOM 733 C SER A 50 -9.983 -0.698 2.723 1.00 53.11 C ATOM 734 O SER A 50 -10.898 -1.444 3.084 1.00 4.24 O ATOM 735 CB SER A 50 -10.140 1.854 2.573 1.00 0.24 C ATOM 736 OG SER A 50 -11.233 2.545 3.151 1.00 20.33 O ATOM 0 H SER A 50 -7.763 1.243 3.282 1.00 75.21 H new ATOM 0 HA SER A 50 -10.444 0.653 4.286 1.00 75.41 H new ATOM 0 HB2 SER A 50 -9.283 2.522 2.485 1.00 0.24 H new ATOM 0 HB3 SER A 50 -10.397 1.531 1.564 1.00 0.24 H new ATOM 0 HG SER A 50 -11.461 3.320 2.596 1.00 20.33 H new ATOM 742 N SER A 51 -9.120 -1.035 1.764 1.00 21.05 N ATOM 743 CA SER A 51 -9.323 -2.192 0.906 1.00 23.33 C ATOM 744 C SER A 51 -7.997 -2.908 0.646 1.00 75.31 C ATOM 745 O SER A 51 -6.915 -2.372 0.907 1.00 62.21 O ATOM 746 CB SER A 51 -9.989 -1.735 -0.400 1.00 34.13 C ATOM 747 OG SER A 51 -11.134 -0.926 -0.173 1.00 52.23 O ATOM 0 H SER A 51 -8.266 -0.514 1.564 1.00 21.05 H new ATOM 0 HA SER A 51 -9.980 -2.908 1.400 1.00 23.33 H new ATOM 0 HB2 SER A 51 -9.267 -1.178 -0.997 1.00 34.13 H new ATOM 0 HB3 SER A 51 -10.276 -2.610 -0.983 1.00 34.13 H new ATOM 0 HG SER A 51 -11.522 -0.659 -1.033 1.00 52.23 H new ATOM 753 N VAL A 52 -8.092 -4.131 0.131 1.00 35.25 N ATOM 754 CA VAL A 52 -6.993 -5.025 -0.186 1.00 43.13 C ATOM 755 C VAL A 52 -7.386 -5.792 -1.449 1.00 40.23 C ATOM 756 O VAL A 52 -8.570 -6.054 -1.665 1.00 42.14 O ATOM 757 CB VAL A 52 -6.717 -5.953 1.024 1.00 71.40 C ATOM 758 CG1 VAL A 52 -7.985 -6.633 1.570 1.00 62.32 C ATOM 759 CG2 VAL A 52 -5.668 -7.035 0.713 1.00 40.42 C ATOM 0 H VAL A 52 -8.998 -4.546 -0.088 1.00 35.25 H new ATOM 0 HA VAL A 52 -6.065 -4.487 -0.378 1.00 43.13 H new ATOM 0 HB VAL A 52 -6.326 -5.286 1.792 1.00 71.40 H new ATOM 0 HG11 VAL A 52 -7.722 -7.268 2.416 1.00 62.32 H new ATOM 0 HG12 VAL A 52 -8.695 -5.872 1.895 1.00 62.32 H new ATOM 0 HG13 VAL A 52 -8.438 -7.241 0.787 1.00 62.32 H new ATOM 0 HG21 VAL A 52 -5.514 -7.656 1.595 1.00 40.42 H new ATOM 0 HG22 VAL A 52 -6.019 -7.656 -0.111 1.00 40.42 H new ATOM 0 HG23 VAL A 52 -4.727 -6.560 0.434 1.00 40.42 H new ATOM 769 N LYS A 53 -6.406 -6.195 -2.257 1.00 13.03 N ATOM 770 CA LYS A 53 -6.553 -7.146 -3.359 1.00 2.02 C ATOM 771 C LYS A 53 -5.469 -8.182 -3.180 1.00 41.42 C ATOM 772 O LYS A 53 -4.342 -7.803 -2.889 1.00 4.01 O ATOM 773 CB LYS A 53 -6.441 -6.418 -4.704 1.00 74.12 C ATOM 774 CG LYS A 53 -6.054 -7.276 -5.918 1.00 60.12 C ATOM 775 CD LYS A 53 -6.383 -6.596 -7.262 1.00 74.10 C ATOM 776 CE LYS A 53 -5.816 -5.182 -7.416 1.00 3.13 C ATOM 777 NZ LYS A 53 -6.044 -4.585 -8.753 1.00 3.25 N ATOM 0 H LYS A 53 -5.450 -5.854 -2.158 1.00 13.03 H new ATOM 0 HA LYS A 53 -7.531 -7.627 -3.353 1.00 2.02 H new ATOM 0 HB2 LYS A 53 -7.398 -5.941 -4.915 1.00 74.12 H new ATOM 0 HB3 LYS A 53 -5.704 -5.621 -4.600 1.00 74.12 H new ATOM 0 HG2 LYS A 53 -4.987 -7.493 -5.878 1.00 60.12 H new ATOM 0 HG3 LYS A 53 -6.576 -8.231 -5.863 1.00 60.12 H new ATOM 0 HD2 LYS A 53 -6.000 -7.217 -8.072 1.00 74.10 H new ATOM 0 HD3 LYS A 53 -7.466 -6.554 -7.377 1.00 74.10 H new ATOM 0 HE2 LYS A 53 -6.264 -4.537 -6.660 1.00 3.13 H new ATOM 0 HE3 LYS A 53 -4.744 -5.208 -7.218 1.00 3.13 H new ATOM 0 HZ1 LYS A 53 -5.633 -3.630 -8.781 1.00 3.25 H new ATOM 0 HZ2 LYS A 53 -5.593 -5.177 -9.479 1.00 3.25 H new ATOM 0 HZ3 LYS A 53 -7.066 -4.528 -8.938 1.00 3.25 H new ATOM 791 N GLU A 54 -5.817 -9.455 -3.342 1.00 13.41 N ATOM 792 CA GLU A 54 -4.935 -10.590 -3.080 1.00 53.02 C ATOM 793 C GLU A 54 -5.347 -11.835 -3.873 1.00 14.11 C ATOM 794 O GLU A 54 -5.005 -12.957 -3.497 1.00 40.24 O ATOM 795 CB GLU A 54 -4.838 -10.824 -1.563 1.00 40.33 C ATOM 796 CG GLU A 54 -6.129 -11.079 -0.783 1.00 74.01 C ATOM 797 CD GLU A 54 -6.679 -12.499 -0.908 1.00 15.52 C ATOM 798 OE1 GLU A 54 -6.370 -13.372 -0.064 1.00 73.44 O ATOM 799 OE2 GLU A 54 -7.554 -12.721 -1.769 1.00 15.45 O ATOM 0 H GLU A 54 -6.743 -9.734 -3.667 1.00 13.41 H new ATOM 0 HA GLU A 54 -3.932 -10.357 -3.439 1.00 53.02 H new ATOM 0 HB2 GLU A 54 -4.178 -11.676 -1.400 1.00 40.33 H new ATOM 0 HB3 GLU A 54 -4.351 -9.954 -1.123 1.00 40.33 H new ATOM 0 HG2 GLU A 54 -5.950 -10.865 0.271 1.00 74.01 H new ATOM 0 HG3 GLU A 54 -6.890 -10.378 -1.126 1.00 74.01 H new ATOM 806 N GLU A 55 -6.089 -11.650 -4.968 1.00 74.40 N ATOM 807 CA GLU A 55 -6.306 -12.697 -5.975 1.00 34.12 C ATOM 808 C GLU A 55 -6.686 -12.064 -7.313 1.00 20.25 C ATOM 809 O GLU A 55 -7.640 -12.453 -7.979 1.00 21.14 O ATOM 810 CB GLU A 55 -7.348 -13.715 -5.486 1.00 1.45 C ATOM 811 CG GLU A 55 -6.830 -15.134 -5.752 1.00 0.41 C ATOM 812 CD GLU A 55 -6.705 -15.417 -7.245 1.00 71.34 C ATOM 813 OE1 GLU A 55 -7.746 -15.675 -7.879 1.00 64.20 O ATOM 814 OE2 GLU A 55 -5.566 -15.404 -7.780 1.00 11.25 O ATOM 0 H GLU A 55 -6.557 -10.770 -5.183 1.00 74.40 H new ATOM 0 HA GLU A 55 -5.379 -13.250 -6.128 1.00 34.12 H new ATOM 0 HB2 GLU A 55 -7.537 -13.577 -4.421 1.00 1.45 H new ATOM 0 HB3 GLU A 55 -8.296 -13.559 -6.000 1.00 1.45 H new ATOM 0 HG2 GLU A 55 -5.859 -15.262 -5.275 1.00 0.41 H new ATOM 0 HG3 GLU A 55 -7.506 -15.859 -5.299 1.00 0.41 H new ATOM 821 N GLY A 56 -6.035 -10.952 -7.629 1.00 35.23 N ATOM 822 CA GLY A 56 -6.466 -10.065 -8.705 1.00 24.45 C ATOM 823 C GLY A 56 -7.793 -9.344 -8.409 1.00 62.11 C ATOM 824 O GLY A 56 -8.167 -8.462 -9.180 1.00 35.51 O ATOM 0 H GLY A 56 -5.193 -10.638 -7.147 1.00 35.23 H new ATOM 0 HA2 GLY A 56 -5.690 -9.321 -8.886 1.00 24.45 H new ATOM 0 HA3 GLY A 56 -6.573 -10.644 -9.622 1.00 24.45 H new ATOM 828 N LYS A 57 -8.471 -9.636 -7.291 1.00 3.41 N ATOM 829 CA LYS A 57 -9.747 -9.058 -6.854 1.00 62.22 C ATOM 830 C LYS A 57 -9.748 -8.767 -5.354 1.00 42.11 C ATOM 831 O LYS A 57 -8.865 -9.250 -4.632 1.00 42.34 O ATOM 832 CB LYS A 57 -10.889 -10.006 -7.252 1.00 15.04 C ATOM 833 CG LYS A 57 -10.796 -11.429 -6.663 1.00 43.13 C ATOM 834 CD LYS A 57 -11.546 -11.644 -5.342 1.00 55.23 C ATOM 835 CE LYS A 57 -11.473 -13.145 -5.008 1.00 14.11 C ATOM 836 NZ LYS A 57 -12.541 -13.587 -4.089 1.00 22.25 N ATOM 0 H LYS A 57 -8.120 -10.326 -6.626 1.00 3.41 H new ATOM 0 HA LYS A 57 -9.894 -8.099 -7.351 1.00 62.22 H new ATOM 0 HB2 LYS A 57 -11.834 -9.562 -6.940 1.00 15.04 H new ATOM 0 HB3 LYS A 57 -10.916 -10.081 -8.339 1.00 15.04 H new ATOM 0 HG2 LYS A 57 -11.181 -12.135 -7.399 1.00 43.13 H new ATOM 0 HG3 LYS A 57 -9.745 -11.672 -6.508 1.00 43.13 H new ATOM 0 HD2 LYS A 57 -11.097 -11.052 -4.545 1.00 55.23 H new ATOM 0 HD3 LYS A 57 -12.583 -11.321 -5.433 1.00 55.23 H new ATOM 0 HE2 LYS A 57 -11.536 -13.720 -5.932 1.00 14.11 H new ATOM 0 HE3 LYS A 57 -10.503 -13.365 -4.561 1.00 14.11 H new ATOM 0 HZ1 LYS A 57 -12.439 -14.605 -3.902 1.00 22.25 H new ATOM 0 HZ2 LYS A 57 -12.469 -13.062 -3.194 1.00 22.25 H new ATOM 0 HZ3 LYS A 57 -13.469 -13.406 -4.522 1.00 22.25 H new ATOM 850 N PHE A 58 -10.736 -7.991 -4.898 1.00 34.23 N ATOM 851 CA PHE A 58 -10.805 -7.447 -3.542 1.00 32.35 C ATOM 852 C PHE A 58 -11.479 -8.417 -2.558 1.00 4.13 C ATOM 853 O PHE A 58 -12.171 -9.351 -2.972 1.00 23.14 O ATOM 854 CB PHE A 58 -11.549 -6.093 -3.566 1.00 32.43 C ATOM 855 CG PHE A 58 -10.749 -4.863 -3.990 1.00 54.01 C ATOM 856 CD1 PHE A 58 -9.787 -4.901 -5.020 1.00 22.35 C ATOM 857 CD2 PHE A 58 -10.984 -3.638 -3.337 1.00 64.11 C ATOM 858 CE1 PHE A 58 -9.030 -3.757 -5.334 1.00 41.11 C ATOM 859 CE2 PHE A 58 -10.262 -2.484 -3.684 1.00 44.00 C ATOM 860 CZ PHE A 58 -9.268 -2.543 -4.670 1.00 60.42 C ATOM 0 H PHE A 58 -11.529 -7.718 -5.478 1.00 34.23 H new ATOM 0 HA PHE A 58 -9.785 -7.299 -3.188 1.00 32.35 H new ATOM 0 HB2 PHE A 58 -12.402 -6.189 -4.237 1.00 32.43 H new ATOM 0 HB3 PHE A 58 -11.947 -5.909 -2.568 1.00 32.43 H new ATOM 0 HD1 PHE A 58 -9.630 -5.816 -5.573 1.00 22.35 H new ATOM 0 HD2 PHE A 58 -11.730 -3.585 -2.558 1.00 64.11 H new ATOM 0 HE1 PHE A 58 -8.261 -3.813 -6.090 1.00 41.11 H new ATOM 0 HE2 PHE A 58 -10.474 -1.548 -3.189 1.00 44.00 H new ATOM 0 HZ PHE A 58 -8.691 -1.664 -4.917 1.00 60.42 H new ATOM 870 N LYS A 59 -11.305 -8.175 -1.254 1.00 42.54 N ATOM 871 CA LYS A 59 -11.985 -8.826 -0.130 1.00 3.52 C ATOM 872 C LYS A 59 -12.283 -7.827 0.988 1.00 35.12 C ATOM 873 O LYS A 59 -11.933 -6.650 0.887 1.00 74.23 O ATOM 874 CB LYS A 59 -11.154 -10.004 0.396 1.00 72.32 C ATOM 875 CG LYS A 59 -9.903 -9.616 1.206 1.00 53.24 C ATOM 876 CD LYS A 59 -9.503 -10.750 2.160 1.00 12.42 C ATOM 877 CE LYS A 59 -8.687 -11.709 1.310 1.00 33.44 C ATOM 878 NZ LYS A 59 -8.357 -12.998 1.939 1.00 35.22 N ATOM 0 H LYS A 59 -10.640 -7.471 -0.935 1.00 42.54 H new ATOM 0 HA LYS A 59 -12.937 -9.214 -0.491 1.00 3.52 H new ATOM 0 HB2 LYS A 59 -11.793 -10.628 1.021 1.00 72.32 H new ATOM 0 HB3 LYS A 59 -10.843 -10.615 -0.451 1.00 72.32 H new ATOM 0 HG2 LYS A 59 -9.078 -9.396 0.528 1.00 53.24 H new ATOM 0 HG3 LYS A 59 -10.099 -8.707 1.775 1.00 53.24 H new ATOM 0 HD2 LYS A 59 -8.919 -10.372 2.999 1.00 12.42 H new ATOM 0 HD3 LYS A 59 -10.381 -11.242 2.578 1.00 12.42 H new ATOM 0 HE2 LYS A 59 -9.235 -11.905 0.389 1.00 33.44 H new ATOM 0 HE3 LYS A 59 -7.757 -11.215 1.028 1.00 33.44 H new ATOM 0 HZ1 LYS A 59 -7.591 -13.458 1.407 1.00 35.22 H new ATOM 0 HZ2 LYS A 59 -8.049 -12.837 2.919 1.00 35.22 H new ATOM 0 HZ3 LYS A 59 -9.197 -13.611 1.936 1.00 35.22 H new ATOM 892 N GLU A 60 -12.877 -8.345 2.061 1.00 63.02 N ATOM 893 CA GLU A 60 -13.087 -7.658 3.326 1.00 52.30 C ATOM 894 C GLU A 60 -11.750 -7.591 4.067 1.00 2.53 C ATOM 895 O GLU A 60 -10.987 -8.555 4.044 1.00 71.31 O ATOM 896 CB GLU A 60 -14.091 -8.463 4.165 1.00 4.45 C ATOM 897 CG GLU A 60 -15.529 -8.362 3.649 1.00 0.21 C ATOM 898 CD GLU A 60 -16.603 -8.382 4.739 1.00 40.33 C ATOM 899 OE1 GLU A 60 -16.496 -9.120 5.752 1.00 12.51 O ATOM 900 OE2 GLU A 60 -17.616 -7.672 4.577 1.00 32.22 O ATOM 0 H GLU A 60 -13.240 -9.298 2.069 1.00 63.02 H new ATOM 0 HA GLU A 60 -13.472 -6.652 3.156 1.00 52.30 H new ATOM 0 HB2 GLU A 60 -13.789 -9.510 4.175 1.00 4.45 H new ATOM 0 HB3 GLU A 60 -14.057 -8.111 5.196 1.00 4.45 H new ATOM 0 HG2 GLU A 60 -15.631 -7.441 3.075 1.00 0.21 H new ATOM 0 HG3 GLU A 60 -15.713 -9.188 2.962 1.00 0.21 H new ATOM 907 N ASN A 61 -11.472 -6.489 4.766 1.00 3.45 N ATOM 908 CA ASN A 61 -10.242 -6.306 5.526 1.00 34.01 C ATOM 909 C ASN A 61 -10.589 -6.388 7.011 1.00 52.10 C ATOM 910 O ASN A 61 -11.199 -5.472 7.569 1.00 24.22 O ATOM 911 CB ASN A 61 -9.536 -4.997 5.138 1.00 41.50 C ATOM 912 CG ASN A 61 -8.051 -5.134 5.420 1.00 24.33 C ATOM 913 OD1 ASN A 61 -7.281 -5.471 4.532 1.00 35.03 O ATOM 914 ND2 ASN A 61 -7.632 -4.931 6.654 1.00 72.03 N ATOM 0 H ASN A 61 -12.105 -5.691 4.818 1.00 3.45 H new ATOM 0 HA ASN A 61 -9.525 -7.094 5.294 1.00 34.01 H new ATOM 0 HB2 ASN A 61 -9.700 -4.779 4.083 1.00 41.50 H new ATOM 0 HB3 ASN A 61 -9.951 -4.163 5.704 1.00 41.50 H new ATOM 0 HD21 ASN A 61 -6.646 -5.055 6.885 1.00 72.03 H new ATOM 0 HD22 ASN A 61 -8.294 -4.650 7.378 1.00 72.03 H new ATOM 921 N THR A 62 -10.248 -7.505 7.644 1.00 13.33 N ATOM 922 CA THR A 62 -10.648 -7.865 9.005 1.00 55.51 C ATOM 923 C THR A 62 -10.093 -6.942 10.108 1.00 53.10 C ATOM 924 O THR A 62 -10.509 -7.032 11.262 1.00 34.22 O ATOM 925 CB THR A 62 -10.349 -9.361 9.202 1.00 23.35 C ATOM 926 OG1 THR A 62 -10.801 -9.861 10.441 1.00 50.23 O ATOM 927 CG2 THR A 62 -8.853 -9.647 9.100 1.00 62.21 C ATOM 0 H THR A 62 -9.661 -8.216 7.207 1.00 13.33 H new ATOM 0 HA THR A 62 -11.720 -7.700 9.117 1.00 55.51 H new ATOM 0 HB THR A 62 -10.893 -9.865 8.403 1.00 23.35 H new ATOM 0 HG1 THR A 62 -10.850 -9.129 11.091 1.00 50.23 H new ATOM 0 HG21 THR A 62 -8.676 -10.713 9.244 1.00 62.21 H new ATOM 0 HG22 THR A 62 -8.492 -9.349 8.116 1.00 62.21 H new ATOM 0 HG23 THR A 62 -8.322 -9.084 9.867 1.00 62.21 H new ATOM 935 N SER A 63 -9.213 -6.004 9.769 1.00 74.32 N ATOM 936 CA SER A 63 -8.799 -4.911 10.640 1.00 25.24 C ATOM 937 C SER A 63 -8.803 -3.623 9.819 1.00 50.52 C ATOM 938 O SER A 63 -9.050 -3.656 8.614 1.00 63.13 O ATOM 939 CB SER A 63 -7.432 -5.254 11.251 1.00 42.32 C ATOM 940 OG SER A 63 -7.008 -4.346 12.249 1.00 24.24 O ATOM 0 H SER A 63 -8.757 -5.984 8.857 1.00 74.32 H new ATOM 0 HA SER A 63 -9.483 -4.764 11.476 1.00 25.24 H new ATOM 0 HB2 SER A 63 -7.477 -6.255 11.680 1.00 42.32 H new ATOM 0 HB3 SER A 63 -6.686 -5.281 10.457 1.00 42.32 H new ATOM 0 HG SER A 63 -6.134 -4.624 12.595 1.00 24.24 H new ATOM 946 N TYR A 64 -8.508 -2.487 10.444 1.00 13.42 N ATOM 947 CA TYR A 64 -8.397 -1.202 9.773 1.00 13.14 C ATOM 948 C TYR A 64 -6.976 -0.649 9.811 1.00 33.44 C ATOM 949 O TYR A 64 -6.689 0.287 9.081 1.00 41.30 O ATOM 950 CB TYR A 64 -9.431 -0.233 10.359 1.00 33.13 C ATOM 951 CG TYR A 64 -10.859 -0.525 9.926 1.00 43.31 C ATOM 952 CD1 TYR A 64 -11.192 -0.481 8.559 1.00 42.44 C ATOM 953 CD2 TYR A 64 -11.862 -0.798 10.875 1.00 30.15 C ATOM 954 CE1 TYR A 64 -12.513 -0.696 8.138 1.00 52.23 C ATOM 955 CE2 TYR A 64 -13.189 -1.019 10.461 1.00 24.31 C ATOM 956 CZ TYR A 64 -13.523 -0.960 9.090 1.00 51.41 C ATOM 957 OH TYR A 64 -14.811 -1.150 8.702 1.00 70.02 O ATOM 0 H TYR A 64 -8.337 -2.436 11.448 1.00 13.42 H new ATOM 0 HA TYR A 64 -8.618 -1.337 8.714 1.00 13.14 H new ATOM 0 HB2 TYR A 64 -9.376 -0.272 11.447 1.00 33.13 H new ATOM 0 HB3 TYR A 64 -9.172 0.783 10.063 1.00 33.13 H new ATOM 0 HD1 TYR A 64 -10.423 -0.280 7.827 1.00 42.44 H new ATOM 0 HD2 TYR A 64 -11.612 -0.838 11.925 1.00 30.15 H new ATOM 0 HE1 TYR A 64 -12.758 -0.660 7.087 1.00 52.23 H new ATOM 0 HE2 TYR A 64 -13.953 -1.234 11.193 1.00 24.31 H new ATOM 0 HH TYR A 64 -15.368 -1.321 9.490 1.00 70.02 H new ATOM 967 N LYS A 65 -6.045 -1.221 10.575 1.00 64.13 N ATOM 968 CA LYS A 65 -4.649 -0.757 10.577 1.00 71.14 C ATOM 969 C LYS A 65 -3.667 -1.896 10.311 1.00 11.51 C ATOM 970 O LYS A 65 -2.464 -1.655 10.234 1.00 23.14 O ATOM 971 CB LYS A 65 -4.377 0.035 11.867 1.00 52.51 C ATOM 972 CG LYS A 65 -4.806 1.514 11.711 1.00 5.13 C ATOM 973 CD LYS A 65 -5.148 2.160 13.055 1.00 30.22 C ATOM 974 CE LYS A 65 -6.583 1.802 13.468 1.00 52.10 C ATOM 975 NZ LYS A 65 -6.759 1.745 14.930 1.00 63.40 N ATOM 0 H LYS A 65 -6.227 -2.005 11.201 1.00 64.13 H new ATOM 0 HA LYS A 65 -4.487 -0.072 9.745 1.00 71.14 H new ATOM 0 HB2 LYS A 65 -4.918 -0.419 12.697 1.00 52.51 H new ATOM 0 HB3 LYS A 65 -3.316 -0.016 12.112 1.00 52.51 H new ATOM 0 HG2 LYS A 65 -4.003 2.075 11.234 1.00 5.13 H new ATOM 0 HG3 LYS A 65 -5.671 1.572 11.051 1.00 5.13 H new ATOM 0 HD2 LYS A 65 -4.447 1.821 13.818 1.00 30.22 H new ATOM 0 HD3 LYS A 65 -5.042 3.242 12.983 1.00 30.22 H new ATOM 0 HE2 LYS A 65 -7.270 2.539 13.052 1.00 52.10 H new ATOM 0 HE3 LYS A 65 -6.850 0.837 13.037 1.00 52.10 H new ATOM 0 HZ1 LYS A 65 -7.745 1.500 15.152 1.00 63.40 H new ATOM 0 HZ2 LYS A 65 -6.125 1.023 15.328 1.00 63.40 H new ATOM 0 HZ3 LYS A 65 -6.532 2.672 15.343 1.00 63.40 H new ATOM 989 N GLU A 66 -4.170 -3.110 10.089 1.00 43.12 N ATOM 990 CA GLU A 66 -3.380 -4.286 9.785 1.00 71.02 C ATOM 991 C GLU A 66 -4.060 -5.054 8.659 1.00 43.40 C ATOM 992 O GLU A 66 -5.266 -4.914 8.421 1.00 63.14 O ATOM 993 CB GLU A 66 -3.262 -5.144 11.055 1.00 31.24 C ATOM 994 CG GLU A 66 -2.011 -4.753 11.842 1.00 25.31 C ATOM 995 CD GLU A 66 -2.016 -5.162 13.319 1.00 53.51 C ATOM 996 OE1 GLU A 66 -3.092 -5.405 13.916 1.00 73.13 O ATOM 997 OE2 GLU A 66 -0.902 -5.236 13.883 1.00 4.34 O ATOM 0 H GLU A 66 -5.172 -3.300 10.119 1.00 43.12 H new ATOM 0 HA GLU A 66 -2.377 -4.011 9.460 1.00 71.02 H new ATOM 0 HB2 GLU A 66 -4.148 -5.011 11.676 1.00 31.24 H new ATOM 0 HB3 GLU A 66 -3.217 -6.199 10.787 1.00 31.24 H new ATOM 0 HG2 GLU A 66 -1.143 -5.202 11.360 1.00 25.31 H new ATOM 0 HG3 GLU A 66 -1.886 -3.672 11.781 1.00 25.31 H new ATOM 1004 N PHE A 67 -3.275 -5.893 7.996 1.00 22.13 N ATOM 1005 CA PHE A 67 -3.752 -6.992 7.170 1.00 20.15 C ATOM 1006 C PHE A 67 -2.632 -8.018 7.106 1.00 3.43 C ATOM 1007 O PHE A 67 -1.522 -7.672 6.709 1.00 42.22 O ATOM 1008 CB PHE A 67 -4.122 -6.526 5.753 1.00 41.52 C ATOM 1009 CG PHE A 67 -4.436 -7.672 4.799 1.00 31.24 C ATOM 1010 CD1 PHE A 67 -5.743 -8.182 4.683 1.00 72.32 C ATOM 1011 CD2 PHE A 67 -3.399 -8.273 4.061 1.00 63.33 C ATOM 1012 CE1 PHE A 67 -6.011 -9.268 3.827 1.00 35.12 C ATOM 1013 CE2 PHE A 67 -3.659 -9.377 3.232 1.00 40.33 C ATOM 1014 CZ PHE A 67 -4.965 -9.876 3.114 1.00 75.31 C ATOM 0 H PHE A 67 -2.258 -5.825 8.020 1.00 22.13 H new ATOM 0 HA PHE A 67 -4.658 -7.414 7.606 1.00 20.15 H new ATOM 0 HB2 PHE A 67 -4.986 -5.865 5.811 1.00 41.52 H new ATOM 0 HB3 PHE A 67 -3.299 -5.940 5.345 1.00 41.52 H new ATOM 0 HD1 PHE A 67 -6.545 -7.738 5.254 1.00 72.32 H new ATOM 0 HD2 PHE A 67 -2.395 -7.882 4.133 1.00 63.33 H new ATOM 0 HE1 PHE A 67 -7.022 -9.633 3.719 1.00 35.12 H new ATOM 0 HE2 PHE A 67 -2.852 -9.842 2.685 1.00 40.33 H new ATOM 0 HZ PHE A 67 -5.165 -10.725 2.477 1.00 75.31 H new ATOM 1024 N ASP A 68 -2.895 -9.274 7.438 1.00 74.43 N ATOM 1025 CA ASP A 68 -1.969 -10.370 7.305 1.00 52.54 C ATOM 1026 C ASP A 68 -2.603 -11.418 6.399 1.00 23.22 C ATOM 1027 O ASP A 68 -3.737 -11.840 6.622 1.00 61.20 O ATOM 1028 CB ASP A 68 -1.597 -10.888 8.690 1.00 35.11 C ATOM 1029 CG ASP A 68 -2.645 -11.763 9.379 1.00 4.55 C ATOM 1030 OD1 ASP A 68 -3.646 -11.202 9.877 1.00 31.05 O ATOM 1031 OD2 ASP A 68 -2.396 -12.984 9.514 1.00 12.41 O ATOM 0 H ASP A 68 -3.796 -9.560 7.821 1.00 74.43 H new ATOM 0 HA ASP A 68 -1.033 -10.063 6.839 1.00 52.54 H new ATOM 0 HB2 ASP A 68 -0.672 -11.459 8.607 1.00 35.11 H new ATOM 0 HB3 ASP A 68 -1.387 -10.033 9.332 1.00 35.11 H new ATOM 1036 N GLY A 69 -1.890 -11.782 5.336 1.00 61.01 N ATOM 1037 CA GLY A 69 -2.351 -12.657 4.261 1.00 74.11 C ATOM 1038 C GLY A 69 -1.380 -13.802 4.000 1.00 64.43 C ATOM 1039 O GLY A 69 -1.181 -14.195 2.849 1.00 24.01 O ATOM 0 H GLY A 69 -0.932 -11.461 5.194 1.00 61.01 H new ATOM 0 HA2 GLY A 69 -3.329 -13.063 4.519 1.00 74.11 H new ATOM 0 HA3 GLY A 69 -2.478 -12.074 3.349 1.00 74.11 H new ATOM 1043 N GLY A 70 -0.722 -14.319 5.039 1.00 63.31 N ATOM 1044 CA GLY A 70 0.297 -15.350 4.932 1.00 41.32 C ATOM 1045 C GLY A 70 1.553 -14.779 4.291 1.00 55.21 C ATOM 1046 O GLY A 70 2.427 -14.282 4.997 1.00 32.24 O ATOM 0 H GLY A 70 -0.891 -14.021 6.000 1.00 63.31 H new ATOM 0 HA2 GLY A 70 0.531 -15.745 5.921 1.00 41.32 H new ATOM 0 HA3 GLY A 70 -0.078 -16.183 4.337 1.00 41.32 H new ATOM 1050 N TRP A 71 1.648 -14.786 2.958 1.00 40.40 N ATOM 1051 CA TRP A 71 2.815 -14.268 2.245 1.00 11.41 C ATOM 1052 C TRP A 71 2.911 -12.732 2.264 1.00 73.24 C ATOM 1053 O TRP A 71 3.807 -12.174 1.626 1.00 3.41 O ATOM 1054 CB TRP A 71 2.899 -14.849 0.821 1.00 71.31 C ATOM 1055 CG TRP A 71 1.863 -14.442 -0.186 1.00 13.45 C ATOM 1056 CD1 TRP A 71 0.665 -15.036 -0.353 1.00 22.42 C ATOM 1057 CD2 TRP A 71 1.950 -13.448 -1.251 1.00 43.03 C ATOM 1058 NE1 TRP A 71 -0.006 -14.461 -1.414 1.00 12.12 N ATOM 1059 CE2 TRP A 71 0.771 -13.519 -2.049 1.00 31.21 C ATOM 1060 CE3 TRP A 71 2.937 -12.535 -1.665 1.00 55.11 C ATOM 1061 CZ2 TRP A 71 0.588 -12.732 -3.199 1.00 4.04 C ATOM 1062 CZ3 TRP A 71 2.765 -11.731 -2.809 1.00 15.25 C ATOM 1063 CH2 TRP A 71 1.600 -11.839 -3.589 1.00 60.10 C ATOM 0 H TRP A 71 0.918 -15.151 2.346 1.00 40.40 H new ATOM 0 HA TRP A 71 3.693 -14.612 2.792 1.00 11.41 H new ATOM 0 HB2 TRP A 71 3.876 -14.587 0.414 1.00 71.31 H new ATOM 0 HB3 TRP A 71 2.869 -15.935 0.905 1.00 71.31 H new ATOM 0 HD1 TRP A 71 0.285 -15.844 0.255 1.00 22.42 H new ATOM 0 HE1 TRP A 71 -0.957 -14.704 -1.692 1.00 12.12 H new ATOM 0 HE3 TRP A 71 3.848 -12.448 -1.092 1.00 55.11 H new ATOM 0 HZ2 TRP A 71 -0.321 -12.813 -3.777 1.00 4.04 H new ATOM 0 HZ3 TRP A 71 3.534 -11.026 -3.089 1.00 15.25 H new ATOM 0 HH2 TRP A 71 1.484 -11.240 -4.480 1.00 60.10 H new ATOM 1074 N TYR A 72 2.009 -12.035 2.964 1.00 22.21 N ATOM 1075 CA TYR A 72 1.903 -10.584 2.952 1.00 21.43 C ATOM 1076 C TYR A 72 1.537 -10.084 4.354 1.00 43.23 C ATOM 1077 O TYR A 72 0.762 -10.751 5.047 1.00 52.51 O ATOM 1078 CB TYR A 72 0.841 -10.208 1.907 1.00 73.31 C ATOM 1079 CG TYR A 72 0.922 -8.806 1.333 1.00 1.32 C ATOM 1080 CD1 TYR A 72 1.752 -8.557 0.218 1.00 53.31 C ATOM 1081 CD2 TYR A 72 0.084 -7.783 1.824 1.00 51.11 C ATOM 1082 CE1 TYR A 72 1.728 -7.302 -0.416 1.00 62.21 C ATOM 1083 CE2 TYR A 72 0.042 -6.534 1.180 1.00 4.41 C ATOM 1084 CZ TYR A 72 0.847 -6.304 0.046 1.00 41.51 C ATOM 1085 OH TYR A 72 0.707 -5.145 -0.647 1.00 22.02 O ATOM 0 H TYR A 72 1.319 -12.482 3.567 1.00 22.21 H new ATOM 0 HA TYR A 72 2.849 -10.113 2.684 1.00 21.43 H new ATOM 0 HB2 TYR A 72 0.907 -10.918 1.083 1.00 73.31 H new ATOM 0 HB3 TYR A 72 -0.143 -10.335 2.359 1.00 73.31 H new ATOM 0 HD1 TYR A 72 2.407 -9.333 -0.149 1.00 53.31 H new ATOM 0 HD2 TYR A 72 -0.527 -7.960 2.697 1.00 51.11 H new ATOM 0 HE1 TYR A 72 2.381 -7.104 -1.253 1.00 62.21 H new ATOM 0 HE2 TYR A 72 -0.605 -5.754 1.553 1.00 4.41 H new ATOM 0 HH TYR A 72 1.520 -4.975 -1.167 1.00 22.02 H new ATOM 1095 N LEU A 73 2.055 -8.921 4.769 1.00 74.13 N ATOM 1096 CA LEU A 73 1.814 -8.330 6.083 1.00 51.53 C ATOM 1097 C LEU A 73 1.833 -6.808 5.989 1.00 60.31 C ATOM 1098 O LEU A 73 2.904 -6.249 5.769 1.00 20.34 O ATOM 1099 CB LEU A 73 2.900 -8.786 7.078 1.00 62.03 C ATOM 1100 CG LEU A 73 2.563 -8.400 8.536 1.00 43.24 C ATOM 1101 CD1 LEU A 73 1.260 -9.015 9.047 1.00 55.20 C ATOM 1102 CD2 LEU A 73 3.687 -8.851 9.468 1.00 30.33 C ATOM 0 H LEU A 73 2.668 -8.354 4.183 1.00 74.13 H new ATOM 0 HA LEU A 73 0.836 -8.660 6.433 1.00 51.53 H new ATOM 0 HB2 LEU A 73 3.020 -9.867 7.010 1.00 62.03 H new ATOM 0 HB3 LEU A 73 3.855 -8.341 6.799 1.00 62.03 H new ATOM 0 HG LEU A 73 2.447 -7.316 8.535 1.00 43.24 H new ATOM 0 HD11 LEU A 73 1.088 -8.700 10.076 1.00 55.20 H new ATOM 0 HD12 LEU A 73 0.431 -8.682 8.423 1.00 55.20 H new ATOM 0 HD13 LEU A 73 1.330 -10.102 9.007 1.00 55.20 H new ATOM 0 HD21 LEU A 73 3.442 -8.575 10.494 1.00 30.33 H new ATOM 0 HD22 LEU A 73 3.803 -9.933 9.401 1.00 30.33 H new ATOM 0 HD23 LEU A 73 4.619 -8.367 9.175 1.00 30.33 H new ATOM 1114 N VAL A 74 0.696 -6.142 6.179 1.00 33.33 N ATOM 1115 CA VAL A 74 0.571 -4.687 6.278 1.00 14.14 C ATOM 1116 C VAL A 74 0.415 -4.303 7.745 1.00 22.24 C ATOM 1117 O VAL A 74 -0.359 -4.937 8.467 1.00 71.30 O ATOM 1118 CB VAL A 74 -0.638 -4.149 5.471 1.00 21.43 C ATOM 1119 CG1 VAL A 74 -0.448 -2.645 5.225 1.00 12.32 C ATOM 1120 CG2 VAL A 74 -0.727 -4.821 4.096 1.00 1.52 C ATOM 0 H VAL A 74 -0.201 -6.619 6.272 1.00 33.33 H new ATOM 0 HA VAL A 74 1.471 -4.241 5.855 1.00 14.14 H new ATOM 0 HB VAL A 74 -1.542 -4.356 6.044 1.00 21.43 H new ATOM 0 HG11 VAL A 74 -1.295 -2.259 4.658 1.00 12.32 H new ATOM 0 HG12 VAL A 74 -0.385 -2.125 6.181 1.00 12.32 H new ATOM 0 HG13 VAL A 74 0.471 -2.482 4.662 1.00 12.32 H new ATOM 0 HG21 VAL A 74 -1.584 -4.424 3.552 1.00 1.52 H new ATOM 0 HG22 VAL A 74 0.185 -4.620 3.533 1.00 1.52 H new ATOM 0 HG23 VAL A 74 -0.845 -5.897 4.224 1.00 1.52 H new ATOM 1130 N LYS A 75 1.108 -3.243 8.168 1.00 13.34 N ATOM 1131 CA LYS A 75 0.972 -2.618 9.478 1.00 50.43 C ATOM 1132 C LYS A 75 0.965 -1.101 9.284 1.00 5.54 C ATOM 1133 O LYS A 75 1.697 -0.581 8.437 1.00 10.31 O ATOM 1134 CB LYS A 75 2.142 -3.070 10.373 1.00 10.25 C ATOM 1135 CG LYS A 75 1.938 -4.493 10.912 1.00 74.10 C ATOM 1136 CD LYS A 75 3.162 -5.089 11.628 1.00 42.41 C ATOM 1137 CE LYS A 75 4.234 -5.604 10.648 1.00 22.12 C ATOM 1138 NZ LYS A 75 5.278 -6.417 11.320 1.00 33.33 N ATOM 0 H LYS A 75 1.804 -2.782 7.582 1.00 13.34 H new ATOM 0 HA LYS A 75 0.043 -2.914 9.965 1.00 50.43 H new ATOM 0 HB2 LYS A 75 3.071 -3.028 9.804 1.00 10.25 H new ATOM 0 HB3 LYS A 75 2.248 -2.378 11.208 1.00 10.25 H new ATOM 0 HG2 LYS A 75 1.096 -4.488 11.604 1.00 74.10 H new ATOM 0 HG3 LYS A 75 1.665 -5.146 10.083 1.00 74.10 H new ATOM 0 HD2 LYS A 75 3.603 -4.332 12.276 1.00 42.41 H new ATOM 0 HD3 LYS A 75 2.839 -5.909 12.270 1.00 42.41 H new ATOM 0 HE2 LYS A 75 3.755 -6.203 9.873 1.00 22.12 H new ATOM 0 HE3 LYS A 75 4.704 -4.756 10.150 1.00 22.12 H new ATOM 0 HZ1 LYS A 75 5.974 -6.738 10.617 1.00 33.33 H new ATOM 0 HZ2 LYS A 75 5.756 -5.840 12.042 1.00 33.33 H new ATOM 0 HZ3 LYS A 75 4.837 -7.243 11.773 1.00 33.33 H new ATOM 1152 N ILE A 76 0.170 -0.383 10.076 1.00 31.25 N ATOM 1153 CA ILE A 76 0.151 1.075 10.182 1.00 51.30 C ATOM 1154 C ILE A 76 0.457 1.393 11.639 1.00 63.02 C ATOM 1155 O ILE A 76 -0.290 0.993 12.525 1.00 41.13 O ATOM 1156 CB ILE A 76 -1.215 1.658 9.748 1.00 74.03 C ATOM 1157 CG1 ILE A 76 -1.426 1.435 8.239 1.00 65.22 C ATOM 1158 CG2 ILE A 76 -1.329 3.166 10.076 1.00 25.14 C ATOM 1159 CD1 ILE A 76 -2.826 1.826 7.767 1.00 52.50 C ATOM 0 H ILE A 76 -0.513 -0.825 10.692 1.00 31.25 H new ATOM 0 HA ILE A 76 0.887 1.528 9.517 1.00 51.30 H new ATOM 0 HB ILE A 76 -1.990 1.136 10.310 1.00 74.03 H new ATOM 0 HG12 ILE A 76 -0.687 2.014 7.685 1.00 65.22 H new ATOM 0 HG13 ILE A 76 -1.250 0.385 8.004 1.00 65.22 H new ATOM 0 HG21 ILE A 76 -2.303 3.536 9.755 1.00 25.14 H new ATOM 0 HG22 ILE A 76 -1.221 3.314 11.151 1.00 25.14 H new ATOM 0 HG23 ILE A 76 -0.544 3.712 9.554 1.00 25.14 H new ATOM 0 HD11 ILE A 76 -2.912 1.646 6.695 1.00 52.50 H new ATOM 0 HD12 ILE A 76 -3.568 1.229 8.296 1.00 52.50 H new ATOM 0 HD13 ILE A 76 -2.997 2.883 7.972 1.00 52.50 H new ATOM 1171 N GLU A 77 1.551 2.110 11.892 1.00 3.55 N ATOM 1172 CA GLU A 77 1.949 2.538 13.220 1.00 14.13 C ATOM 1173 C GLU A 77 2.107 4.044 13.241 1.00 72.41 C ATOM 1174 O GLU A 77 3.068 4.590 12.694 1.00 41.23 O ATOM 1175 CB GLU A 77 3.245 1.844 13.636 1.00 70.44 C ATOM 1176 CG GLU A 77 2.931 0.488 14.280 1.00 44.53 C ATOM 1177 CD GLU A 77 2.144 0.666 15.588 1.00 72.22 C ATOM 1178 OE1 GLU A 77 2.276 1.740 16.220 1.00 72.04 O ATOM 1179 OE2 GLU A 77 1.366 -0.248 15.940 1.00 13.11 O ATOM 0 H GLU A 77 2.194 2.413 11.160 1.00 3.55 H new ATOM 0 HA GLU A 77 1.177 2.259 13.937 1.00 14.13 H new ATOM 0 HB2 GLU A 77 3.887 1.703 12.766 1.00 70.44 H new ATOM 0 HB3 GLU A 77 3.794 2.471 14.339 1.00 70.44 H new ATOM 0 HG2 GLU A 77 2.355 -0.123 13.585 1.00 44.53 H new ATOM 0 HG3 GLU A 77 3.859 -0.047 14.480 1.00 44.53 H new ATOM 1186 N ASP A 78 1.150 4.699 13.890 1.00 2.54 N ATOM 1187 CA ASP A 78 1.018 6.142 14.084 1.00 2.52 C ATOM 1188 C ASP A 78 0.812 6.861 12.746 1.00 31.32 C ATOM 1189 O ASP A 78 -0.299 7.282 12.429 1.00 45.23 O ATOM 1190 CB ASP A 78 2.216 6.670 14.894 1.00 21.24 C ATOM 1191 CG ASP A 78 2.084 8.130 15.302 1.00 11.43 C ATOM 1192 OD1 ASP A 78 0.984 8.516 15.754 1.00 34.10 O ATOM 1193 OD2 ASP A 78 3.105 8.859 15.249 1.00 51.12 O ATOM 0 H ASP A 78 0.382 4.193 14.331 1.00 2.54 H new ATOM 0 HA ASP A 78 0.123 6.355 14.669 1.00 2.52 H new ATOM 0 HB2 ASP A 78 2.334 6.061 15.790 1.00 21.24 H new ATOM 0 HB3 ASP A 78 3.124 6.548 14.304 1.00 21.24 H new ATOM 1198 N ASN A 79 1.857 6.951 11.928 1.00 64.33 N ATOM 1199 CA ASN A 79 1.861 7.517 10.582 1.00 22.14 C ATOM 1200 C ASN A 79 2.746 6.713 9.611 1.00 33.31 C ATOM 1201 O ASN A 79 2.888 7.116 8.458 1.00 41.55 O ATOM 1202 CB ASN A 79 2.302 8.978 10.626 1.00 71.43 C ATOM 1203 CG ASN A 79 3.782 9.177 10.895 1.00 22.22 C ATOM 1204 OD1 ASN A 79 4.420 8.450 11.651 1.00 24.04 O ATOM 1205 ND2 ASN A 79 4.364 10.207 10.322 1.00 71.41 N ATOM 0 H ASN A 79 2.778 6.611 12.203 1.00 64.33 H new ATOM 0 HA ASN A 79 0.841 7.461 10.202 1.00 22.14 H new ATOM 0 HB2 ASN A 79 2.051 9.450 9.676 1.00 71.43 H new ATOM 0 HB3 ASN A 79 1.732 9.494 11.398 1.00 71.43 H new ATOM 0 HD21 ASN A 79 5.348 10.404 10.505 1.00 71.41 H new ATOM 0 HD22 ASN A 79 3.832 10.809 9.694 1.00 71.41 H new ATOM 1212 N GLU A 80 3.361 5.606 10.045 1.00 72.21 N ATOM 1213 CA GLU A 80 4.220 4.748 9.232 1.00 31.03 C ATOM 1214 C GLU A 80 3.442 3.507 8.795 1.00 71.31 C ATOM 1215 O GLU A 80 3.271 2.555 9.565 1.00 42.50 O ATOM 1216 CB GLU A 80 5.498 4.343 9.985 1.00 74.14 C ATOM 1217 CG GLU A 80 6.509 5.489 10.126 1.00 50.12 C ATOM 1218 CD GLU A 80 7.909 4.982 10.488 1.00 30.14 C ATOM 1219 OE1 GLU A 80 8.020 4.043 11.316 1.00 50.42 O ATOM 1220 OE2 GLU A 80 8.906 5.484 9.932 1.00 23.30 O ATOM 0 H GLU A 80 3.269 5.275 11.005 1.00 72.21 H new ATOM 0 HA GLU A 80 4.528 5.313 8.352 1.00 31.03 H new ATOM 0 HB2 GLU A 80 5.228 3.982 10.977 1.00 74.14 H new ATOM 0 HB3 GLU A 80 5.972 3.512 9.462 1.00 74.14 H new ATOM 0 HG2 GLU A 80 6.557 6.047 9.191 1.00 50.12 H new ATOM 0 HG3 GLU A 80 6.165 6.182 10.894 1.00 50.12 H new ATOM 1227 N LEU A 81 2.976 3.526 7.549 1.00 73.23 N ATOM 1228 CA LEU A 81 2.515 2.352 6.818 1.00 75.03 C ATOM 1229 C LEU A 81 3.752 1.581 6.365 1.00 33.11 C ATOM 1230 O LEU A 81 4.656 2.177 5.780 1.00 13.34 O ATOM 1231 CB LEU A 81 1.704 2.846 5.610 1.00 4.54 C ATOM 1232 CG LEU A 81 1.257 1.767 4.607 1.00 0.44 C ATOM 1233 CD1 LEU A 81 0.168 0.869 5.197 1.00 63.12 C ATOM 1234 CD2 LEU A 81 0.720 2.456 3.348 1.00 41.44 C ATOM 0 H LEU A 81 2.907 4.386 7.005 1.00 73.23 H new ATOM 0 HA LEU A 81 1.888 1.701 7.427 1.00 75.03 H new ATOM 0 HB2 LEU A 81 0.816 3.360 5.980 1.00 4.54 H new ATOM 0 HB3 LEU A 81 2.301 3.585 5.075 1.00 4.54 H new ATOM 0 HG LEU A 81 2.116 1.140 4.367 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -0.123 0.119 4.461 1.00 63.12 H new ATOM 0 HD12 LEU A 81 0.549 0.373 6.089 1.00 63.12 H new ATOM 0 HD13 LEU A 81 -0.699 1.474 5.461 1.00 63.12 H new ATOM 0 HD21 LEU A 81 0.400 1.702 2.629 1.00 41.44 H new ATOM 0 HD22 LEU A 81 -0.128 3.088 3.613 1.00 41.44 H new ATOM 0 HD23 LEU A 81 1.505 3.069 2.906 1.00 41.44 H new ATOM 1246 N LYS A 82 3.842 0.279 6.625 1.00 53.54 N ATOM 1247 CA LYS A 82 4.964 -0.551 6.190 1.00 23.13 C ATOM 1248 C LYS A 82 4.505 -1.987 6.007 1.00 72.40 C ATOM 1249 O LYS A 82 3.493 -2.400 6.577 1.00 1.35 O ATOM 1250 CB LYS A 82 6.150 -0.420 7.164 1.00 74.22 C ATOM 1251 CG LYS A 82 5.780 -0.484 8.658 1.00 33.34 C ATOM 1252 CD LYS A 82 6.815 0.264 9.504 1.00 30.44 C ATOM 1253 CE LYS A 82 6.153 0.790 10.777 1.00 50.42 C ATOM 1254 NZ LYS A 82 7.093 1.487 11.671 1.00 42.23 N ATOM 0 H LYS A 82 3.133 -0.235 7.148 1.00 53.54 H new ATOM 0 HA LYS A 82 5.322 -0.201 5.222 1.00 23.13 H new ATOM 0 HB2 LYS A 82 6.866 -1.213 6.949 1.00 74.22 H new ATOM 0 HB3 LYS A 82 6.655 0.526 6.971 1.00 74.22 H new ATOM 0 HG2 LYS A 82 4.793 -0.048 8.812 1.00 33.34 H new ATOM 0 HG3 LYS A 82 5.723 -1.524 8.980 1.00 33.34 H new ATOM 0 HD2 LYS A 82 7.640 -0.401 9.759 1.00 30.44 H new ATOM 0 HD3 LYS A 82 7.237 1.091 8.933 1.00 30.44 H new ATOM 0 HE2 LYS A 82 5.346 1.471 10.505 1.00 50.42 H new ATOM 0 HE3 LYS A 82 5.699 -0.043 11.314 1.00 50.42 H new ATOM 0 HZ1 LYS A 82 6.713 1.491 12.639 1.00 42.23 H new ATOM 0 HZ2 LYS A 82 8.010 0.997 11.661 1.00 42.23 H new ATOM 0 HZ3 LYS A 82 7.220 2.466 11.345 1.00 42.23 H new ATOM 1268 N VAL A 83 5.232 -2.723 5.169 1.00 2.23 N ATOM 1269 CA VAL A 83 4.752 -3.981 4.617 1.00 4.54 C ATOM 1270 C VAL A 83 5.924 -4.817 4.114 1.00 75.43 C ATOM 1271 O VAL A 83 6.849 -4.257 3.510 1.00 74.21 O ATOM 1272 CB VAL A 83 3.666 -3.691 3.550 1.00 23.45 C ATOM 1273 CG1 VAL A 83 4.010 -2.558 2.585 1.00 61.03 C ATOM 1274 CG2 VAL A 83 3.346 -4.893 2.654 1.00 43.40 C ATOM 0 H VAL A 83 6.167 -2.462 4.856 1.00 2.23 H new ATOM 0 HA VAL A 83 4.273 -4.587 5.386 1.00 4.54 H new ATOM 0 HB VAL A 83 2.816 -3.419 4.176 1.00 23.45 H new ATOM 0 HG11 VAL A 83 3.194 -2.425 1.874 1.00 61.03 H new ATOM 0 HG12 VAL A 83 4.157 -1.635 3.145 1.00 61.03 H new ATOM 0 HG13 VAL A 83 4.925 -2.804 2.046 1.00 61.03 H new ATOM 0 HG21 VAL A 83 2.578 -4.615 1.932 1.00 43.40 H new ATOM 0 HG22 VAL A 83 4.247 -5.202 2.124 1.00 43.40 H new ATOM 0 HG23 VAL A 83 2.985 -5.718 3.268 1.00 43.40 H new ATOM 1284 N ILE A 84 5.906 -6.133 4.386 1.00 41.22 N ATOM 1285 CA ILE A 84 7.020 -7.035 4.112 1.00 51.30 C ATOM 1286 C ILE A 84 6.495 -8.338 3.500 1.00 15.33 C ATOM 1287 O ILE A 84 5.887 -9.168 4.176 1.00 31.02 O ATOM 1288 CB ILE A 84 7.847 -7.273 5.392 1.00 61.01 C ATOM 1289 CG1 ILE A 84 8.323 -5.957 6.049 1.00 52.40 C ATOM 1290 CG2 ILE A 84 9.077 -8.133 5.034 1.00 53.12 C ATOM 1291 CD1 ILE A 84 7.400 -5.394 7.140 1.00 52.50 C ATOM 0 H ILE A 84 5.103 -6.599 4.808 1.00 41.22 H new ATOM 0 HA ILE A 84 7.691 -6.580 3.384 1.00 51.30 H new ATOM 0 HB ILE A 84 7.204 -7.780 6.112 1.00 61.01 H new ATOM 0 HG12 ILE A 84 9.310 -6.123 6.482 1.00 52.40 H new ATOM 0 HG13 ILE A 84 8.439 -5.203 5.270 1.00 52.40 H new ATOM 0 HG21 ILE A 84 9.671 -8.309 5.931 1.00 53.12 H new ATOM 0 HG22 ILE A 84 8.747 -9.088 4.624 1.00 53.12 H new ATOM 0 HG23 ILE A 84 9.683 -7.611 4.294 1.00 53.12 H new ATOM 0 HD11 ILE A 84 7.825 -4.471 7.535 1.00 52.50 H new ATOM 0 HD12 ILE A 84 6.418 -5.188 6.715 1.00 52.50 H new ATOM 0 HD13 ILE A 84 7.302 -6.122 7.945 1.00 52.50 H new ATOM 1303 N ILE A 85 6.709 -8.501 2.195 1.00 60.43 N ATOM 1304 CA ILE A 85 6.261 -9.625 1.374 1.00 31.34 C ATOM 1305 C ILE A 85 7.214 -10.819 1.599 1.00 35.25 C ATOM 1306 O ILE A 85 8.419 -10.615 1.730 1.00 4.55 O ATOM 1307 CB ILE A 85 6.239 -9.131 -0.094 1.00 54.02 C ATOM 1308 CG1 ILE A 85 5.377 -7.862 -0.275 1.00 62.14 C ATOM 1309 CG2 ILE A 85 5.757 -10.229 -1.056 1.00 44.14 C ATOM 1310 CD1 ILE A 85 5.367 -7.304 -1.699 1.00 55.14 C ATOM 0 H ILE A 85 7.230 -7.813 1.651 1.00 60.43 H new ATOM 0 HA ILE A 85 5.262 -9.971 1.638 1.00 31.34 H new ATOM 0 HB ILE A 85 7.270 -8.877 -0.340 1.00 54.02 H new ATOM 0 HG12 ILE A 85 4.353 -8.088 0.021 1.00 62.14 H new ATOM 0 HG13 ILE A 85 5.742 -7.090 0.402 1.00 62.14 H new ATOM 0 HG21 ILE A 85 5.755 -9.844 -2.076 1.00 44.14 H new ATOM 0 HG22 ILE A 85 6.426 -11.087 -0.993 1.00 44.14 H new ATOM 0 HG23 ILE A 85 4.747 -10.535 -0.782 1.00 44.14 H new ATOM 0 HD11 ILE A 85 4.738 -6.414 -1.737 1.00 55.14 H new ATOM 0 HD12 ILE A 85 6.383 -7.043 -1.995 1.00 55.14 H new ATOM 0 HD13 ILE A 85 4.972 -8.056 -2.382 1.00 55.14 H new ATOM 1322 N ASN A 86 6.689 -12.051 1.662 1.00 71.34 N ATOM 1323 CA ASN A 86 7.452 -13.308 1.786 1.00 23.32 C ATOM 1324 C ASN A 86 7.882 -13.841 0.415 1.00 51.52 C ATOM 1325 O ASN A 86 7.319 -13.459 -0.609 1.00 44.34 O ATOM 1326 CB ASN A 86 6.585 -14.428 2.404 1.00 55.54 C ATOM 1327 CG ASN A 86 6.249 -14.339 3.883 1.00 54.44 C ATOM 1328 OD1 ASN A 86 5.639 -15.259 4.411 1.00 73.41 O ATOM 1329 ND2 ASN A 86 6.628 -13.281 4.584 1.00 15.22 N ATOM 0 H ASN A 86 5.682 -12.209 1.627 1.00 71.34 H new ATOM 0 HA ASN A 86 8.313 -13.070 2.411 1.00 23.32 H new ATOM 0 HB2 ASN A 86 5.647 -14.467 1.851 1.00 55.54 H new ATOM 0 HB3 ASN A 86 7.095 -15.376 2.234 1.00 55.54 H new ATOM 0 HD21 ASN A 86 6.412 -13.225 5.579 1.00 15.22 H new ATOM 0 HD22 ASN A 86 7.136 -12.523 4.129 1.00 15.22 H new ATOM 1336 N ARG A 87 8.793 -14.821 0.404 1.00 0.43 N ATOM 1337 CA ARG A 87 9.215 -15.555 -0.786 1.00 32.35 C ATOM 1338 C ARG A 87 8.089 -16.449 -1.313 1.00 64.30 C ATOM 1339 O ARG A 87 7.444 -17.181 -0.555 1.00 63.11 O ATOM 1340 CB ARG A 87 10.533 -16.287 -0.464 1.00 41.30 C ATOM 1341 CG ARG A 87 10.999 -17.284 -1.530 1.00 35.34 C ATOM 1342 CD ARG A 87 10.383 -18.688 -1.407 1.00 41.42 C ATOM 1343 NE ARG A 87 11.397 -19.725 -1.177 1.00 73.53 N ATOM 1344 CZ ARG A 87 11.186 -21.047 -1.166 1.00 2.34 C ATOM 1345 NH1 ARG A 87 9.965 -21.553 -1.020 1.00 3.05 N ATOM 1346 NH2 ARG A 87 12.224 -21.855 -1.307 1.00 11.34 N ATOM 0 H ARG A 87 9.269 -15.132 1.251 1.00 0.43 H new ATOM 0 HA ARG A 87 9.421 -14.877 -1.614 1.00 32.35 H new ATOM 0 HB2 ARG A 87 11.317 -15.544 -0.316 1.00 41.30 H new ATOM 0 HB3 ARG A 87 10.415 -16.818 0.481 1.00 41.30 H new ATOM 0 HG2 ARG A 87 10.760 -16.882 -2.514 1.00 35.34 H new ATOM 0 HG3 ARG A 87 12.084 -17.372 -1.477 1.00 35.34 H new ATOM 0 HD2 ARG A 87 9.666 -18.697 -0.586 1.00 41.42 H new ATOM 0 HD3 ARG A 87 9.829 -18.920 -2.317 1.00 41.42 H new ATOM 0 HE ARG A 87 12.352 -19.408 -1.010 1.00 73.53 H new ATOM 0 HH11 ARG A 87 9.164 -20.930 -0.913 1.00 3.05 H new ATOM 0 HH12 ARG A 87 9.829 -22.564 -1.015 1.00 3.05 H new ATOM 0 HH21 ARG A 87 13.160 -21.467 -1.421 1.00 11.34 H new ATOM 0 HH22 ARG A 87 12.088 -22.866 -1.302 1.00 11.34 H new ATOM 1360 N ASN A 88 7.897 -16.408 -2.629 1.00 11.25 N ATOM 1361 CA ASN A 88 6.905 -17.145 -3.391 1.00 61.33 C ATOM 1362 C ASN A 88 7.369 -18.571 -3.615 1.00 51.34 C ATOM 1363 O ASN A 88 8.482 -18.769 -4.097 1.00 0.11 O ATOM 1364 CB ASN A 88 6.692 -16.495 -4.769 1.00 51.31 C ATOM 1365 CG ASN A 88 5.518 -17.075 -5.546 1.00 23.31 C ATOM 1366 OD1 ASN A 88 4.743 -17.886 -5.048 1.00 12.32 O ATOM 1367 ND2 ASN A 88 5.324 -16.611 -6.767 1.00 0.12 N ATOM 0 H ASN A 88 8.473 -15.816 -3.228 1.00 11.25 H new ATOM 0 HA ASN A 88 5.974 -17.134 -2.824 1.00 61.33 H new ATOM 0 HB2 ASN A 88 6.534 -15.425 -4.635 1.00 51.31 H new ATOM 0 HB3 ASN A 88 7.600 -16.612 -5.360 1.00 51.31 H new ATOM 0 HD21 ASN A 88 4.521 -16.926 -7.311 1.00 0.12 H new ATOM 0 HD22 ASN A 88 5.977 -15.937 -7.166 1.00 0.12 H new ATOM 1374 N GLU A 89 6.529 -19.552 -3.306 1.00 71.50 N ATOM 1375 CA GLU A 89 6.861 -20.970 -3.411 1.00 72.44 C ATOM 1376 C GLU A 89 6.087 -21.682 -4.525 1.00 1.24 C ATOM 1377 O GLU A 89 6.130 -22.916 -4.579 1.00 71.31 O ATOM 1378 CB GLU A 89 6.673 -21.649 -2.048 1.00 13.22 C ATOM 1379 CG GLU A 89 5.201 -21.725 -1.629 1.00 62.21 C ATOM 1380 CD GLU A 89 5.047 -22.176 -0.183 1.00 23.11 C ATOM 1381 OE1 GLU A 89 5.512 -21.425 0.714 1.00 33.11 O ATOM 1382 OE2 GLU A 89 4.391 -23.201 0.072 1.00 35.42 O ATOM 0 H GLU A 89 5.581 -19.382 -2.969 1.00 71.50 H new ATOM 0 HA GLU A 89 7.910 -21.048 -3.697 1.00 72.44 H new ATOM 0 HB2 GLU A 89 7.089 -22.656 -2.087 1.00 13.22 H new ATOM 0 HB3 GLU A 89 7.235 -21.101 -1.292 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.736 -20.747 -1.756 1.00 62.21 H new ATOM 0 HG3 GLU A 89 4.672 -22.417 -2.284 1.00 62.21 H new ATOM 1389 N THR A 90 5.369 -20.961 -5.392 1.00 61.10 N ATOM 1390 CA THR A 90 4.709 -21.563 -6.543 1.00 75.54 C ATOM 1391 C THR A 90 5.105 -20.850 -7.841 1.00 1.35 C ATOM 1392 O THR A 90 5.659 -19.747 -7.852 1.00 3.41 O ATOM 1393 CB THR A 90 3.187 -21.678 -6.313 1.00 75.21 C ATOM 1394 OG1 THR A 90 2.566 -20.439 -6.040 1.00 44.41 O ATOM 1395 CG2 THR A 90 2.840 -22.616 -5.155 1.00 33.11 C ATOM 0 H THR A 90 5.233 -19.953 -5.313 1.00 61.10 H new ATOM 0 HA THR A 90 5.059 -22.588 -6.661 1.00 75.54 H new ATOM 0 HB THR A 90 2.811 -22.076 -7.255 1.00 75.21 H new ATOM 0 HG1 THR A 90 1.605 -20.577 -5.906 1.00 44.41 H new ATOM 0 HG21 THR A 90 1.758 -22.661 -5.035 1.00 33.11 H new ATOM 0 HG22 THR A 90 3.224 -23.614 -5.367 1.00 33.11 H new ATOM 0 HG23 THR A 90 3.291 -22.242 -4.236 1.00 33.11 H new ATOM 1403 N ASN A 91 4.841 -21.529 -8.954 1.00 71.12 N ATOM 1404 CA ASN A 91 5.331 -21.206 -10.289 1.00 60.43 C ATOM 1405 C ASN A 91 4.597 -20.069 -10.993 1.00 15.31 C ATOM 1406 O ASN A 91 4.961 -19.764 -12.129 1.00 22.31 O ATOM 1407 CB ASN A 91 5.290 -22.456 -11.175 1.00 72.13 C ATOM 1408 CG ASN A 91 3.884 -23.021 -11.219 1.00 22.15 C ATOM 1409 OD1 ASN A 91 2.950 -22.450 -11.778 1.00 3.14 O ATOM 1410 ND2 ASN A 91 3.669 -24.083 -10.468 1.00 44.31 N ATOM 0 H ASN A 91 4.250 -22.360 -8.948 1.00 71.12 H new ATOM 0 HA ASN A 91 6.351 -20.853 -10.139 1.00 60.43 H new ATOM 0 HB2 ASN A 91 5.621 -22.207 -12.183 1.00 72.13 H new ATOM 0 HB3 ASN A 91 5.980 -23.207 -10.789 1.00 72.13 H new ATOM 0 HD21 ASN A 91 2.721 -24.438 -10.346 1.00 44.31 H new ATOM 0 HD22 ASN A 91 4.451 -24.550 -10.009 1.00 44.31 H new ATOM 1417 N ALA A 92 3.612 -19.424 -10.362 1.00 42.40 N ATOM 1418 CA ALA A 92 2.911 -18.288 -10.946 1.00 33.43 C ATOM 1419 C ALA A 92 3.268 -17.019 -10.180 1.00 22.34 C ATOM 1420 O ALA A 92 3.472 -17.062 -8.964 1.00 15.21 O ATOM 1421 CB ALA A 92 1.399 -18.526 -10.919 1.00 35.31 C ATOM 0 H ALA A 92 3.281 -19.679 -9.431 1.00 42.40 H new ATOM 0 HA ALA A 92 3.218 -18.172 -11.985 1.00 33.43 H new ATOM 0 HB1 ALA A 92 0.888 -17.669 -11.358 1.00 35.31 H new ATOM 0 HB2 ALA A 92 1.162 -19.423 -11.491 1.00 35.31 H new ATOM 0 HB3 ALA A 92 1.069 -18.656 -9.888 1.00 35.31 H new ATOM 1427 N SER A 93 3.345 -15.891 -10.881 1.00 35.22 N ATOM 1428 CA SER A 93 3.424 -14.569 -10.332 1.00 43.41 C ATOM 1429 C SER A 93 2.021 -14.155 -9.888 1.00 63.23 C ATOM 1430 O SER A 93 1.035 -14.549 -10.515 1.00 64.42 O ATOM 1431 CB SER A 93 3.906 -13.652 -11.453 1.00 63.23 C ATOM 1432 OG SER A 93 4.852 -14.252 -12.338 1.00 64.31 O ATOM 0 H SER A 93 3.353 -15.891 -11.901 1.00 35.22 H new ATOM 0 HA SER A 93 4.101 -14.517 -9.480 1.00 43.41 H new ATOM 0 HB2 SER A 93 3.044 -13.321 -12.032 1.00 63.23 H new ATOM 0 HB3 SER A 93 4.354 -12.762 -11.011 1.00 63.23 H new ATOM 0 HG SER A 93 5.111 -13.605 -13.027 1.00 64.31 H new ATOM 1438 N ARG A 94 1.920 -13.342 -8.843 1.00 64.22 N ATOM 1439 CA ARG A 94 0.655 -12.870 -8.293 1.00 44.10 C ATOM 1440 C ARG A 94 0.812 -11.444 -7.792 1.00 11.21 C ATOM 1441 O ARG A 94 1.933 -10.984 -7.571 1.00 34.34 O ATOM 1442 CB ARG A 94 0.183 -13.796 -7.166 1.00 62.33 C ATOM 1443 CG ARG A 94 1.282 -14.320 -6.226 1.00 71.42 C ATOM 1444 CD ARG A 94 1.934 -15.614 -6.732 1.00 32.45 C ATOM 1445 NE ARG A 94 2.192 -16.569 -5.646 1.00 44.22 N ATOM 1446 CZ ARG A 94 1.310 -17.398 -5.081 1.00 14.45 C ATOM 1447 NH1 ARG A 94 0.047 -17.466 -5.501 1.00 2.31 N ATOM 1448 NH2 ARG A 94 1.705 -18.162 -4.071 1.00 24.53 N ATOM 0 H ARG A 94 2.734 -12.985 -8.343 1.00 64.22 H new ATOM 0 HA ARG A 94 -0.102 -12.882 -9.078 1.00 44.10 H new ATOM 0 HB2 ARG A 94 -0.556 -13.262 -6.568 1.00 62.33 H new ATOM 0 HB3 ARG A 94 -0.325 -14.651 -7.612 1.00 62.33 H new ATOM 0 HG2 ARG A 94 2.049 -13.554 -6.110 1.00 71.42 H new ATOM 0 HG3 ARG A 94 0.855 -14.496 -5.239 1.00 71.42 H new ATOM 0 HD2 ARG A 94 1.286 -16.078 -7.475 1.00 32.45 H new ATOM 0 HD3 ARG A 94 2.872 -15.374 -7.233 1.00 32.45 H new ATOM 0 HE ARG A 94 3.145 -16.603 -5.285 1.00 44.22 H new ATOM 0 HH11 ARG A 94 -0.267 -16.876 -6.272 1.00 2.31 H new ATOM 0 HH12 ARG A 94 -0.606 -18.108 -5.052 1.00 2.31 H new ATOM 0 HH21 ARG A 94 2.668 -18.110 -3.739 1.00 24.53 H new ATOM 0 HH22 ARG A 94 1.046 -18.801 -3.627 1.00 24.53 H new ATOM 1462 N SER A 95 -0.289 -10.741 -7.564 1.00 3.25 N ATOM 1463 CA SER A 95 -0.264 -9.316 -7.279 1.00 1.15 C ATOM 1464 C SER A 95 -1.112 -8.990 -6.054 1.00 41.20 C ATOM 1465 O SER A 95 -1.927 -9.794 -5.589 1.00 62.53 O ATOM 1466 CB SER A 95 -0.702 -8.547 -8.527 1.00 40.44 C ATOM 1467 OG SER A 95 -1.813 -9.172 -9.131 1.00 32.12 O ATOM 0 H SER A 95 -1.226 -11.145 -7.572 1.00 3.25 H new ATOM 0 HA SER A 95 0.751 -9.004 -7.033 1.00 1.15 H new ATOM 0 HB2 SER A 95 -0.956 -7.522 -8.258 1.00 40.44 H new ATOM 0 HB3 SER A 95 0.123 -8.495 -9.237 1.00 40.44 H new ATOM 0 HG SER A 95 -2.081 -8.666 -9.926 1.00 32.12 H new ATOM 1473 N PHE A 96 -0.914 -7.782 -5.547 1.00 40.00 N ATOM 1474 CA PHE A 96 -1.557 -7.205 -4.391 1.00 34.41 C ATOM 1475 C PHE A 96 -1.942 -5.763 -4.690 1.00 11.31 C ATOM 1476 O PHE A 96 -1.396 -5.115 -5.591 1.00 53.31 O ATOM 1477 CB PHE A 96 -0.597 -7.232 -3.188 1.00 61.20 C ATOM 1478 CG PHE A 96 -1.009 -8.203 -2.112 1.00 22.33 C ATOM 1479 CD1 PHE A 96 -1.911 -7.800 -1.111 1.00 2.23 C ATOM 1480 CD2 PHE A 96 -0.486 -9.507 -2.111 1.00 13.43 C ATOM 1481 CE1 PHE A 96 -2.317 -8.711 -0.123 1.00 60.43 C ATOM 1482 CE2 PHE A 96 -0.913 -10.423 -1.131 1.00 4.32 C ATOM 1483 CZ PHE A 96 -1.832 -10.032 -0.142 1.00 0.41 C ATOM 0 H PHE A 96 -0.248 -7.136 -5.970 1.00 40.00 H new ATOM 0 HA PHE A 96 -2.450 -7.784 -4.155 1.00 34.41 H new ATOM 0 HB2 PHE A 96 0.403 -7.491 -3.537 1.00 61.20 H new ATOM 0 HB3 PHE A 96 -0.536 -6.232 -2.760 1.00 61.20 H new ATOM 0 HD1 PHE A 96 -2.291 -6.789 -1.102 1.00 2.23 H new ATOM 0 HD2 PHE A 96 0.237 -9.804 -2.856 1.00 13.43 H new ATOM 0 HE1 PHE A 96 -3.001 -8.398 0.652 1.00 60.43 H new ATOM 0 HE2 PHE A 96 -0.532 -11.433 -1.139 1.00 4.32 H new ATOM 0 HZ PHE A 96 -2.165 -10.742 0.600 1.00 0.41 H new ATOM 1493 N THR A 97 -2.814 -5.202 -3.861 1.00 21.51 N ATOM 1494 CA THR A 97 -2.976 -3.761 -3.724 1.00 62.13 C ATOM 1495 C THR A 97 -3.284 -3.470 -2.263 1.00 23.53 C ATOM 1496 O THR A 97 -3.966 -4.267 -1.611 1.00 64.32 O ATOM 1497 CB THR A 97 -4.082 -3.259 -4.665 1.00 72.13 C ATOM 1498 OG1 THR A 97 -3.785 -3.660 -5.988 1.00 23.52 O ATOM 1499 CG2 THR A 97 -4.293 -1.750 -4.662 1.00 53.01 C ATOM 0 H THR A 97 -3.435 -5.742 -3.258 1.00 21.51 H new ATOM 0 HA THR A 97 -2.066 -3.232 -4.009 1.00 62.13 H new ATOM 0 HB THR A 97 -5.005 -3.702 -4.290 1.00 72.13 H new ATOM 0 HG1 THR A 97 -4.295 -3.110 -6.619 1.00 23.52 H new ATOM 0 HG21 THR A 97 -5.093 -1.493 -5.356 1.00 53.01 H new ATOM 0 HG22 THR A 97 -4.565 -1.423 -3.658 1.00 53.01 H new ATOM 0 HG23 THR A 97 -3.373 -1.253 -4.969 1.00 53.01 H new ATOM 1507 N VAL A 98 -2.779 -2.338 -1.784 1.00 54.10 N ATOM 1508 CA VAL A 98 -3.168 -1.691 -0.548 1.00 31.03 C ATOM 1509 C VAL A 98 -3.849 -0.379 -0.961 1.00 22.14 C ATOM 1510 O VAL A 98 -3.333 0.337 -1.821 1.00 35.11 O ATOM 1511 CB VAL A 98 -1.926 -1.483 0.358 1.00 62.23 C ATOM 1512 CG1 VAL A 98 -1.355 -2.804 0.894 1.00 22.22 C ATOM 1513 CG2 VAL A 98 -0.779 -0.779 -0.373 1.00 15.45 C ATOM 0 H VAL A 98 -2.049 -1.825 -2.278 1.00 54.10 H new ATOM 0 HA VAL A 98 -3.858 -2.289 0.046 1.00 31.03 H new ATOM 0 HB VAL A 98 -2.295 -0.867 1.178 1.00 62.23 H new ATOM 0 HG11 VAL A 98 -0.488 -2.598 1.521 1.00 22.22 H new ATOM 0 HG12 VAL A 98 -2.115 -3.317 1.483 1.00 22.22 H new ATOM 0 HG13 VAL A 98 -1.056 -3.437 0.058 1.00 22.22 H new ATOM 0 HG21 VAL A 98 0.065 -0.658 0.306 1.00 15.45 H new ATOM 0 HG22 VAL A 98 -0.472 -1.378 -1.231 1.00 15.45 H new ATOM 0 HG23 VAL A 98 -1.113 0.201 -0.715 1.00 15.45 H new ATOM 1523 N CYS A 99 -4.998 -0.052 -0.372 1.00 23.35 N ATOM 1524 CA CYS A 99 -5.661 1.238 -0.524 1.00 75.42 C ATOM 1525 C CYS A 99 -5.874 1.830 0.870 1.00 61.01 C ATOM 1526 O CYS A 99 -6.347 1.109 1.761 1.00 40.10 O ATOM 1527 CB CYS A 99 -7.011 1.070 -1.231 1.00 13.23 C ATOM 1528 SG CYS A 99 -6.944 0.029 -2.720 1.00 33.22 S ATOM 0 H CYS A 99 -5.504 -0.693 0.238 1.00 23.35 H new ATOM 0 HA CYS A 99 -5.044 1.901 -1.130 1.00 75.42 H new ATOM 0 HB2 CYS A 99 -7.725 0.637 -0.530 1.00 13.23 H new ATOM 0 HB3 CYS A 99 -7.390 2.054 -1.506 1.00 13.23 H new ATOM 0 HG CYS A 99 -7.075 0.775 -3.777 1.00 33.22 H new ATOM 1534 N VAL A 100 -5.524 3.097 1.083 1.00 53.11 N ATOM 1535 CA VAL A 100 -5.699 3.785 2.365 1.00 20.45 C ATOM 1536 C VAL A 100 -6.522 5.059 2.172 1.00 42.14 C ATOM 1537 O VAL A 100 -6.615 5.541 1.044 1.00 74.30 O ATOM 1538 CB VAL A 100 -4.334 4.052 3.044 1.00 43.20 C ATOM 1539 CG1 VAL A 100 -3.626 2.740 3.419 1.00 60.31 C ATOM 1540 CG2 VAL A 100 -3.370 4.895 2.192 1.00 40.50 C ATOM 0 H VAL A 100 -5.105 3.684 0.362 1.00 53.11 H new ATOM 0 HA VAL A 100 -6.257 3.139 3.043 1.00 20.45 H new ATOM 0 HB VAL A 100 -4.580 4.623 3.939 1.00 43.20 H new ATOM 0 HG11 VAL A 100 -2.671 2.965 3.894 1.00 60.31 H new ATOM 0 HG12 VAL A 100 -4.250 2.174 4.110 1.00 60.31 H new ATOM 0 HG13 VAL A 100 -3.454 2.149 2.519 1.00 60.31 H new ATOM 0 HG21 VAL A 100 -2.436 5.039 2.735 1.00 40.50 H new ATOM 0 HG22 VAL A 100 -3.168 4.379 1.253 1.00 40.50 H new ATOM 0 HG23 VAL A 100 -3.822 5.865 1.983 1.00 40.50 H new ATOM 1550 N GLU A 101 -7.128 5.606 3.229 1.00 42.44 N ATOM 1551 CA GLU A 101 -7.844 6.888 3.209 1.00 54.52 C ATOM 1552 C GLU A 101 -7.439 7.706 4.439 1.00 20.31 C ATOM 1553 O GLU A 101 -7.262 7.130 5.518 1.00 73.03 O ATOM 1554 CB GLU A 101 -9.363 6.639 3.170 1.00 73.44 C ATOM 1555 CG GLU A 101 -10.216 7.886 2.892 1.00 61.02 C ATOM 1556 CD GLU A 101 -11.640 7.718 3.428 1.00 20.41 C ATOM 1557 OE1 GLU A 101 -12.408 6.881 2.909 1.00 32.15 O ATOM 1558 OE2 GLU A 101 -11.978 8.431 4.414 1.00 71.43 O ATOM 0 H GLU A 101 -7.136 5.160 4.146 1.00 42.44 H new ATOM 0 HA GLU A 101 -7.579 7.453 2.315 1.00 54.52 H new ATOM 0 HB2 GLU A 101 -9.575 5.894 2.403 1.00 73.44 H new ATOM 0 HB3 GLU A 101 -9.671 6.211 4.124 1.00 73.44 H new ATOM 0 HG2 GLU A 101 -9.752 8.757 3.354 1.00 61.02 H new ATOM 0 HG3 GLU A 101 -10.249 8.074 1.819 1.00 61.02 H new ATOM 1565 N ALA A 102 -7.286 9.023 4.264 1.00 61.42 N ATOM 1566 CA ALA A 102 -6.832 10.005 5.234 1.00 14.31 C ATOM 1567 C ALA A 102 -7.629 11.310 5.066 1.00 11.24 C ATOM 1568 O ALA A 102 -7.200 12.236 4.375 1.00 3.24 O ATOM 1569 CB ALA A 102 -5.330 10.254 5.038 1.00 24.24 C ATOM 0 H ALA A 102 -7.496 9.457 3.365 1.00 61.42 H new ATOM 0 HA ALA A 102 -6.997 9.631 6.244 1.00 14.31 H new ATOM 0 HB1 ALA A 102 -4.985 10.990 5.764 1.00 24.24 H new ATOM 0 HB2 ALA A 102 -4.785 9.321 5.181 1.00 24.24 H new ATOM 0 HB3 ALA A 102 -5.152 10.628 4.030 1.00 24.24 H new ATOM 1575 N GLY A 103 -8.795 11.401 5.702 1.00 53.51 N ATOM 1576 CA GLY A 103 -9.588 12.620 5.766 1.00 40.23 C ATOM 1577 C GLY A 103 -10.106 12.978 4.379 1.00 3.31 C ATOM 1578 O GLY A 103 -10.972 12.281 3.847 1.00 20.11 O ATOM 0 H GLY A 103 -9.220 10.615 6.194 1.00 53.51 H new ATOM 0 HA2 GLY A 103 -10.424 12.484 6.452 1.00 40.23 H new ATOM 0 HA3 GLY A 103 -8.983 13.437 6.159 1.00 40.23 H new ATOM 1582 N ASN A 104 -9.607 14.062 3.782 1.00 32.22 N ATOM 1583 CA ASN A 104 -9.988 14.458 2.441 1.00 72.33 C ATOM 1584 C ASN A 104 -9.318 13.570 1.395 1.00 31.03 C ATOM 1585 O ASN A 104 -9.828 13.517 0.280 1.00 44.32 O ATOM 1586 CB ASN A 104 -9.619 15.924 2.174 1.00 75.32 C ATOM 1587 CG ASN A 104 -10.457 16.891 2.998 1.00 22.42 C ATOM 1588 OD1 ASN A 104 -10.170 17.084 4.176 1.00 33.32 O ATOM 1589 ND2 ASN A 104 -11.506 17.471 2.439 1.00 20.00 N ATOM 0 H ASN A 104 -8.928 14.684 4.221 1.00 32.22 H new ATOM 0 HA ASN A 104 -11.069 14.343 2.365 1.00 72.33 H new ATOM 0 HB2 ASN A 104 -8.564 16.078 2.400 1.00 75.32 H new ATOM 0 HB3 ASN A 104 -9.753 16.143 1.115 1.00 75.32 H new ATOM 0 HD21 ASN A 104 -12.097 18.095 2.989 1.00 20.00 H new ATOM 0 HD22 ASN A 104 -11.724 17.295 1.458 1.00 20.00 H new ATOM 1596 N ALA A 105 -8.204 12.904 1.715 1.00 71.14 N ATOM 1597 CA ALA A 105 -7.309 12.283 0.747 1.00 60.34 C ATOM 1598 C ALA A 105 -7.274 10.763 0.885 1.00 74.42 C ATOM 1599 O ALA A 105 -7.867 10.186 1.795 1.00 34.41 O ATOM 1600 CB ALA A 105 -5.910 12.887 0.928 1.00 1.53 C ATOM 0 H ALA A 105 -7.896 12.782 2.680 1.00 71.14 H new ATOM 0 HA ALA A 105 -7.678 12.486 -0.258 1.00 60.34 H new ATOM 0 HB1 ALA A 105 -5.223 12.435 0.212 1.00 1.53 H new ATOM 0 HB2 ALA A 105 -5.954 13.963 0.760 1.00 1.53 H new ATOM 0 HB3 ALA A 105 -5.558 12.692 1.941 1.00 1.53 H new ATOM 1606 N PHE A 106 -6.561 10.105 -0.027 1.00 42.34 N ATOM 1607 CA PHE A 106 -6.300 8.673 -0.028 1.00 34.01 C ATOM 1608 C PHE A 106 -5.057 8.400 -0.871 1.00 15.43 C ATOM 1609 O PHE A 106 -4.591 9.281 -1.601 1.00 4.21 O ATOM 1610 CB PHE A 106 -7.527 7.900 -0.556 1.00 42.54 C ATOM 1611 CG PHE A 106 -8.326 8.549 -1.662 1.00 3.43 C ATOM 1612 CD1 PHE A 106 -7.970 8.350 -3.007 1.00 51.02 C ATOM 1613 CD2 PHE A 106 -9.464 9.307 -1.334 1.00 0.15 C ATOM 1614 CE1 PHE A 106 -8.769 8.895 -4.027 1.00 44.33 C ATOM 1615 CE2 PHE A 106 -10.260 9.848 -2.357 1.00 72.52 C ATOM 1616 CZ PHE A 106 -9.918 9.637 -3.705 1.00 53.12 C ATOM 0 H PHE A 106 -6.131 10.581 -0.820 1.00 42.34 H new ATOM 0 HA PHE A 106 -6.118 8.327 0.989 1.00 34.01 H new ATOM 0 HB2 PHE A 106 -7.187 6.927 -0.911 1.00 42.54 H new ATOM 0 HB3 PHE A 106 -8.198 7.717 0.283 1.00 42.54 H new ATOM 0 HD1 PHE A 106 -7.086 7.781 -3.256 1.00 51.02 H new ATOM 0 HD2 PHE A 106 -9.725 9.473 -0.299 1.00 0.15 H new ATOM 0 HE1 PHE A 106 -8.499 8.743 -5.062 1.00 44.33 H new ATOM 0 HE2 PHE A 106 -11.137 10.427 -2.108 1.00 72.52 H new ATOM 0 HZ PHE A 106 -10.537 10.044 -4.491 1.00 53.12 H new ATOM 1626 N ASP A 107 -4.544 7.173 -0.814 1.00 4.14 N ATOM 1627 CA ASP A 107 -3.478 6.695 -1.689 1.00 15.43 C ATOM 1628 C ASP A 107 -3.725 5.214 -1.953 1.00 42.11 C ATOM 1629 O ASP A 107 -4.414 4.541 -1.181 1.00 35.42 O ATOM 1630 CB ASP A 107 -2.094 6.942 -1.066 1.00 23.44 C ATOM 1631 CG ASP A 107 -1.012 7.278 -2.102 1.00 60.42 C ATOM 1632 OD1 ASP A 107 -1.008 6.761 -3.248 1.00 1.03 O ATOM 1633 OD2 ASP A 107 -0.131 8.106 -1.769 1.00 0.41 O ATOM 0 H ASP A 107 -4.864 6.471 -0.146 1.00 4.14 H new ATOM 0 HA ASP A 107 -3.487 7.243 -2.631 1.00 15.43 H new ATOM 0 HB2 ASP A 107 -2.167 7.760 -0.349 1.00 23.44 H new ATOM 0 HB3 ASP A 107 -1.791 6.056 -0.509 1.00 23.44 H new ATOM 1638 N GLU A 108 -3.159 4.692 -3.034 1.00 11.43 N ATOM 1639 CA GLU A 108 -3.268 3.299 -3.424 1.00 51.20 C ATOM 1640 C GLU A 108 -1.911 2.885 -3.975 1.00 42.12 C ATOM 1641 O GLU A 108 -1.317 3.607 -4.788 1.00 22.22 O ATOM 1642 CB GLU A 108 -4.424 3.112 -4.431 1.00 15.35 C ATOM 1643 CG GLU A 108 -4.498 1.684 -5.002 1.00 71.12 C ATOM 1644 CD GLU A 108 -5.678 1.425 -5.955 1.00 64.24 C ATOM 1645 OE1 GLU A 108 -6.825 1.830 -5.681 1.00 31.14 O ATOM 1646 OE2 GLU A 108 -5.487 0.731 -6.983 1.00 52.41 O ATOM 0 H GLU A 108 -2.596 5.245 -3.680 1.00 11.43 H new ATOM 0 HA GLU A 108 -3.515 2.656 -2.579 1.00 51.20 H new ATOM 0 HB2 GLU A 108 -5.368 3.351 -3.941 1.00 15.35 H new ATOM 0 HB3 GLU A 108 -4.302 3.820 -5.251 1.00 15.35 H new ATOM 0 HG2 GLU A 108 -3.569 1.472 -5.532 1.00 71.12 H new ATOM 0 HG3 GLU A 108 -4.559 0.980 -4.172 1.00 71.12 H new ATOM 1653 N PHE A 109 -1.439 1.709 -3.571 1.00 31.25 N ATOM 1654 CA PHE A 109 -0.172 1.148 -4.019 1.00 15.03 C ATOM 1655 C PHE A 109 -0.370 -0.302 -4.425 1.00 15.44 C ATOM 1656 O PHE A 109 -1.081 -1.042 -3.741 1.00 1.34 O ATOM 1657 CB PHE A 109 0.876 1.221 -2.908 1.00 60.14 C ATOM 1658 CG PHE A 109 1.012 2.559 -2.221 1.00 15.24 C ATOM 1659 CD1 PHE A 109 1.404 3.679 -2.971 1.00 24.21 C ATOM 1660 CD2 PHE A 109 0.774 2.684 -0.837 1.00 21.24 C ATOM 1661 CE1 PHE A 109 1.548 4.920 -2.334 1.00 61.11 C ATOM 1662 CE2 PHE A 109 0.916 3.933 -0.207 1.00 64.24 C ATOM 1663 CZ PHE A 109 1.305 5.054 -0.957 1.00 15.43 C ATOM 0 H PHE A 109 -1.936 1.110 -2.912 1.00 31.25 H new ATOM 0 HA PHE A 109 0.179 1.729 -4.872 1.00 15.03 H new ATOM 0 HB2 PHE A 109 0.634 0.470 -2.156 1.00 60.14 H new ATOM 0 HB3 PHE A 109 1.844 0.950 -3.329 1.00 60.14 H new ATOM 0 HD1 PHE A 109 1.593 3.586 -4.030 1.00 24.21 H new ATOM 0 HD2 PHE A 109 0.482 1.819 -0.260 1.00 21.24 H new ATOM 0 HE1 PHE A 109 1.849 5.783 -2.909 1.00 61.11 H new ATOM 0 HE2 PHE A 109 0.726 4.030 0.852 1.00 64.24 H new ATOM 0 HZ PHE A 109 1.417 6.015 -0.477 1.00 15.43 H new ATOM 1673 N LYS A 110 0.305 -0.737 -5.486 1.00 32.25 N ATOM 1674 CA LYS A 110 0.218 -2.112 -5.974 1.00 1.02 C ATOM 1675 C LYS A 110 1.558 -2.780 -5.830 1.00 24.54 C ATOM 1676 O LYS A 110 2.581 -2.109 -5.894 1.00 73.11 O ATOM 1677 CB LYS A 110 -0.264 -2.153 -7.424 1.00 62.14 C ATOM 1678 CG LYS A 110 -1.616 -1.458 -7.510 1.00 20.41 C ATOM 1679 CD LYS A 110 -2.369 -1.761 -8.799 1.00 51.23 C ATOM 1680 CE LYS A 110 -3.707 -1.036 -8.711 1.00 1.04 C ATOM 1681 NZ LYS A 110 -3.552 0.424 -8.851 1.00 72.11 N ATOM 0 H LYS A 110 0.930 -0.145 -6.033 1.00 32.25 H new ATOM 0 HA LYS A 110 -0.514 -2.654 -5.375 1.00 1.02 H new ATOM 0 HB2 LYS A 110 0.457 -1.659 -8.076 1.00 62.14 H new ATOM 0 HB3 LYS A 110 -0.347 -3.185 -7.765 1.00 62.14 H new ATOM 0 HG2 LYS A 110 -2.227 -1.762 -6.660 1.00 20.41 H new ATOM 0 HG3 LYS A 110 -1.469 -0.381 -7.428 1.00 20.41 H new ATOM 0 HD2 LYS A 110 -1.802 -1.422 -9.666 1.00 51.23 H new ATOM 0 HD3 LYS A 110 -2.518 -2.834 -8.916 1.00 51.23 H new ATOM 0 HE2 LYS A 110 -4.373 -1.407 -9.490 1.00 1.04 H new ATOM 0 HE3 LYS A 110 -4.179 -1.261 -7.755 1.00 1.04 H new ATOM 0 HZ1 LYS A 110 -4.097 0.904 -8.107 1.00 72.11 H new ATOM 0 HZ2 LYS A 110 -2.547 0.677 -8.762 1.00 72.11 H new ATOM 0 HZ3 LYS A 110 -3.902 0.722 -9.784 1.00 72.11 H new ATOM 1695 N PHE A 111 1.558 -4.092 -5.648 1.00 22.55 N ATOM 1696 CA PHE A 111 2.762 -4.874 -5.425 1.00 13.31 C ATOM 1697 C PHE A 111 2.578 -6.153 -6.196 1.00 73.41 C ATOM 1698 O PHE A 111 1.569 -6.817 -5.979 1.00 73.23 O ATOM 1699 CB PHE A 111 2.915 -5.191 -3.930 1.00 40.34 C ATOM 1700 CG PHE A 111 3.347 -3.989 -3.119 1.00 42.43 C ATOM 1701 CD1 PHE A 111 2.409 -2.999 -2.774 1.00 0.33 C ATOM 1702 CD2 PHE A 111 4.700 -3.823 -2.767 1.00 2.42 C ATOM 1703 CE1 PHE A 111 2.832 -1.827 -2.128 1.00 21.53 C ATOM 1704 CE2 PHE A 111 5.107 -2.688 -2.046 1.00 11.12 C ATOM 1705 CZ PHE A 111 4.173 -1.683 -1.737 1.00 63.54 C ATOM 0 H PHE A 111 0.705 -4.652 -5.651 1.00 22.55 H new ATOM 0 HA PHE A 111 3.652 -4.332 -5.746 1.00 13.31 H new ATOM 0 HB2 PHE A 111 1.967 -5.563 -3.543 1.00 40.34 H new ATOM 0 HB3 PHE A 111 3.646 -5.990 -3.805 1.00 40.34 H new ATOM 0 HD1 PHE A 111 1.364 -3.141 -3.006 1.00 0.33 H new ATOM 0 HD2 PHE A 111 5.426 -4.570 -3.052 1.00 2.42 H new ATOM 0 HE1 PHE A 111 2.125 -1.035 -1.931 1.00 21.53 H new ATOM 0 HE2 PHE A 111 6.135 -2.587 -1.730 1.00 11.12 H new ATOM 0 HZ PHE A 111 4.487 -0.801 -1.199 1.00 63.54 H new ATOM 1715 N VAL A 112 3.478 -6.516 -7.108 1.00 35.32 N ATOM 1716 CA VAL A 112 3.306 -7.701 -7.882 1.00 22.35 C ATOM 1717 C VAL A 112 4.590 -8.503 -7.751 1.00 24.25 C ATOM 1718 O VAL A 112 5.686 -7.963 -7.900 1.00 62.32 O ATOM 1719 CB VAL A 112 2.884 -7.297 -9.287 1.00 4.31 C ATOM 1720 CG1 VAL A 112 1.820 -6.187 -9.355 1.00 34.43 C ATOM 1721 CG2 VAL A 112 3.987 -7.063 -10.293 1.00 42.34 C ATOM 0 H VAL A 112 4.329 -5.992 -7.315 1.00 35.32 H new ATOM 0 HA VAL A 112 2.508 -8.360 -7.541 1.00 22.35 H new ATOM 0 HB VAL A 112 2.406 -8.222 -9.610 1.00 4.31 H new ATOM 0 HG11 VAL A 112 1.586 -5.970 -10.397 1.00 34.43 H new ATOM 0 HG12 VAL A 112 0.917 -6.517 -8.842 1.00 34.43 H new ATOM 0 HG13 VAL A 112 2.202 -5.287 -8.874 1.00 34.43 H new ATOM 0 HG21 VAL A 112 3.551 -6.782 -11.252 1.00 42.34 H new ATOM 0 HG22 VAL A 112 4.637 -6.262 -9.941 1.00 42.34 H new ATOM 0 HG23 VAL A 112 4.569 -7.976 -10.413 1.00 42.34 H new ATOM 1731 N GLN A 113 4.430 -9.752 -7.338 1.00 60.32 N ATOM 1732 CA GLN A 113 5.487 -10.664 -6.974 1.00 62.41 C ATOM 1733 C GLN A 113 5.683 -11.639 -8.102 1.00 2.42 C ATOM 1734 O GLN A 113 4.717 -12.239 -8.584 1.00 53.24 O ATOM 1735 CB GLN A 113 5.132 -11.376 -5.656 1.00 74.43 C ATOM 1736 CG GLN A 113 6.036 -12.595 -5.416 1.00 4.45 C ATOM 1737 CD GLN A 113 6.135 -12.979 -3.952 1.00 1.23 C ATOM 1738 OE1 GLN A 113 5.238 -13.603 -3.403 1.00 21.31 O ATOM 1739 NE2 GLN A 113 7.246 -12.681 -3.307 1.00 40.11 N ATOM 0 H GLN A 113 3.505 -10.172 -7.245 1.00 60.32 H new ATOM 0 HA GLN A 113 6.421 -10.127 -6.810 1.00 62.41 H new ATOM 0 HB2 GLN A 113 5.232 -10.678 -4.825 1.00 74.43 H new ATOM 0 HB3 GLN A 113 4.090 -11.694 -5.682 1.00 74.43 H new ATOM 0 HG2 GLN A 113 5.652 -13.443 -5.983 1.00 4.45 H new ATOM 0 HG3 GLN A 113 7.034 -12.381 -5.798 1.00 4.45 H new ATOM 0 HE21 GLN A 113 7.985 -12.160 -3.778 1.00 40.11 H new ATOM 0 HE22 GLN A 113 7.366 -12.972 -2.337 1.00 40.11 H new ATOM 1748 N ASP A 114 6.942 -11.793 -8.488 1.00 21.11 N ATOM 1749 CA ASP A 114 7.219 -12.732 -9.577 1.00 32.53 C ATOM 1750 C ASP A 114 7.050 -14.200 -9.137 1.00 3.02 C ATOM 1751 O ASP A 114 6.942 -14.521 -7.950 1.00 2.01 O ATOM 1752 CB ASP A 114 8.603 -12.482 -10.159 1.00 51.24 C ATOM 1753 CG ASP A 114 8.710 -11.305 -11.139 1.00 51.32 C ATOM 1754 OD1 ASP A 114 7.687 -10.825 -11.670 1.00 34.34 O ATOM 1755 OD2 ASP A 114 9.873 -10.919 -11.439 1.00 3.02 O ATOM 0 H ASP A 114 7.750 -11.312 -8.093 1.00 21.11 H new ATOM 0 HA ASP A 114 6.481 -12.555 -10.359 1.00 32.53 H new ATOM 0 HB2 ASP A 114 9.297 -12.310 -9.337 1.00 51.24 H new ATOM 0 HB3 ASP A 114 8.931 -13.387 -10.670 1.00 51.24 H new ATOM 1760 N ALA A 115 6.995 -15.109 -10.111 1.00 20.55 N ATOM 1761 CA ALA A 115 6.887 -16.551 -9.923 1.00 42.20 C ATOM 1762 C ALA A 115 8.216 -17.176 -9.520 1.00 11.32 C ATOM 1763 O ALA A 115 9.253 -16.816 -10.088 1.00 35.32 O ATOM 1764 CB ALA A 115 6.518 -17.177 -11.257 1.00 2.44 C ATOM 0 H ALA A 115 7.026 -14.845 -11.096 1.00 20.55 H new ATOM 0 HA ALA A 115 6.147 -16.726 -9.142 1.00 42.20 H new ATOM 0 HB1 ALA A 115 6.432 -18.257 -11.140 1.00 2.44 H new ATOM 0 HB2 ALA A 115 5.565 -16.771 -11.598 1.00 2.44 H new ATOM 0 HB3 ALA A 115 7.292 -16.952 -11.991 1.00 2.44 H new ATOM 1770 N ALA A 116 8.162 -18.196 -8.659 1.00 11.02 N ATOM 1771 CA ALA A 116 9.325 -19.031 -8.398 1.00 12.05 C ATOM 1772 C ALA A 116 9.734 -19.721 -9.695 1.00 55.31 C ATOM 1773 O ALA A 116 8.859 -20.188 -10.434 1.00 14.45 O ATOM 1774 CB ALA A 116 8.976 -20.073 -7.330 1.00 14.11 C ATOM 0 H ALA A 116 7.327 -18.458 -8.136 1.00 11.02 H new ATOM 0 HA ALA A 116 10.153 -18.422 -8.035 1.00 12.05 H new ATOM 0 HB1 ALA A 116 9.847 -20.699 -7.134 1.00 14.11 H new ATOM 0 HB2 ALA A 116 8.679 -19.567 -6.411 1.00 14.11 H new ATOM 0 HB3 ALA A 116 8.154 -20.695 -7.684 1.00 14.11 H new ATOM 1780 N LYS A 117 11.038 -19.843 -9.954 1.00 0.45 N ATOM 1781 CA LYS A 117 11.558 -20.587 -11.095 1.00 64.14 C ATOM 1782 C LYS A 117 12.407 -21.741 -10.584 1.00 60.52 C ATOM 1783 O LYS A 117 13.638 -21.695 -10.639 1.00 62.13 O ATOM 1784 CB LYS A 117 12.280 -19.646 -12.077 1.00 51.20 C ATOM 1785 CG LYS A 117 12.162 -20.230 -13.488 1.00 54.43 C ATOM 1786 CD LYS A 117 12.779 -19.318 -14.548 1.00 20.31 C ATOM 1787 CE LYS A 117 12.498 -19.871 -15.950 1.00 24.25 C ATOM 1788 NZ LYS A 117 13.055 -18.981 -16.987 1.00 35.33 N ATOM 0 H LYS A 117 11.764 -19.425 -9.372 1.00 0.45 H new ATOM 0 HA LYS A 117 10.747 -21.026 -11.677 1.00 64.14 H new ATOM 0 HB2 LYS A 117 11.838 -18.650 -12.041 1.00 51.20 H new ATOM 0 HB3 LYS A 117 13.328 -19.540 -11.798 1.00 51.20 H new ATOM 0 HG2 LYS A 117 12.653 -21.202 -13.518 1.00 54.43 H new ATOM 0 HG3 LYS A 117 11.111 -20.397 -13.723 1.00 54.43 H new ATOM 0 HD2 LYS A 117 12.369 -18.312 -14.457 1.00 20.31 H new ATOM 0 HD3 LYS A 117 13.854 -19.239 -14.389 1.00 20.31 H new ATOM 0 HE2 LYS A 117 12.933 -20.866 -16.047 1.00 24.25 H new ATOM 0 HE3 LYS A 117 11.423 -19.977 -16.095 1.00 24.25 H new ATOM 0 HZ1 LYS A 117 12.853 -19.375 -17.928 1.00 35.33 H new ATOM 0 HZ2 LYS A 117 12.621 -18.039 -16.906 1.00 35.33 H new ATOM 0 HZ3 LYS A 117 14.084 -18.900 -16.859 1.00 35.33 H new ATOM 1802 N GLN A 118 11.745 -22.738 -10.005 1.00 35.25 N ATOM 1803 CA GLN A 118 12.378 -23.889 -9.391 1.00 34.52 C ATOM 1804 C GLN A 118 11.594 -25.107 -9.863 1.00 41.03 C ATOM 1805 O GLN A 118 11.309 -25.172 -11.084 1.00 14.43 O ATOM 1806 CB GLN A 118 12.398 -23.699 -7.860 1.00 35.51 C ATOM 1807 CG GLN A 118 13.104 -22.406 -7.396 1.00 4.11 C ATOM 1808 CD GLN A 118 13.256 -22.348 -5.874 1.00 63.30 C ATOM 1809 OE1 GLN A 118 12.318 -22.627 -5.131 1.00 64.12 O ATOM 1810 NE2 GLN A 118 14.438 -22.052 -5.363 1.00 23.21 N ATOM 0 H GLN A 118 10.727 -22.764 -9.951 1.00 35.25 H new ATOM 0 HA GLN A 118 13.421 -24.020 -9.679 1.00 34.52 H new ATOM 0 HB2 GLN A 118 11.372 -23.693 -7.492 1.00 35.51 H new ATOM 0 HB3 GLN A 118 12.895 -24.556 -7.404 1.00 35.51 H new ATOM 0 HG2 GLN A 118 14.088 -22.344 -7.861 1.00 4.11 H new ATOM 0 HG3 GLN A 118 12.535 -21.541 -7.736 1.00 4.11 H new ATOM 0 HE21 GLN A 118 15.217 -21.820 -5.980 1.00 23.21 H new ATOM 0 HE22 GLN A 118 14.572 -22.055 -4.352 1.00 23.21 H new