USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 870 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 108 HIS : no HD1:sc= -2.17 K(o=-4.5,f=-5.7) USER MOD Set 1.2: A 112 SER OG : rot -178:sc= -2.3 USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 71:sc= -0.153 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.94) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 92:sc= 0.154 USER MOD Single : A 48 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.017) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 30:sc= 0.444 USER MOD Single : A 52 SER OG : rot 72:sc= 0.0118 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0345 K(o=-0.035,f=-1.3) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -140:sc= 0.457 USER MOD Single : A 91 MET CE :methyl -134:sc= -4.83! (180deg=-11.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -5.32! C(o=-5.3!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -159:sc= -0.254 (180deg=-0.897) USER MOD Single : A 105 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.6!) USER MOD Single : A 107 GLN : amide:sc= -6.53! C(o=-6.5!,f=-6.8!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 30:sc= -1.93! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 8.645 27.094 -2.810 1.00 0.00 N ATOM 110 CA GLU A 12 8.605 25.737 -2.278 1.00 0.00 C ATOM 111 C GLU A 12 7.165 25.260 -2.113 1.00 0.00 C ATOM 112 O GLU A 12 6.228 26.057 -2.144 1.00 0.00 O ATOM 113 CB GLU A 12 9.333 25.672 -0.933 1.00 0.00 C ATOM 114 CG GLU A 12 10.847 25.679 -1.060 1.00 0.00 C ATOM 115 CD GLU A 12 11.533 26.239 0.171 1.00 0.00 C ATOM 116 OE1 GLU A 12 11.005 27.208 0.756 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.597 25.707 0.550 1.00 0.00 O ATOM 0 HA GLU A 12 9.108 25.080 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.024 26.519 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.025 24.769 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.198 24.662 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.132 26.270 -1.931 1.00 0.00 H new ATOM 124 N ARG A 13 6.998 23.953 -1.938 1.00 0.00 N ATOM 125 CA ARG A 13 5.673 23.368 -1.770 1.00 0.00 C ATOM 126 C ARG A 13 5.663 22.365 -0.620 1.00 0.00 C ATOM 127 O ARG A 13 6.716 21.951 -0.137 1.00 0.00 O ATOM 128 CB ARG A 13 5.227 22.682 -3.063 1.00 0.00 C ATOM 129 CG ARG A 13 6.068 21.471 -3.432 1.00 0.00 C ATOM 130 CD ARG A 13 5.533 20.779 -4.675 1.00 0.00 C ATOM 131 NE ARG A 13 5.925 21.472 -5.899 1.00 0.00 N ATOM 132 CZ ARG A 13 5.228 21.421 -7.029 1.00 0.00 C ATOM 133 NH1 ARG A 13 4.108 20.713 -7.089 1.00 0.00 N ATOM 134 NH2 ARG A 13 5.649 22.079 -8.101 1.00 0.00 N ATOM 0 H ARG A 13 7.763 23.279 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 13 4.976 24.172 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.187 22.373 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.266 23.403 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.099 21.781 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.080 20.768 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.901 19.753 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.446 20.726 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 13 6.781 22.026 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.780 20.206 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.574 20.675 -7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.509 22.625 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.112 22.039 -8.968 1.00 0.00 H new ATOM 148 N GLN A 14 4.467 21.980 -0.188 1.00 0.00 N ATOM 149 CA GLN A 14 4.321 21.027 0.906 1.00 0.00 C ATOM 150 C GLN A 14 3.574 19.780 0.445 1.00 0.00 C ATOM 151 O GLN A 14 2.440 19.861 -0.028 1.00 0.00 O ATOM 152 CB GLN A 14 3.582 21.674 2.079 1.00 0.00 C ATOM 153 CG GLN A 14 4.184 22.997 2.523 1.00 0.00 C ATOM 154 CD GLN A 14 3.856 23.333 3.964 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.699 23.571 4.310 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.876 23.354 4.814 1.00 0.00 N ATOM 0 H GLN A 14 3.585 22.313 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 14 5.318 20.731 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.541 21.834 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.581 20.984 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.266 22.959 2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.818 23.794 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.819 23.150 4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.716 23.574 5.797 1.00 0.00 H new ATOM 165 N LEU A 15 4.218 18.626 0.585 1.00 0.00 N ATOM 166 CA LEU A 15 3.615 17.360 0.183 1.00 0.00 C ATOM 167 C LEU A 15 2.515 16.947 1.155 1.00 0.00 C ATOM 168 O LEU A 15 2.714 16.947 2.370 1.00 0.00 O ATOM 169 CB LEU A 15 4.681 16.266 0.106 1.00 0.00 C ATOM 170 CG LEU A 15 4.169 14.826 0.133 1.00 0.00 C ATOM 171 CD1 LEU A 15 3.119 14.612 -0.946 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.320 13.846 -0.039 1.00 0.00 C ATOM 0 H LEU A 15 5.157 18.541 0.974 1.00 0.00 H new ATOM 0 HA LEU A 15 3.170 17.495 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.254 16.409 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.372 16.400 0.939 1.00 0.00 H new ATOM 0 HG LEU A 15 3.706 14.645 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.766 13.581 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.281 15.288 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.556 14.813 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.936 12.826 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.813 14.028 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.037 13.981 0.771 1.00 0.00 H new ATOM 184 N SER A 16 1.354 16.593 0.613 1.00 0.00 N ATOM 185 CA SER A 16 0.221 16.179 1.432 1.00 0.00 C ATOM 186 C SER A 16 -0.250 14.782 1.041 1.00 0.00 C ATOM 187 O SER A 16 -0.686 14.539 -0.085 1.00 0.00 O ATOM 188 CB SER A 16 -0.929 17.177 1.291 1.00 0.00 C ATOM 189 OG SER A 16 -1.714 17.221 2.470 1.00 0.00 O ATOM 0 H SER A 16 1.173 16.585 -0.391 1.00 0.00 H new ATOM 0 HA SER A 16 0.545 16.155 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.530 18.169 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.555 16.898 0.444 1.00 0.00 H new ATOM 0 HG SER A 16 -2.441 17.868 2.355 1.00 0.00 H new ATOM 195 N PRO A 17 -0.163 13.841 1.992 1.00 0.00 N ATOM 196 CA PRO A 17 -0.576 12.452 1.772 1.00 0.00 C ATOM 197 C PRO A 17 -2.088 12.312 1.635 1.00 0.00 C ATOM 198 O PRO A 17 -2.579 11.660 0.715 1.00 0.00 O ATOM 199 CB PRO A 17 -0.084 11.731 3.030 1.00 0.00 C ATOM 200 CG PRO A 17 -0.024 12.791 4.074 1.00 0.00 C ATOM 201 CD PRO A 17 0.346 14.060 3.356 1.00 0.00 C ATOM 0 HA PRO A 17 -0.168 12.048 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.764 10.929 3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.894 11.277 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.984 12.895 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.714 12.545 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.113 14.933 3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.423 14.225 3.361 1.00 0.00 H new ATOM 209 N GLU A 18 -2.821 12.928 2.558 1.00 0.00 N ATOM 210 CA GLU A 18 -4.278 12.871 2.539 1.00 0.00 C ATOM 211 C GLU A 18 -4.819 13.230 1.158 1.00 0.00 C ATOM 212 O GLU A 18 -5.737 12.586 0.651 1.00 0.00 O ATOM 213 CB GLU A 18 -4.861 13.818 3.589 1.00 0.00 C ATOM 214 CG GLU A 18 -4.251 15.210 3.560 1.00 0.00 C ATOM 215 CD GLU A 18 -4.302 15.898 4.910 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.324 16.553 5.203 1.00 0.00 O ATOM 217 OE2 GLU A 18 -3.320 15.781 5.673 1.00 0.00 O ATOM 0 H GLU A 18 -2.430 13.472 3.327 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.579 11.850 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.937 13.899 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.712 13.386 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.214 15.141 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.779 15.819 2.826 1.00 0.00 H new ATOM 224 N LYS A 19 -4.243 14.264 0.554 1.00 0.00 N ATOM 225 CA LYS A 19 -4.664 14.710 -0.769 1.00 0.00 C ATOM 226 C LYS A 19 -4.399 13.634 -1.816 1.00 0.00 C ATOM 227 O LYS A 19 -5.275 13.300 -2.613 1.00 0.00 O ATOM 228 CB LYS A 19 -3.935 16.000 -1.151 1.00 0.00 C ATOM 229 CG LYS A 19 -4.601 17.257 -0.615 1.00 0.00 C ATOM 230 CD LYS A 19 -5.931 17.518 -1.301 1.00 0.00 C ATOM 231 CE LYS A 19 -6.451 18.914 -0.994 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.273 19.458 -2.110 1.00 0.00 N ATOM 0 H LYS A 19 -3.483 14.809 0.960 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.736 14.903 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.912 15.954 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.875 16.066 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.758 17.157 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.940 18.111 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.815 17.400 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.661 16.777 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.049 18.887 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.610 19.581 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.608 20.411 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.696 19.508 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.090 18.836 -2.275 1.00 0.00 H new ATOM 246 N SER A 20 -3.184 13.094 -1.809 1.00 0.00 N ATOM 247 CA SER A 20 -2.802 12.058 -2.760 1.00 0.00 C ATOM 248 C SER A 20 -3.969 11.112 -3.030 1.00 0.00 C ATOM 249 O SER A 20 -4.699 10.734 -2.114 1.00 0.00 O ATOM 250 CB SER A 20 -1.602 11.269 -2.233 1.00 0.00 C ATOM 251 OG SER A 20 -0.462 12.100 -2.106 1.00 0.00 O ATOM 0 H SER A 20 -2.447 13.358 -1.154 1.00 0.00 H new ATOM 0 HA SER A 20 -2.525 12.543 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.847 10.832 -1.265 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.380 10.443 -2.909 1.00 0.00 H new ATOM 0 HG SER A 20 -0.593 12.724 -1.362 1.00 0.00 H new ATOM 257 N GLU A 21 -4.136 10.733 -4.293 1.00 0.00 N ATOM 258 CA GLU A 21 -5.214 9.832 -4.684 1.00 0.00 C ATOM 259 C GLU A 21 -4.656 8.525 -5.238 1.00 0.00 C ATOM 260 O GLU A 21 -3.966 8.515 -6.258 1.00 0.00 O ATOM 261 CB GLU A 21 -6.113 10.499 -5.727 1.00 0.00 C ATOM 262 CG GLU A 21 -6.635 11.860 -5.301 1.00 0.00 C ATOM 263 CD GLU A 21 -7.911 11.767 -4.487 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.061 10.787 -3.728 1.00 0.00 O ATOM 265 OE2 GLU A 21 -8.759 12.675 -4.608 1.00 0.00 O ATOM 0 H GLU A 21 -3.539 11.036 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.805 9.607 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.556 10.608 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.959 9.844 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.871 12.371 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.817 12.469 -6.187 1.00 0.00 H new ATOM 272 N ILE A 22 -4.959 7.424 -4.558 1.00 0.00 N ATOM 273 CA ILE A 22 -4.488 6.111 -4.982 1.00 0.00 C ATOM 274 C ILE A 22 -5.538 5.397 -5.826 1.00 0.00 C ATOM 275 O ILE A 22 -6.638 5.110 -5.354 1.00 0.00 O ATOM 276 CB ILE A 22 -4.128 5.225 -3.775 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.069 5.912 -2.909 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.635 3.865 -4.244 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.925 5.300 -1.533 1.00 0.00 C ATOM 0 H ILE A 22 -5.528 7.415 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.593 6.276 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.024 5.076 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.108 5.867 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.325 6.966 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.385 3.251 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.417 3.374 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.749 3.994 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.158 5.836 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.875 5.369 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.638 4.253 -1.629 1.00 0.00 H new ATOM 291 N TRP A 23 -5.190 5.112 -7.076 1.00 0.00 N ATOM 292 CA TRP A 23 -6.103 4.429 -7.986 1.00 0.00 C ATOM 293 C TRP A 23 -5.552 3.066 -8.388 1.00 0.00 C ATOM 294 O TRP A 23 -4.428 2.711 -8.035 1.00 0.00 O ATOM 295 CB TRP A 23 -6.345 5.282 -9.233 1.00 0.00 C ATOM 296 CG TRP A 23 -5.199 5.262 -10.198 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.906 4.280 -11.101 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.193 6.268 -10.356 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.778 4.615 -11.811 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.322 5.831 -11.373 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.944 7.496 -9.738 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.222 6.579 -11.783 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.851 8.238 -10.146 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.002 7.778 -11.161 1.00 0.00 C ATOM 0 H TRP A 23 -4.283 5.343 -7.482 1.00 0.00 H new ATOM 0 HA TRP A 23 -7.050 4.279 -7.467 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.243 4.927 -9.739 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.537 6.311 -8.929 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.477 3.373 -11.237 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.350 4.050 -12.545 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.594 7.859 -8.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.565 6.226 -12.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.648 9.188 -9.674 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.157 8.382 -11.458 1.00 0.00 H new ATOM 315 N GLY A 24 -6.351 2.304 -9.128 1.00 0.00 N ATOM 316 CA GLY A 24 -5.925 0.987 -9.565 1.00 0.00 C ATOM 317 C GLY A 24 -6.875 -0.107 -9.119 1.00 0.00 C ATOM 318 O GLY A 24 -7.359 -0.115 -7.987 1.00 0.00 O ATOM 0 H GLY A 24 -7.286 2.575 -9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.847 0.976 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.929 0.782 -9.172 1.00 0.00 H new ATOM 322 N PRO A 25 -7.155 -1.058 -10.023 1.00 0.00 N ATOM 323 CA PRO A 25 -8.056 -2.179 -9.740 1.00 0.00 C ATOM 324 C PRO A 25 -7.458 -3.165 -8.743 1.00 0.00 C ATOM 325 O PRO A 25 -8.073 -4.179 -8.413 1.00 0.00 O ATOM 326 CB PRO A 25 -8.237 -2.843 -11.107 1.00 0.00 C ATOM 327 CG PRO A 25 -7.009 -2.481 -11.869 1.00 0.00 C ATOM 328 CD PRO A 25 -6.614 -1.111 -11.391 1.00 0.00 C ATOM 0 HA PRO A 25 -8.990 -1.847 -9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.340 -3.924 -11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.135 -2.481 -11.608 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.212 -3.202 -11.689 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.202 -2.480 -12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.532 -0.978 -11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.037 -0.328 -12.021 1.00 0.00 H new ATOM 336 N GLY A 26 -6.254 -2.862 -8.266 1.00 0.00 N ATOM 337 CA GLY A 26 -5.593 -3.733 -7.312 1.00 0.00 C ATOM 338 C GLY A 26 -6.469 -4.054 -6.117 1.00 0.00 C ATOM 339 O GLY A 26 -6.390 -5.147 -5.555 1.00 0.00 O ATOM 0 H GLY A 26 -5.725 -2.029 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.307 -4.660 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.674 -3.259 -6.968 1.00 0.00 H new ATOM 343 N LEU A 27 -7.305 -3.099 -5.725 1.00 0.00 N ATOM 344 CA LEU A 27 -8.199 -3.284 -4.587 1.00 0.00 C ATOM 345 C LEU A 27 -9.474 -4.008 -5.009 1.00 0.00 C ATOM 346 O LEU A 27 -9.939 -4.919 -4.324 1.00 0.00 O ATOM 347 CB LEU A 27 -8.549 -1.933 -3.963 1.00 0.00 C ATOM 348 CG LEU A 27 -7.381 -1.148 -3.364 1.00 0.00 C ATOM 349 CD1 LEU A 27 -6.803 -0.186 -4.389 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.827 -0.397 -2.117 1.00 0.00 C ATOM 0 H LEU A 27 -7.383 -2.189 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.683 -3.896 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.023 -1.315 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.290 -2.098 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.601 -1.855 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.973 0.364 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.446 -0.746 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.575 0.516 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.983 0.156 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.625 0.299 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.193 -1.107 -1.376 1.00 0.00 H new ATOM 362 N LYS A 28 -10.034 -3.597 -6.141 1.00 0.00 N ATOM 363 CA LYS A 28 -11.254 -4.208 -6.658 1.00 0.00 C ATOM 364 C LYS A 28 -11.166 -5.729 -6.602 1.00 0.00 C ATOM 365 O LYS A 28 -10.076 -6.296 -6.538 1.00 0.00 O ATOM 366 CB LYS A 28 -11.506 -3.753 -8.097 1.00 0.00 C ATOM 367 CG LYS A 28 -12.041 -2.335 -8.202 1.00 0.00 C ATOM 368 CD LYS A 28 -11.224 -1.368 -7.362 1.00 0.00 C ATOM 369 CE LYS A 28 -11.773 0.048 -7.451 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.837 0.294 -6.439 1.00 0.00 N ATOM 0 H LYS A 28 -9.663 -2.843 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.086 -3.887 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.575 -3.824 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.215 -4.435 -8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.026 -2.016 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.081 -2.312 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.226 -1.696 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.187 -1.379 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.962 0.762 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.175 0.220 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.186 1.269 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.622 -0.370 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.447 0.155 -5.485 1.00 0.00 H new ATOM 384 N ALA A 29 -12.322 -6.385 -6.627 1.00 0.00 N ATOM 385 CA ALA A 29 -12.375 -7.841 -6.583 1.00 0.00 C ATOM 386 C ALA A 29 -12.434 -8.431 -7.988 1.00 0.00 C ATOM 387 O ALA A 29 -12.505 -7.700 -8.976 1.00 0.00 O ATOM 388 CB ALA A 29 -13.573 -8.301 -5.765 1.00 0.00 C ATOM 0 H ALA A 29 -13.234 -5.931 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.463 -8.199 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.600 -9.390 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.488 -7.917 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.490 -7.925 -6.219 1.00 0.00 H new ATOM 394 N ASP A 30 -12.404 -9.757 -8.070 1.00 0.00 N ATOM 395 CA ASP A 30 -12.454 -10.445 -9.354 1.00 0.00 C ATOM 396 C ASP A 30 -11.619 -9.710 -10.398 1.00 0.00 C ATOM 397 O ASP A 30 -12.105 -9.384 -11.481 1.00 0.00 O ATOM 398 CB ASP A 30 -13.901 -10.568 -9.835 1.00 0.00 C ATOM 399 CG ASP A 30 -14.110 -11.764 -10.742 1.00 0.00 C ATOM 400 OD1 ASP A 30 -13.348 -12.746 -10.615 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.036 -11.720 -11.578 1.00 0.00 O ATOM 0 H ASP A 30 -12.345 -10.377 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.038 -11.443 -9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.562 -10.650 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.183 -9.659 -10.367 1.00 0.00 H new ATOM 406 N VAL A 31 -10.358 -9.451 -10.064 1.00 0.00 N ATOM 407 CA VAL A 31 -9.455 -8.754 -10.972 1.00 0.00 C ATOM 408 C VAL A 31 -8.333 -9.672 -11.443 1.00 0.00 C ATOM 409 O VAL A 31 -8.042 -9.753 -12.637 1.00 0.00 O ATOM 410 CB VAL A 31 -8.839 -7.509 -10.306 1.00 0.00 C ATOM 411 CG1 VAL A 31 -9.901 -6.444 -10.080 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.164 -7.886 -8.996 1.00 0.00 C ATOM 0 H VAL A 31 -9.939 -9.713 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.049 -8.441 -11.830 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.082 -7.098 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.447 -5.572 -9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.335 -6.154 -11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.682 -6.841 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.734 -6.995 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.900 -8.322 -8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.374 -8.612 -9.189 1.00 0.00 H new ATOM 422 N VAL A 32 -7.705 -10.363 -10.497 1.00 0.00 N ATOM 423 CA VAL A 32 -6.615 -11.278 -10.815 1.00 0.00 C ATOM 424 C VAL A 32 -6.610 -12.476 -9.872 1.00 0.00 C ATOM 425 O VAL A 32 -6.946 -12.353 -8.693 1.00 0.00 O ATOM 426 CB VAL A 32 -5.249 -10.572 -10.737 1.00 0.00 C ATOM 427 CG1 VAL A 32 -5.175 -9.438 -11.749 1.00 0.00 C ATOM 428 CG2 VAL A 32 -4.995 -10.057 -9.328 1.00 0.00 C ATOM 0 H VAL A 32 -7.932 -10.307 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.780 -11.623 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.471 -11.296 -10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.202 -8.951 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.309 -9.838 -12.754 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.960 -8.712 -11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.025 -9.561 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.776 -9.348 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.002 -10.893 -8.628 1.00 0.00 H new ATOM 438 N LEU A 33 -6.227 -13.634 -10.398 1.00 0.00 N ATOM 439 CA LEU A 33 -6.177 -14.856 -9.602 1.00 0.00 C ATOM 440 C LEU A 33 -5.018 -14.814 -8.612 1.00 0.00 C ATOM 441 O LEU A 33 -5.204 -14.885 -7.397 1.00 0.00 O ATOM 442 CB LEU A 33 -6.040 -16.076 -10.514 1.00 0.00 C ATOM 443 CG LEU A 33 -7.345 -16.775 -10.900 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.092 -17.822 -11.975 1.00 0.00 C ATOM 445 CD2 LEU A 33 -7.992 -17.409 -9.678 1.00 0.00 C ATOM 0 H LEU A 33 -5.947 -13.753 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.108 -14.933 -9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.533 -15.767 -11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.394 -16.802 -10.021 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.029 -16.028 -11.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.031 -18.309 -12.237 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.673 -17.342 -12.859 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.390 -18.566 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.919 -17.902 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.312 -18.143 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.209 -16.637 -8.940 1.00 0.00 H new ATOM 457 N PRO A 34 -3.791 -14.695 -9.141 1.00 0.00 N ATOM 458 CA PRO A 34 -2.577 -14.638 -8.322 1.00 0.00 C ATOM 459 C PRO A 34 -2.470 -13.338 -7.533 1.00 0.00 C ATOM 460 O PRO A 34 -2.963 -13.239 -6.410 1.00 0.00 O ATOM 461 CB PRO A 34 -1.449 -14.734 -9.352 1.00 0.00 C ATOM 462 CG PRO A 34 -2.044 -14.213 -10.614 1.00 0.00 C ATOM 463 CD PRO A 34 -3.495 -14.606 -10.581 1.00 0.00 C ATOM 0 HA PRO A 34 -2.555 -15.428 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.584 -14.144 -9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.107 -15.762 -9.470 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.934 -13.130 -10.679 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.545 -14.637 -11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.123 -13.865 -11.075 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.666 -15.557 -11.086 1.00 0.00 H new ATOM 471 N ALA A 35 -1.823 -12.341 -8.129 1.00 0.00 N ATOM 472 CA ALA A 35 -1.654 -11.046 -7.483 1.00 0.00 C ATOM 473 C ALA A 35 -1.559 -9.926 -8.515 1.00 0.00 C ATOM 474 O ALA A 35 -1.350 -10.179 -9.702 1.00 0.00 O ATOM 475 CB ALA A 35 -0.418 -11.055 -6.596 1.00 0.00 C ATOM 0 H ALA A 35 -1.408 -12.406 -9.058 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.531 -10.860 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.305 -10.081 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.526 -11.823 -5.830 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.463 -11.268 -7.202 1.00 0.00 H new ATOM 481 N ARG A 36 -1.713 -8.689 -8.055 1.00 0.00 N ATOM 482 CA ARG A 36 -1.646 -7.531 -8.938 1.00 0.00 C ATOM 483 C ARG A 36 -0.971 -6.354 -8.241 1.00 0.00 C ATOM 484 O ARG A 36 -0.783 -6.364 -7.024 1.00 0.00 O ATOM 485 CB ARG A 36 -3.049 -7.130 -9.396 1.00 0.00 C ATOM 486 CG ARG A 36 -3.076 -5.871 -10.246 1.00 0.00 C ATOM 487 CD ARG A 36 -4.417 -5.697 -10.942 1.00 0.00 C ATOM 488 NE ARG A 36 -4.298 -4.918 -12.171 1.00 0.00 N ATOM 489 CZ ARG A 36 -3.901 -5.430 -13.331 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.587 -6.715 -13.418 1.00 0.00 N ATOM 491 NH2 ARG A 36 -3.818 -4.657 -14.406 1.00 0.00 N ATOM 0 H ARG A 36 -1.885 -8.463 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.051 -7.804 -9.810 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.485 -7.951 -9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.679 -6.980 -8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.875 -5.003 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.281 -5.916 -10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.836 -6.677 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.115 -5.203 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.533 -3.926 -12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.650 -7.312 -12.594 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.282 -7.106 -14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.059 -3.668 -14.343 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.513 -5.052 -15.296 1.00 0.00 H new ATOM 505 N TYR A 37 -0.607 -5.342 -9.020 1.00 0.00 N ATOM 506 CA TYR A 37 0.050 -4.158 -8.479 1.00 0.00 C ATOM 507 C TYR A 37 -0.711 -2.891 -8.857 1.00 0.00 C ATOM 508 O TYR A 37 -1.485 -2.880 -9.814 1.00 0.00 O ATOM 509 CB TYR A 37 1.491 -4.072 -8.986 1.00 0.00 C ATOM 510 CG TYR A 37 1.595 -3.878 -10.482 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.202 -4.879 -11.361 1.00 0.00 C ATOM 512 CD2 TYR A 37 2.087 -2.693 -11.016 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.296 -4.706 -12.729 1.00 0.00 C ATOM 514 CE2 TYR A 37 2.183 -2.511 -12.382 1.00 0.00 C ATOM 515 CZ TYR A 37 1.787 -3.521 -13.234 1.00 0.00 C ATOM 516 OH TYR A 37 1.882 -3.344 -14.595 1.00 0.00 O ATOM 0 H TYR A 37 -0.756 -5.318 -10.029 1.00 0.00 H new ATOM 0 HA TYR A 37 0.059 -4.243 -7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.995 -3.246 -8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.020 -4.984 -8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.816 -5.808 -10.969 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.400 -1.901 -10.352 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.987 -5.495 -13.399 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.566 -1.583 -12.781 1.00 0.00 H new ATOM 0 HH TYR A 37 2.246 -2.454 -14.785 1.00 0.00 H new ATOM 526 N PHE A 38 -0.485 -1.824 -8.098 1.00 0.00 N ATOM 527 CA PHE A 38 -1.148 -0.551 -8.351 1.00 0.00 C ATOM 528 C PHE A 38 -0.142 0.596 -8.357 1.00 0.00 C ATOM 529 O PHE A 38 1.065 0.377 -8.254 1.00 0.00 O ATOM 530 CB PHE A 38 -2.226 -0.294 -7.296 1.00 0.00 C ATOM 531 CG PHE A 38 -1.721 -0.402 -5.885 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.419 -1.638 -5.337 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.549 0.731 -5.108 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.954 -1.742 -4.040 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.084 0.634 -3.810 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.787 -0.604 -3.275 1.00 0.00 C ATOM 0 H PHE A 38 0.153 -1.816 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.617 -0.604 -9.334 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.643 0.701 -7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.039 -1.006 -7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.549 -2.531 -5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.781 1.702 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.721 -2.712 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.953 1.526 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.425 -0.682 -2.261 1.00 0.00 H new ATOM 546 N TYR A 39 -0.647 1.818 -8.478 1.00 0.00 N ATOM 547 CA TYR A 39 0.207 3.000 -8.500 1.00 0.00 C ATOM 548 C TYR A 39 -0.197 3.984 -7.406 1.00 0.00 C ATOM 549 O TYR A 39 -1.303 3.914 -6.870 1.00 0.00 O ATOM 550 CB TYR A 39 0.134 3.682 -9.867 1.00 0.00 C ATOM 551 CG TYR A 39 0.503 2.773 -11.018 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.432 1.753 -10.854 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.080 2.933 -12.269 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.772 0.921 -11.902 1.00 0.00 C ATOM 555 CE2 TYR A 39 0.252 2.104 -13.323 1.00 0.00 C ATOM 556 CZ TYR A 39 1.179 1.100 -13.135 1.00 0.00 C ATOM 557 OH TYR A 39 1.514 0.272 -14.182 1.00 0.00 O ATOM 0 H TYR A 39 -1.644 2.017 -8.562 1.00 0.00 H new ATOM 0 HA TYR A 39 1.232 2.680 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.877 4.059 -10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.800 4.545 -9.869 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.896 1.608 -9.890 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.805 3.719 -12.420 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.498 0.135 -11.758 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.212 2.241 -14.289 1.00 0.00 H new ATOM 0 HH TYR A 39 1.006 0.531 -14.979 1.00 0.00 H new ATOM 567 N ILE A 40 0.709 4.900 -7.081 1.00 0.00 N ATOM 568 CA ILE A 40 0.448 5.900 -6.053 1.00 0.00 C ATOM 569 C ILE A 40 0.913 7.282 -6.499 1.00 0.00 C ATOM 570 O ILE A 40 2.105 7.509 -6.707 1.00 0.00 O ATOM 571 CB ILE A 40 1.144 5.540 -4.727 1.00 0.00 C ATOM 572 CG1 ILE A 40 0.662 4.177 -4.226 1.00 0.00 C ATOM 573 CG2 ILE A 40 0.886 6.616 -3.684 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.692 3.436 -3.403 1.00 0.00 C ATOM 0 H ILE A 40 1.630 4.970 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.630 5.915 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 40 2.218 5.482 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.238 4.317 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.383 3.563 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.384 6.347 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.275 7.570 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.186 6.704 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.281 2.479 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.584 3.264 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.954 4.030 -2.528 1.00 0.00 H new ATOM 586 N GLN A 41 -0.036 8.202 -6.643 1.00 0.00 N ATOM 587 CA GLN A 41 0.278 9.562 -7.064 1.00 0.00 C ATOM 588 C GLN A 41 0.363 10.498 -5.862 1.00 0.00 C ATOM 589 O GLN A 41 -0.485 10.457 -4.971 1.00 0.00 O ATOM 590 CB GLN A 41 -0.778 10.071 -8.047 1.00 0.00 C ATOM 591 CG GLN A 41 -0.608 11.535 -8.420 1.00 0.00 C ATOM 592 CD GLN A 41 0.320 11.732 -9.603 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.132 11.130 -10.660 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.328 12.579 -9.430 1.00 0.00 N ATOM 0 H GLN A 41 -1.027 8.030 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 41 1.249 9.547 -7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.739 9.467 -8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.767 9.928 -7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.583 11.962 -8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.217 12.082 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.445 13.056 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.985 12.752 -10.191 1.00 0.00 H new ATOM 603 N ALA A 42 1.391 11.339 -5.845 1.00 0.00 N ATOM 604 CA ALA A 42 1.586 12.286 -4.754 1.00 0.00 C ATOM 605 C ALA A 42 0.904 13.616 -5.053 1.00 0.00 C ATOM 606 O ALA A 42 0.830 14.042 -6.206 1.00 0.00 O ATOM 607 CB ALA A 42 3.070 12.497 -4.497 1.00 0.00 C ATOM 0 H ALA A 42 2.102 11.384 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 42 1.130 11.868 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.200 13.206 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.532 11.547 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.543 12.889 -5.397 1.00 0.00 H new ATOM 613 N VAL A 43 0.406 14.269 -4.008 1.00 0.00 N ATOM 614 CA VAL A 43 -0.270 15.552 -4.160 1.00 0.00 C ATOM 615 C VAL A 43 0.018 16.468 -2.975 1.00 0.00 C ATOM 616 O VAL A 43 0.138 16.011 -1.839 1.00 0.00 O ATOM 617 CB VAL A 43 -1.793 15.372 -4.296 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.489 16.723 -4.352 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.123 14.542 -5.528 1.00 0.00 C ATOM 0 H VAL A 43 0.458 13.931 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 43 0.117 16.007 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.158 14.839 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.565 16.574 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.280 17.278 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.122 17.286 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.204 14.425 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.745 15.046 -6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.657 13.561 -5.441 1.00 0.00 H new ATOM 629 N ASP A 44 0.128 17.764 -3.249 1.00 0.00 N ATOM 630 CA ASP A 44 0.400 18.745 -2.206 1.00 0.00 C ATOM 631 C ASP A 44 -0.893 19.205 -1.541 1.00 0.00 C ATOM 632 O ASP A 44 -1.973 18.693 -1.838 1.00 0.00 O ATOM 633 CB ASP A 44 1.144 19.948 -2.790 1.00 0.00 C ATOM 634 CG ASP A 44 0.223 20.887 -3.544 1.00 0.00 C ATOM 635 OD1 ASP A 44 -0.470 20.420 -4.473 1.00 0.00 O ATOM 636 OD2 ASP A 44 0.195 22.089 -3.206 1.00 0.00 O ATOM 0 H ASP A 44 0.033 18.159 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 44 1.027 18.271 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.635 20.494 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.928 19.596 -3.461 1.00 0.00 H new ATOM 641 N THR A 45 -0.777 20.174 -0.638 1.00 0.00 N ATOM 642 CA THR A 45 -1.936 20.701 0.071 1.00 0.00 C ATOM 643 C THR A 45 -2.891 21.407 -0.885 1.00 0.00 C ATOM 644 O THR A 45 -4.071 21.584 -0.580 1.00 0.00 O ATOM 645 CB THR A 45 -1.517 21.685 1.180 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.050 22.907 0.599 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.426 21.083 2.053 1.00 0.00 C ATOM 0 H THR A 45 0.109 20.610 -0.381 1.00 0.00 H new ATOM 0 HA THR A 45 -2.443 19.849 0.524 1.00 0.00 H new ATOM 0 HB THR A 45 -2.388 21.889 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.787 23.528 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.146 21.796 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.794 20.168 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.445 20.854 1.440 1.00 0.00 H new ATOM 655 N SER A 46 -2.374 21.807 -2.042 1.00 0.00 N ATOM 656 CA SER A 46 -3.181 22.497 -3.042 1.00 0.00 C ATOM 657 C SER A 46 -3.995 21.502 -3.863 1.00 0.00 C ATOM 658 O SER A 46 -5.203 21.664 -4.036 1.00 0.00 O ATOM 659 CB SER A 46 -2.287 23.327 -3.965 1.00 0.00 C ATOM 660 OG SER A 46 -1.633 24.360 -3.248 1.00 0.00 O ATOM 0 H SER A 46 -1.400 21.665 -2.310 1.00 0.00 H new ATOM 0 HA SER A 46 -3.870 23.162 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.546 22.681 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.887 23.759 -4.765 1.00 0.00 H new ATOM 0 HG SER A 46 -0.761 24.040 -2.936 1.00 0.00 H new ATOM 666 N GLY A 47 -3.324 20.471 -4.368 1.00 0.00 N ATOM 667 CA GLY A 47 -4.000 19.465 -5.165 1.00 0.00 C ATOM 668 C GLY A 47 -3.312 19.218 -6.493 1.00 0.00 C ATOM 669 O GLY A 47 -3.917 18.692 -7.425 1.00 0.00 O ATOM 0 H GLY A 47 -2.324 20.315 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.045 18.532 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.028 19.779 -5.345 1.00 0.00 H new ATOM 673 N ASN A 48 -2.042 19.601 -6.579 1.00 0.00 N ATOM 674 CA ASN A 48 -1.270 19.421 -7.804 1.00 0.00 C ATOM 675 C ASN A 48 -0.369 18.194 -7.703 1.00 0.00 C ATOM 676 O ASN A 48 0.088 17.833 -6.619 1.00 0.00 O ATOM 677 CB ASN A 48 -0.427 20.665 -8.088 1.00 0.00 C ATOM 678 CG ASN A 48 -1.248 21.940 -8.060 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.925 22.277 -9.031 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.192 22.655 -6.942 1.00 0.00 N ATOM 0 H ASN A 48 -1.526 20.038 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.970 19.270 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.372 20.735 -7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.048 20.563 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.724 23.522 -6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.617 22.337 -6.162 1.00 0.00 H new ATOM 687 N LYS A 49 -0.118 17.556 -8.841 1.00 0.00 N ATOM 688 CA LYS A 49 0.730 16.371 -8.884 1.00 0.00 C ATOM 689 C LYS A 49 2.202 16.749 -8.759 1.00 0.00 C ATOM 690 O LYS A 49 2.671 17.680 -9.414 1.00 0.00 O ATOM 691 CB LYS A 49 0.499 15.600 -10.186 1.00 0.00 C ATOM 692 CG LYS A 49 -0.945 15.181 -10.397 1.00 0.00 C ATOM 693 CD LYS A 49 -1.302 15.134 -11.874 1.00 0.00 C ATOM 694 CE LYS A 49 -1.736 16.498 -12.387 1.00 0.00 C ATOM 695 NZ LYS A 49 -1.527 16.631 -13.855 1.00 0.00 N ATOM 0 H LYS A 49 -0.490 17.840 -9.747 1.00 0.00 H new ATOM 0 HA LYS A 49 0.464 15.735 -8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.815 16.219 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.130 14.712 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.109 14.200 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.606 15.879 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.442 14.786 -12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.104 14.413 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.789 16.655 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.176 17.276 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.835 17.575 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.518 16.507 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.082 15.905 -14.352 1.00 0.00 H new ATOM 709 N PHE A 50 2.926 16.022 -7.914 1.00 0.00 N ATOM 710 CA PHE A 50 4.345 16.282 -7.704 1.00 0.00 C ATOM 711 C PHE A 50 5.166 15.819 -8.903 1.00 0.00 C ATOM 712 O PHE A 50 6.008 16.557 -9.417 1.00 0.00 O ATOM 713 CB PHE A 50 4.832 15.578 -6.436 1.00 0.00 C ATOM 714 CG PHE A 50 4.709 16.419 -5.198 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.466 16.689 -4.648 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.836 16.940 -4.583 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.349 17.463 -3.509 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.726 17.714 -3.444 1.00 0.00 C ATOM 719 CZ PHE A 50 4.481 17.977 -2.906 1.00 0.00 C ATOM 0 H PHE A 50 2.553 15.248 -7.364 1.00 0.00 H new ATOM 0 HA PHE A 50 4.478 17.358 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.262 14.659 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.875 15.290 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.578 16.290 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.812 16.739 -4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.374 17.666 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.613 18.113 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.393 18.583 -2.016 1.00 0.00 H new ATOM 729 N THR A 51 4.916 14.591 -9.346 1.00 0.00 N ATOM 730 CA THR A 51 5.632 14.027 -10.483 1.00 0.00 C ATOM 731 C THR A 51 7.138 14.205 -10.328 1.00 0.00 C ATOM 732 O THR A 51 7.862 14.338 -11.314 1.00 0.00 O ATOM 733 CB THR A 51 5.184 14.676 -11.806 1.00 0.00 C ATOM 734 OG1 THR A 51 5.258 16.102 -11.703 1.00 0.00 O ATOM 735 CG2 THR A 51 3.763 14.261 -12.159 1.00 0.00 C ATOM 0 H THR A 51 4.222 13.967 -8.934 1.00 0.00 H new ATOM 0 HA THR A 51 5.395 12.963 -10.509 1.00 0.00 H new ATOM 0 HB THR A 51 5.852 14.335 -12.596 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.978 16.348 -11.085 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.469 14.732 -13.097 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.717 13.177 -12.267 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.084 14.576 -11.366 1.00 0.00 H new ATOM 743 N SER A 52 7.604 14.207 -9.083 1.00 0.00 N ATOM 744 CA SER A 52 9.024 14.372 -8.798 1.00 0.00 C ATOM 745 C SER A 52 9.523 13.273 -7.864 1.00 0.00 C ATOM 746 O SER A 52 8.749 12.429 -7.413 1.00 0.00 O ATOM 747 CB SER A 52 9.285 15.744 -8.174 1.00 0.00 C ATOM 748 OG SER A 52 9.242 16.767 -9.154 1.00 0.00 O ATOM 0 H SER A 52 7.018 14.096 -8.255 1.00 0.00 H new ATOM 0 HA SER A 52 9.568 14.299 -9.740 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.541 15.944 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.259 15.745 -7.685 1.00 0.00 H new ATOM 0 HG SER A 52 8.316 16.905 -9.443 1.00 0.00 H new ATOM 754 N SER A 53 10.821 13.291 -7.579 1.00 0.00 N ATOM 755 CA SER A 53 11.425 12.295 -6.702 1.00 0.00 C ATOM 756 C SER A 53 11.426 12.775 -5.254 1.00 0.00 C ATOM 757 O SER A 53 12.183 13.665 -4.869 1.00 0.00 O ATOM 758 CB SER A 53 12.855 11.990 -7.151 1.00 0.00 C ATOM 759 OG SER A 53 12.863 11.216 -8.339 1.00 0.00 O ATOM 0 H SER A 53 11.475 13.984 -7.943 1.00 0.00 H new ATOM 0 HA SER A 53 10.830 11.384 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.394 12.923 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.381 11.454 -6.361 1.00 0.00 H new ATOM 0 HG SER A 53 13.789 11.036 -8.606 1.00 0.00 H new ATOM 765 N PRO A 54 10.556 12.171 -4.431 1.00 0.00 N ATOM 766 CA PRO A 54 10.436 12.519 -3.012 1.00 0.00 C ATOM 767 C PRO A 54 11.654 12.084 -2.204 1.00 0.00 C ATOM 768 O PRO A 54 12.215 12.866 -1.438 1.00 0.00 O ATOM 769 CB PRO A 54 9.192 11.749 -2.561 1.00 0.00 C ATOM 770 CG PRO A 54 9.095 10.601 -3.506 1.00 0.00 C ATOM 771 CD PRO A 54 9.622 11.101 -4.822 1.00 0.00 C ATOM 0 HA PRO A 54 10.365 13.596 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.290 11.407 -1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.301 12.375 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.678 9.752 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.064 10.261 -3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.126 10.311 -5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.822 11.479 -5.458 1.00 0.00 H new ATOM 779 N GLY A 55 12.058 10.829 -2.379 1.00 0.00 N ATOM 780 CA GLY A 55 13.207 10.312 -1.660 1.00 0.00 C ATOM 781 C GLY A 55 13.325 8.804 -1.762 1.00 0.00 C ATOM 782 O GLY A 55 12.563 8.164 -2.486 1.00 0.00 O ATOM 0 H GLY A 55 11.609 10.161 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.114 10.772 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.133 10.597 -0.611 1.00 0.00 H new ATOM 786 N GLU A 56 14.283 8.236 -1.037 1.00 0.00 N ATOM 787 CA GLU A 56 14.499 6.794 -1.053 1.00 0.00 C ATOM 788 C GLU A 56 13.198 6.046 -0.775 1.00 0.00 C ATOM 789 O GLU A 56 12.702 5.304 -1.622 1.00 0.00 O ATOM 790 CB GLU A 56 15.556 6.403 -0.017 1.00 0.00 C ATOM 791 CG GLU A 56 15.994 4.951 -0.113 1.00 0.00 C ATOM 792 CD GLU A 56 17.131 4.621 0.834 1.00 0.00 C ATOM 793 OE1 GLU A 56 18.171 5.312 0.775 1.00 0.00 O ATOM 794 OE2 GLU A 56 16.983 3.674 1.633 1.00 0.00 O ATOM 0 H GLU A 56 14.922 8.752 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 56 14.853 6.516 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.428 7.046 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.160 6.589 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.145 4.304 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.304 4.736 -1.136 1.00 0.00 H new ATOM 801 N LYS A 57 12.651 6.248 0.419 1.00 0.00 N ATOM 802 CA LYS A 57 11.407 5.594 0.811 1.00 0.00 C ATOM 803 C LYS A 57 10.502 6.559 1.570 1.00 0.00 C ATOM 804 O LYS A 57 10.803 6.951 2.698 1.00 0.00 O ATOM 805 CB LYS A 57 11.703 4.367 1.676 1.00 0.00 C ATOM 806 CG LYS A 57 12.521 3.303 0.964 1.00 0.00 C ATOM 807 CD LYS A 57 11.630 2.306 0.242 1.00 0.00 C ATOM 808 CE LYS A 57 12.445 1.352 -0.619 1.00 0.00 C ATOM 809 NZ LYS A 57 13.225 0.389 0.207 1.00 0.00 N ATOM 0 H LYS A 57 13.049 6.859 1.132 1.00 0.00 H new ATOM 0 HA LYS A 57 10.891 5.276 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.237 4.685 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.761 3.929 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.193 3.777 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.145 2.778 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.053 1.737 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.915 2.841 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.778 0.803 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.125 1.924 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.767 -0.244 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.880 0.911 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.574 -0.174 0.791 1.00 0.00 H new ATOM 823 N VAL A 58 9.391 6.936 0.946 1.00 0.00 N ATOM 824 CA VAL A 58 8.440 7.853 1.564 1.00 0.00 C ATOM 825 C VAL A 58 7.065 7.209 1.699 1.00 0.00 C ATOM 826 O VAL A 58 6.418 7.314 2.741 1.00 0.00 O ATOM 827 CB VAL A 58 8.308 9.155 0.753 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.631 9.906 0.728 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.828 8.857 -0.659 1.00 0.00 C ATOM 0 H VAL A 58 9.127 6.621 0.013 1.00 0.00 H new ATOM 0 HA VAL A 58 8.826 8.089 2.555 1.00 0.00 H new ATOM 0 HB VAL A 58 7.567 9.790 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.518 10.823 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.928 10.153 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.396 9.280 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.740 9.789 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.544 8.202 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.856 8.367 -0.617 1.00 0.00 H new ATOM 839 N PHE A 59 6.623 6.542 0.638 1.00 0.00 N ATOM 840 CA PHE A 59 5.324 5.881 0.637 1.00 0.00 C ATOM 841 C PHE A 59 5.474 4.385 0.898 1.00 0.00 C ATOM 842 O PHE A 59 5.987 3.647 0.057 1.00 0.00 O ATOM 843 CB PHE A 59 4.613 6.108 -0.698 1.00 0.00 C ATOM 844 CG PHE A 59 4.106 7.510 -0.876 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.076 7.995 -0.085 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.658 8.344 -1.835 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.607 9.285 -0.246 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.194 9.635 -2.000 1.00 0.00 C ATOM 849 CZ PHE A 59 3.166 10.106 -1.206 1.00 0.00 C ATOM 0 H PHE A 59 7.146 6.445 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 59 4.725 6.313 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.300 5.873 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.776 5.415 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.635 7.357 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.460 7.981 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.805 9.651 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.635 10.276 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.800 11.114 -1.336 1.00 0.00 H new ATOM 859 N GLN A 60 5.024 3.946 2.069 1.00 0.00 N ATOM 860 CA GLN A 60 5.110 2.539 2.441 1.00 0.00 C ATOM 861 C GLN A 60 3.763 1.845 2.262 1.00 0.00 C ATOM 862 O GLN A 60 2.713 2.486 2.297 1.00 0.00 O ATOM 863 CB GLN A 60 5.579 2.400 3.890 1.00 0.00 C ATOM 864 CG GLN A 60 6.161 1.033 4.214 1.00 0.00 C ATOM 865 CD GLN A 60 5.112 0.056 4.708 1.00 0.00 C ATOM 866 OE1 GLN A 60 3.940 0.404 4.849 1.00 0.00 O ATOM 867 NE2 GLN A 60 5.530 -1.177 4.973 1.00 0.00 N ATOM 0 H GLN A 60 4.596 4.544 2.776 1.00 0.00 H new ATOM 0 HA GLN A 60 5.836 2.060 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.330 3.163 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.738 2.594 4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.641 0.626 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.936 1.143 4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.511 -1.422 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.870 -1.879 5.308 1.00 0.00 H new ATOM 876 N VAL A 61 3.801 0.530 2.069 1.00 0.00 N ATOM 877 CA VAL A 61 2.584 -0.251 1.886 1.00 0.00 C ATOM 878 C VAL A 61 2.655 -1.568 2.651 1.00 0.00 C ATOM 879 O VAL A 61 3.686 -2.242 2.654 1.00 0.00 O ATOM 880 CB VAL A 61 2.328 -0.549 0.396 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.017 -1.300 0.219 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.327 0.740 -0.412 1.00 0.00 C ATOM 0 H VAL A 61 4.662 -0.016 2.035 1.00 0.00 H new ATOM 0 HA VAL A 61 1.762 0.348 2.276 1.00 0.00 H new ATOM 0 HB VAL A 61 3.134 -1.182 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.853 -1.502 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.061 -2.242 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.196 -0.695 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.145 0.511 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.542 1.400 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.294 1.234 -0.311 1.00 0.00 H new ATOM 892 N LYS A 62 1.553 -1.930 3.298 1.00 0.00 N ATOM 893 CA LYS A 62 1.488 -3.167 4.067 1.00 0.00 C ATOM 894 C LYS A 62 0.273 -3.996 3.661 1.00 0.00 C ATOM 895 O LYS A 62 -0.811 -3.458 3.437 1.00 0.00 O ATOM 896 CB LYS A 62 1.432 -2.859 5.565 1.00 0.00 C ATOM 897 CG LYS A 62 1.390 -4.100 6.439 1.00 0.00 C ATOM 898 CD LYS A 62 2.779 -4.680 6.650 1.00 0.00 C ATOM 899 CE LYS A 62 2.767 -5.789 7.692 1.00 0.00 C ATOM 900 NZ LYS A 62 2.205 -7.055 7.147 1.00 0.00 N ATOM 0 H LYS A 62 0.692 -1.384 3.305 1.00 0.00 H new ATOM 0 HA LYS A 62 2.388 -3.745 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.302 -2.262 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.551 -2.250 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.948 -3.852 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.748 -4.850 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.159 -5.070 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.460 -3.890 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.783 -5.965 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.179 -5.472 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.214 -7.786 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.227 -6.893 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.781 -7.372 6.341 1.00 0.00 H new ATOM 914 N VAL A 63 0.462 -5.309 3.570 1.00 0.00 N ATOM 915 CA VAL A 63 -0.619 -6.212 3.195 1.00 0.00 C ATOM 916 C VAL A 63 -0.743 -7.363 4.187 1.00 0.00 C ATOM 917 O VAL A 63 0.203 -8.124 4.393 1.00 0.00 O ATOM 918 CB VAL A 63 -0.404 -6.787 1.782 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.368 -7.935 1.520 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.563 -5.697 0.733 1.00 0.00 C ATOM 0 H VAL A 63 1.354 -5.770 3.751 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.539 -5.627 3.206 1.00 0.00 H new ATOM 0 HB VAL A 63 0.612 -7.176 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.201 -8.328 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.201 -8.725 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.394 -7.575 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.408 -6.121 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.567 -5.276 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.171 -4.911 0.911 1.00 0.00 H new ATOM 930 N SER A 64 -1.917 -7.486 4.799 1.00 0.00 N ATOM 931 CA SER A 64 -2.164 -8.543 5.772 1.00 0.00 C ATOM 932 C SER A 64 -3.585 -9.081 5.640 1.00 0.00 C ATOM 933 O SER A 64 -4.481 -8.389 5.157 1.00 0.00 O ATOM 934 CB SER A 64 -1.934 -8.021 7.192 1.00 0.00 C ATOM 935 OG SER A 64 -1.561 -9.072 8.067 1.00 0.00 O ATOM 0 H SER A 64 -2.711 -6.867 4.638 1.00 0.00 H new ATOM 0 HA SER A 64 -1.466 -9.357 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.155 -7.259 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.842 -7.543 7.559 1.00 0.00 H new ATOM 0 HG SER A 64 -1.418 -8.713 8.968 1.00 0.00 H new ATOM 941 N ALA A 65 -3.784 -10.321 6.074 1.00 0.00 N ATOM 942 CA ALA A 65 -5.096 -10.953 6.007 1.00 0.00 C ATOM 943 C ALA A 65 -5.748 -11.013 7.384 1.00 0.00 C ATOM 944 O ALA A 65 -5.094 -11.268 8.396 1.00 0.00 O ATOM 945 CB ALA A 65 -4.980 -12.350 5.414 1.00 0.00 C ATOM 0 H ALA A 65 -3.053 -10.908 6.476 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.730 -10.347 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.967 -12.810 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.565 -12.285 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.325 -12.957 6.038 1.00 0.00 H new ATOM 951 N PRO A 66 -7.067 -10.773 7.427 1.00 0.00 N ATOM 952 CA PRO A 66 -7.836 -10.795 8.675 1.00 0.00 C ATOM 953 C PRO A 66 -7.974 -12.202 9.246 1.00 0.00 C ATOM 954 O PRO A 66 -7.695 -12.433 10.422 1.00 0.00 O ATOM 955 CB PRO A 66 -9.204 -10.250 8.258 1.00 0.00 C ATOM 956 CG PRO A 66 -9.308 -10.559 6.804 1.00 0.00 C ATOM 957 CD PRO A 66 -7.910 -10.463 6.259 1.00 0.00 C ATOM 0 HA PRO A 66 -7.353 -10.216 9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.008 -10.724 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.276 -9.178 8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.721 -11.555 6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.972 -9.855 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.746 -11.170 5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.700 -9.469 5.864 1.00 0.00 H new ATOM 965 N GLU A 67 -8.406 -13.137 8.406 1.00 0.00 N ATOM 966 CA GLU A 67 -8.581 -14.521 8.830 1.00 0.00 C ATOM 967 C GLU A 67 -7.234 -15.228 8.949 1.00 0.00 C ATOM 968 O GLU A 67 -6.783 -15.544 10.050 1.00 0.00 O ATOM 969 CB GLU A 67 -9.477 -15.271 7.842 1.00 0.00 C ATOM 970 CG GLU A 67 -10.287 -16.387 8.480 1.00 0.00 C ATOM 971 CD GLU A 67 -11.429 -16.856 7.599 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.183 -17.135 6.407 1.00 0.00 O ATOM 973 OE2 GLU A 67 -12.568 -16.946 8.103 1.00 0.00 O ATOM 0 H GLU A 67 -8.641 -12.962 7.429 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.057 -14.516 9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.159 -14.562 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.858 -15.691 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.630 -17.230 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.687 -16.041 9.433 1.00 0.00 H new ATOM 980 N GLU A 68 -6.598 -15.474 7.808 1.00 0.00 N ATOM 981 CA GLU A 68 -5.304 -16.145 7.785 1.00 0.00 C ATOM 982 C GLU A 68 -4.435 -15.691 8.954 1.00 0.00 C ATOM 983 O GLU A 68 -4.181 -14.499 9.126 1.00 0.00 O ATOM 984 CB GLU A 68 -4.584 -15.867 6.463 1.00 0.00 C ATOM 985 CG GLU A 68 -5.064 -16.738 5.314 1.00 0.00 C ATOM 986 CD GLU A 68 -4.480 -16.318 3.980 1.00 0.00 C ATOM 987 OE1 GLU A 68 -3.239 -16.234 3.875 1.00 0.00 O ATOM 988 OE2 GLU A 68 -5.265 -16.073 3.040 1.00 0.00 O ATOM 0 H GLU A 68 -6.958 -15.219 6.888 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.478 -17.217 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.723 -14.819 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.514 -16.021 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.796 -17.776 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.152 -16.695 5.260 1.00 0.00 H new ATOM 995 N GLN A 69 -3.983 -16.651 9.755 1.00 0.00 N ATOM 996 CA GLN A 69 -3.144 -16.350 10.909 1.00 0.00 C ATOM 997 C GLN A 69 -1.769 -15.858 10.469 1.00 0.00 C ATOM 998 O GLN A 69 -1.300 -14.812 10.919 1.00 0.00 O ATOM 999 CB GLN A 69 -2.995 -17.589 11.795 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.017 -17.402 12.944 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.275 -18.359 14.091 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -3.117 -19.252 13.992 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -1.548 -18.178 15.187 1.00 0.00 N ATOM 0 H GLN A 69 -4.184 -17.643 9.626 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.628 -15.558 11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.971 -17.855 12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.665 -18.427 11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.000 -17.545 12.578 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.083 -16.377 13.309 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.861 -17.425 15.225 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.676 -18.792 15.991 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.128 -16.618 9.588 1.00 0.00 N ATOM 1013 CA PHE A 70 0.194 -16.259 9.088 1.00 0.00 C ATOM 1014 C PHE A 70 0.153 -15.986 7.588 1.00 0.00 C ATOM 1015 O PHE A 70 -0.407 -16.767 6.817 1.00 0.00 O ATOM 1016 CB PHE A 70 1.196 -17.376 9.387 1.00 0.00 C ATOM 1017 CG PHE A 70 0.992 -18.605 8.548 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.078 -19.575 8.928 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.714 -18.791 7.380 1.00 0.00 C ATOM 1020 CE1 PHE A 70 -0.113 -20.707 8.158 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.527 -19.920 6.606 1.00 0.00 C ATOM 1022 CZ PHE A 70 0.613 -20.880 6.997 1.00 0.00 C ATOM 0 H PHE A 70 -1.502 -17.486 9.205 1.00 0.00 H new ATOM 0 HA PHE A 70 0.512 -15.349 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.206 -17.000 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.121 -17.648 10.440 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.492 -19.445 9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.431 -18.045 7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.829 -21.455 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.094 -20.052 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.467 -21.765 6.395 1.00 0.00 H new ATOM 1032 N THR A 71 0.749 -14.871 7.178 1.00 0.00 N ATOM 1033 CA THR A 71 0.780 -14.493 5.771 1.00 0.00 C ATOM 1034 C THR A 71 2.205 -14.216 5.306 1.00 0.00 C ATOM 1035 O THR A 71 3.005 -13.635 6.040 1.00 0.00 O ATOM 1036 CB THR A 71 -0.085 -13.246 5.506 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.397 -13.436 6.046 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.182 -12.962 4.014 1.00 0.00 C ATOM 0 H THR A 71 1.217 -14.213 7.801 1.00 0.00 H new ATOM 0 HA THR A 71 0.375 -15.335 5.209 1.00 0.00 H new ATOM 0 HB THR A 71 0.388 -12.393 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.940 -12.638 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.798 -12.077 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.816 -12.789 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.634 -13.816 3.510 1.00 0.00 H new ATOM 1046 N ARG A 72 2.516 -14.636 4.084 1.00 0.00 N ATOM 1047 CA ARG A 72 3.846 -14.434 3.522 1.00 0.00 C ATOM 1048 C ARG A 72 3.775 -13.608 2.241 1.00 0.00 C ATOM 1049 O ARG A 72 3.681 -14.154 1.142 1.00 0.00 O ATOM 1050 CB ARG A 72 4.512 -15.781 3.237 1.00 0.00 C ATOM 1051 CG ARG A 72 5.986 -15.669 2.885 1.00 0.00 C ATOM 1052 CD ARG A 72 6.510 -16.954 2.264 1.00 0.00 C ATOM 1053 NE ARG A 72 6.951 -17.911 3.276 1.00 0.00 N ATOM 1054 CZ ARG A 72 7.761 -18.932 3.020 1.00 0.00 C ATOM 1055 NH1 ARG A 72 8.218 -19.127 1.790 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.117 -19.759 3.994 1.00 0.00 N ATOM 0 H ARG A 72 1.865 -15.118 3.464 1.00 0.00 H new ATOM 0 HA ARG A 72 4.443 -13.889 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.404 -16.423 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.987 -16.270 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.133 -14.842 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.559 -15.438 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.729 -17.406 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.341 -16.722 1.598 1.00 0.00 H new ATOM 0 HE ARG A 72 6.618 -17.788 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.947 -18.492 1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.840 -19.912 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.769 -19.611 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.739 -20.543 3.796 1.00 0.00 H new ATOM 1070 N VAL A 73 3.820 -12.288 2.391 1.00 0.00 N ATOM 1071 CA VAL A 73 3.761 -11.386 1.247 1.00 0.00 C ATOM 1072 C VAL A 73 5.050 -10.582 1.115 1.00 0.00 C ATOM 1073 O VAL A 73 5.511 -9.966 2.075 1.00 0.00 O ATOM 1074 CB VAL A 73 2.572 -10.414 1.359 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.534 -9.476 0.162 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.266 -11.183 1.485 1.00 0.00 C ATOM 0 H VAL A 73 3.897 -11.820 3.294 1.00 0.00 H new ATOM 0 HA VAL A 73 3.630 -12.007 0.361 1.00 0.00 H new ATOM 0 HB VAL A 73 2.701 -9.812 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.687 -8.797 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.459 -8.900 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.429 -10.058 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.436 -10.481 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.128 -11.812 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.297 -11.809 2.377 1.00 0.00 H new ATOM 1086 N GLY A 74 5.627 -10.592 -0.083 1.00 0.00 N ATOM 1087 CA GLY A 74 6.857 -9.860 -0.320 1.00 0.00 C ATOM 1088 C GLY A 74 6.616 -8.521 -0.988 1.00 0.00 C ATOM 1089 O GLY A 74 6.778 -8.385 -2.201 1.00 0.00 O ATOM 0 H GLY A 74 5.264 -11.094 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.371 -9.702 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.519 -10.460 -0.945 1.00 0.00 H new ATOM 1093 N VAL A 75 6.225 -7.528 -0.195 1.00 0.00 N ATOM 1094 CA VAL A 75 5.960 -6.192 -0.717 1.00 0.00 C ATOM 1095 C VAL A 75 7.257 -5.464 -1.050 1.00 0.00 C ATOM 1096 O VAL A 75 8.162 -5.379 -0.220 1.00 0.00 O ATOM 1097 CB VAL A 75 5.153 -5.348 0.287 1.00 0.00 C ATOM 1098 CG1 VAL A 75 5.001 -3.920 -0.216 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.792 -5.979 0.541 1.00 0.00 C ATOM 0 H VAL A 75 6.085 -7.623 0.811 1.00 0.00 H new ATOM 0 HA VAL A 75 5.375 -6.318 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 75 5.697 -5.320 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.428 -3.339 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.987 -3.472 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.479 -3.925 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.235 -5.369 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.238 -6.039 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.926 -6.981 0.948 1.00 0.00 H new ATOM 1109 N GLN A 76 7.340 -4.941 -2.269 1.00 0.00 N ATOM 1110 CA GLN A 76 8.528 -4.220 -2.711 1.00 0.00 C ATOM 1111 C GLN A 76 8.165 -2.821 -3.198 1.00 0.00 C ATOM 1112 O GLN A 76 7.502 -2.661 -4.222 1.00 0.00 O ATOM 1113 CB GLN A 76 9.234 -4.994 -3.825 1.00 0.00 C ATOM 1114 CG GLN A 76 10.509 -4.326 -4.315 1.00 0.00 C ATOM 1115 CD GLN A 76 11.167 -5.086 -5.450 1.00 0.00 C ATOM 1116 OE1 GLN A 76 10.582 -5.255 -6.520 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.390 -5.549 -5.223 1.00 0.00 N ATOM 0 H GLN A 76 6.599 -5.003 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 76 9.203 -4.125 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.473 -5.995 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.549 -5.112 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.280 -3.313 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.211 -4.239 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.838 -5.386 -4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.882 -6.068 -5.950 1.00 0.00 H new ATOM 1126 N VAL A 77 8.605 -1.809 -2.456 1.00 0.00 N ATOM 1127 CA VAL A 77 8.328 -0.423 -2.813 1.00 0.00 C ATOM 1128 C VAL A 77 9.436 0.152 -3.687 1.00 0.00 C ATOM 1129 O VAL A 77 10.535 0.435 -3.209 1.00 0.00 O ATOM 1130 CB VAL A 77 8.169 0.458 -1.559 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.968 1.914 -1.952 1.00 0.00 C ATOM 1132 CG2 VAL A 77 7.012 -0.037 -0.704 1.00 0.00 C ATOM 0 H VAL A 77 9.155 -1.923 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 77 7.392 -0.421 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 77 9.083 0.389 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.858 2.521 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.831 2.260 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.071 2.005 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.914 0.597 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.089 0.001 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.203 -1.064 -0.393 1.00 0.00 H new ATOM 1142 N LEU A 78 9.141 0.322 -4.971 1.00 0.00 N ATOM 1143 CA LEU A 78 10.112 0.865 -5.914 1.00 0.00 C ATOM 1144 C LEU A 78 9.479 1.942 -6.790 1.00 0.00 C ATOM 1145 O LEU A 78 8.297 1.867 -7.126 1.00 0.00 O ATOM 1146 CB LEU A 78 10.680 -0.253 -6.791 1.00 0.00 C ATOM 1147 CG LEU A 78 11.921 0.102 -7.611 1.00 0.00 C ATOM 1148 CD1 LEU A 78 13.120 0.313 -6.700 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.212 -0.985 -8.636 1.00 0.00 C ATOM 0 H LEU A 78 8.237 0.092 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 78 10.922 1.318 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.922 -1.102 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.899 -0.583 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 78 11.727 1.033 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.994 0.565 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.911 1.127 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.316 -0.601 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.098 -0.716 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.385 -1.931 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.361 -1.088 -9.309 1.00 0.00 H new ATOM 1161 N ASP A 79 10.274 2.941 -7.157 1.00 0.00 N ATOM 1162 CA ASP A 79 9.793 4.032 -7.996 1.00 0.00 C ATOM 1163 C ASP A 79 10.267 3.860 -9.436 1.00 0.00 C ATOM 1164 O ASP A 79 11.443 3.593 -9.685 1.00 0.00 O ATOM 1165 CB ASP A 79 10.271 5.376 -7.446 1.00 0.00 C ATOM 1166 CG ASP A 79 10.462 6.413 -8.536 1.00 0.00 C ATOM 1167 OD1 ASP A 79 9.485 7.120 -8.860 1.00 0.00 O ATOM 1168 OD2 ASP A 79 11.588 6.517 -9.064 1.00 0.00 O ATOM 0 H ASP A 79 11.254 3.018 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 79 8.703 4.011 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.548 5.746 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.212 5.234 -6.915 1.00 0.00 H new ATOM 1173 N ARG A 80 9.344 4.013 -10.380 1.00 0.00 N ATOM 1174 CA ARG A 80 9.667 3.872 -11.795 1.00 0.00 C ATOM 1175 C ARG A 80 10.052 5.218 -12.401 1.00 0.00 C ATOM 1176 O ARG A 80 9.713 5.515 -13.546 1.00 0.00 O ATOM 1177 CB ARG A 80 8.478 3.280 -12.554 1.00 0.00 C ATOM 1178 CG ARG A 80 7.829 2.101 -11.847 1.00 0.00 C ATOM 1179 CD ARG A 80 8.593 0.811 -12.100 1.00 0.00 C ATOM 1180 NE ARG A 80 8.707 0.512 -13.525 1.00 0.00 N ATOM 1181 CZ ARG A 80 9.277 -0.589 -14.002 1.00 0.00 C ATOM 1182 NH1 ARG A 80 9.781 -1.491 -13.172 1.00 0.00 N ATOM 1183 NH2 ARG A 80 9.343 -0.789 -15.312 1.00 0.00 N ATOM 0 H ARG A 80 8.367 4.235 -10.191 1.00 0.00 H new ATOM 0 HA ARG A 80 10.518 3.197 -11.883 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.730 4.059 -12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.811 2.962 -13.542 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.787 2.296 -10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.801 1.990 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.590 0.889 -11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.089 -0.014 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 80 8.328 1.186 -14.191 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.732 -1.341 -12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.218 -2.336 -13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.956 -0.097 -15.954 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.781 -1.635 -15.677 1.00 0.00 H new ATOM 1197 N LYS A 81 10.763 6.029 -11.624 1.00 0.00 N ATOM 1198 CA LYS A 81 11.196 7.343 -12.083 1.00 0.00 C ATOM 1199 C LYS A 81 10.145 7.977 -12.988 1.00 0.00 C ATOM 1200 O LYS A 81 10.476 8.671 -13.949 1.00 0.00 O ATOM 1201 CB LYS A 81 12.527 7.232 -12.830 1.00 0.00 C ATOM 1202 CG LYS A 81 13.695 6.850 -11.938 1.00 0.00 C ATOM 1203 CD LYS A 81 14.113 8.004 -11.042 1.00 0.00 C ATOM 1204 CE LYS A 81 15.108 8.919 -11.739 1.00 0.00 C ATOM 1205 NZ LYS A 81 15.289 10.203 -11.006 1.00 0.00 N ATOM 0 H LYS A 81 11.051 5.799 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 81 11.329 7.980 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.428 6.490 -13.623 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.745 8.186 -13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.420 5.993 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.540 6.542 -12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.233 8.577 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.556 7.613 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.069 8.412 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.764 9.125 -12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.974 10.799 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.377 10.700 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.642 10.009 -10.047 1.00 0.00 H new ATOM 1219 N ASP A 82 8.877 7.735 -12.674 1.00 0.00 N ATOM 1220 CA ASP A 82 7.777 8.285 -13.457 1.00 0.00 C ATOM 1221 C ASP A 82 6.929 9.232 -12.614 1.00 0.00 C ATOM 1222 O ASP A 82 5.751 9.446 -12.897 1.00 0.00 O ATOM 1223 CB ASP A 82 6.905 7.158 -14.013 1.00 0.00 C ATOM 1224 CG ASP A 82 5.837 7.666 -14.962 1.00 0.00 C ATOM 1225 OD1 ASP A 82 6.133 7.804 -16.168 1.00 0.00 O ATOM 1226 OD2 ASP A 82 4.707 7.924 -14.500 1.00 0.00 O ATOM 0 H ASP A 82 8.586 7.161 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 82 8.202 8.849 -14.287 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.536 6.437 -14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.431 6.628 -13.187 1.00 0.00 H new ATOM 1231 N GLY A 83 7.537 9.797 -11.575 1.00 0.00 N ATOM 1232 CA GLY A 83 6.823 10.714 -10.706 1.00 0.00 C ATOM 1233 C GLY A 83 6.115 10.002 -9.570 1.00 0.00 C ATOM 1234 O GLY A 83 6.090 10.493 -8.441 1.00 0.00 O ATOM 0 H GLY A 83 8.511 9.636 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.524 11.441 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.093 11.272 -11.292 1.00 0.00 H new ATOM 1238 N SER A 84 5.536 8.844 -9.869 1.00 0.00 N ATOM 1239 CA SER A 84 4.818 8.066 -8.866 1.00 0.00 C ATOM 1240 C SER A 84 5.608 6.820 -8.478 1.00 0.00 C ATOM 1241 O SER A 84 6.638 6.512 -9.077 1.00 0.00 O ATOM 1242 CB SER A 84 3.438 7.667 -9.390 1.00 0.00 C ATOM 1243 OG SER A 84 3.540 6.994 -10.633 1.00 0.00 O ATOM 0 H SER A 84 5.550 8.423 -10.798 1.00 0.00 H new ATOM 0 HA SER A 84 4.695 8.688 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.942 7.023 -8.664 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.818 8.556 -9.504 1.00 0.00 H new ATOM 0 HG SER A 84 2.645 6.748 -10.946 1.00 0.00 H new ATOM 1249 N PHE A 85 5.116 6.106 -7.470 1.00 0.00 N ATOM 1250 CA PHE A 85 5.775 4.893 -7.000 1.00 0.00 C ATOM 1251 C PHE A 85 4.908 3.665 -7.265 1.00 0.00 C ATOM 1252 O PHE A 85 3.683 3.763 -7.342 1.00 0.00 O ATOM 1253 CB PHE A 85 6.083 5.001 -5.505 1.00 0.00 C ATOM 1254 CG PHE A 85 7.381 5.697 -5.209 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.601 6.994 -5.643 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.381 5.054 -4.497 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.795 7.636 -5.373 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.576 5.691 -4.224 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.783 6.985 -4.661 1.00 0.00 C ATOM 0 H PHE A 85 4.264 6.347 -6.964 1.00 0.00 H new ATOM 0 HA PHE A 85 6.710 4.781 -7.549 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.272 5.538 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.110 4.000 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.831 7.509 -6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.224 4.043 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.955 8.647 -5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.348 5.178 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.715 7.486 -4.446 1.00 0.00 H new ATOM 1269 N ILE A 86 5.553 2.512 -7.403 1.00 0.00 N ATOM 1270 CA ILE A 86 4.841 1.266 -7.659 1.00 0.00 C ATOM 1271 C ILE A 86 5.064 0.264 -6.531 1.00 0.00 C ATOM 1272 O ILE A 86 6.096 0.287 -5.860 1.00 0.00 O ATOM 1273 CB ILE A 86 5.281 0.629 -8.990 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.284 -0.449 -9.419 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.680 0.043 -8.860 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.455 -1.759 -8.682 1.00 0.00 C ATOM 0 H ILE A 86 6.566 2.414 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 86 3.781 1.515 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 86 5.302 1.403 -9.757 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.271 -0.080 -9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.392 -0.627 -10.489 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.977 -0.404 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.382 0.833 -8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.684 -0.721 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.715 -2.476 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.456 -2.151 -8.864 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.318 -1.596 -7.613 1.00 0.00 H new ATOM 1288 N VAL A 87 4.089 -0.616 -6.327 1.00 0.00 N ATOM 1289 CA VAL A 87 4.180 -1.629 -5.282 1.00 0.00 C ATOM 1290 C VAL A 87 3.987 -3.029 -5.855 1.00 0.00 C ATOM 1291 O VAL A 87 2.982 -3.311 -6.507 1.00 0.00 O ATOM 1292 CB VAL A 87 3.133 -1.390 -4.177 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.292 -2.412 -3.062 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.247 0.026 -3.634 1.00 0.00 C ATOM 0 H VAL A 87 3.227 -0.648 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 87 5.178 -1.551 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 87 2.139 -1.510 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.544 -2.228 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.157 -3.415 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.289 -2.326 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.500 0.178 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.243 0.177 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.080 0.740 -4.441 1.00 0.00 H new ATOM 1304 N ARG A 88 4.957 -3.902 -5.606 1.00 0.00 N ATOM 1305 CA ARG A 88 4.895 -5.273 -6.098 1.00 0.00 C ATOM 1306 C ARG A 88 4.933 -6.268 -4.941 1.00 0.00 C ATOM 1307 O ARG A 88 5.796 -6.186 -4.066 1.00 0.00 O ATOM 1308 CB ARG A 88 6.055 -5.547 -7.057 1.00 0.00 C ATOM 1309 CG ARG A 88 5.727 -5.246 -8.510 1.00 0.00 C ATOM 1310 CD ARG A 88 6.878 -5.618 -9.431 1.00 0.00 C ATOM 1311 NE ARG A 88 6.938 -7.056 -9.679 1.00 0.00 N ATOM 1312 CZ ARG A 88 7.895 -7.640 -10.391 1.00 0.00 C ATOM 1313 NH1 ARG A 88 8.868 -6.913 -10.922 1.00 0.00 N ATOM 1314 NH2 ARG A 88 7.881 -8.954 -10.572 1.00 0.00 N ATOM 0 H ARG A 88 5.795 -3.685 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 88 3.953 -5.398 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.914 -4.948 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.349 -6.593 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.833 -5.796 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.500 -4.186 -8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.769 -5.091 -10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.818 -5.287 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 88 6.204 -7.644 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.883 -5.902 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.602 -7.364 -11.468 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.135 -9.517 -10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.617 -9.401 -11.119 1.00 0.00 H new ATOM 1328 N TYR A 89 3.993 -7.206 -4.943 1.00 0.00 N ATOM 1329 CA TYR A 89 3.917 -8.215 -3.893 1.00 0.00 C ATOM 1330 C TYR A 89 3.620 -9.591 -4.480 1.00 0.00 C ATOM 1331 O TYR A 89 2.761 -9.735 -5.350 1.00 0.00 O ATOM 1332 CB TYR A 89 2.839 -7.839 -2.874 1.00 0.00 C ATOM 1333 CG TYR A 89 1.449 -7.765 -3.462 1.00 0.00 C ATOM 1334 CD1 TYR A 89 0.630 -8.887 -3.505 1.00 0.00 C ATOM 1335 CD2 TYR A 89 0.953 -6.573 -3.975 1.00 0.00 C ATOM 1336 CE1 TYR A 89 -0.641 -8.824 -4.042 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.318 -6.500 -4.513 1.00 0.00 C ATOM 1338 CZ TYR A 89 -1.110 -7.628 -4.545 1.00 0.00 C ATOM 1339 OH TYR A 89 -2.376 -7.561 -5.080 1.00 0.00 O ATOM 0 H TYR A 89 3.273 -7.289 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 89 4.884 -8.255 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.844 -8.571 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.089 -6.874 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.994 -9.825 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.571 -5.688 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.264 -9.706 -4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.689 -5.565 -4.906 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.363 -6.996 -5.881 1.00 0.00 H new ATOM 1349 N ARG A 90 4.337 -10.600 -3.997 1.00 0.00 N ATOM 1350 CA ARG A 90 4.152 -11.966 -4.473 1.00 0.00 C ATOM 1351 C ARG A 90 3.165 -12.721 -3.588 1.00 0.00 C ATOM 1352 O ARG A 90 3.070 -12.464 -2.388 1.00 0.00 O ATOM 1353 CB ARG A 90 5.492 -12.703 -4.506 1.00 0.00 C ATOM 1354 CG ARG A 90 5.371 -14.169 -4.888 1.00 0.00 C ATOM 1355 CD ARG A 90 6.631 -14.943 -4.533 1.00 0.00 C ATOM 1356 NE ARG A 90 7.789 -14.483 -5.294 1.00 0.00 N ATOM 1357 CZ ARG A 90 8.999 -15.022 -5.190 1.00 0.00 C ATOM 1358 NH1 ARG A 90 9.207 -16.036 -4.362 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.003 -14.548 -5.917 1.00 0.00 N ATOM 0 H ARG A 90 5.052 -10.498 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 90 3.746 -11.920 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.154 -12.205 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.962 -12.629 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.516 -14.610 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.180 -14.253 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.833 -14.838 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.470 -16.004 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 90 7.662 -13.705 -5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.437 -16.404 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.137 -16.448 -4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.846 -13.769 -6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.931 -14.963 -5.836 1.00 0.00 H new ATOM 1373 N MET A 91 2.433 -13.653 -4.189 1.00 0.00 N ATOM 1374 CA MET A 91 1.454 -14.446 -3.454 1.00 0.00 C ATOM 1375 C MET A 91 1.173 -15.763 -4.171 1.00 0.00 C ATOM 1376 O MET A 91 0.907 -15.783 -5.373 1.00 0.00 O ATOM 1377 CB MET A 91 0.153 -13.659 -3.283 1.00 0.00 C ATOM 1378 CG MET A 91 -0.627 -14.039 -2.035 1.00 0.00 C ATOM 1379 SD MET A 91 -1.593 -12.667 -1.375 1.00 0.00 S ATOM 1380 CE MET A 91 -3.226 -13.401 -1.313 1.00 0.00 C ATOM 0 H MET A 91 2.499 -13.878 -5.182 1.00 0.00 H new ATOM 0 HA MET A 91 1.868 -14.668 -2.471 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.384 -12.594 -3.247 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.477 -13.819 -4.158 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.294 -14.869 -2.267 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.066 -14.391 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 91 -3.954 -12.703 -1.727 1.00 0.00 H new ATOM 0 HE2 MET A 91 -3.233 -14.322 -1.896 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.485 -13.625 -0.278 1.00 0.00 H new ATOM 1390 N TYR A 92 1.235 -16.862 -3.427 1.00 0.00 N ATOM 1391 CA TYR A 92 0.990 -18.183 -3.992 1.00 0.00 C ATOM 1392 C TYR A 92 -0.003 -18.966 -3.138 1.00 0.00 C ATOM 1393 O TYR A 92 0.189 -20.152 -2.874 1.00 0.00 O ATOM 1394 CB TYR A 92 2.302 -18.961 -4.111 1.00 0.00 C ATOM 1395 CG TYR A 92 3.102 -18.614 -5.346 1.00 0.00 C ATOM 1396 CD1 TYR A 92 2.589 -18.844 -6.617 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.370 -18.056 -5.242 1.00 0.00 C ATOM 1398 CE1 TYR A 92 3.317 -18.529 -7.748 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.104 -17.737 -6.368 1.00 0.00 C ATOM 1400 CZ TYR A 92 4.574 -17.976 -7.618 1.00 0.00 C ATOM 1401 OH TYR A 92 5.301 -17.660 -8.743 1.00 0.00 O ATOM 0 H TYR A 92 1.453 -16.864 -2.431 1.00 0.00 H new ATOM 0 HA TYR A 92 0.562 -18.051 -4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.911 -18.767 -3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.082 -20.029 -4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.605 -19.276 -6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.789 -17.868 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.904 -18.715 -8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.088 -17.303 -6.270 1.00 0.00 H new ATOM 0 HH TYR A 92 6.164 -17.278 -8.478 1.00 0.00 H new ATOM 1411 N ALA A 93 -1.065 -18.291 -2.710 1.00 0.00 N ATOM 1412 CA ALA A 93 -2.090 -18.923 -1.888 1.00 0.00 C ATOM 1413 C ALA A 93 -3.473 -18.366 -2.212 1.00 0.00 C ATOM 1414 O ALA A 93 -3.598 -17.290 -2.795 1.00 0.00 O ATOM 1415 CB ALA A 93 -1.775 -18.732 -0.412 1.00 0.00 C ATOM 0 H ALA A 93 -1.238 -17.308 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.094 -19.990 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.549 -19.209 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.809 -19.183 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.741 -17.667 -0.182 1.00 0.00 H new ATOM 1421 N SER A 94 -4.508 -19.107 -1.830 1.00 0.00 N ATOM 1422 CA SER A 94 -5.882 -18.689 -2.084 1.00 0.00 C ATOM 1423 C SER A 94 -6.100 -17.244 -1.647 1.00 0.00 C ATOM 1424 O SER A 94 -5.921 -16.903 -0.477 1.00 0.00 O ATOM 1425 CB SER A 94 -6.861 -19.608 -1.350 1.00 0.00 C ATOM 1426 OG SER A 94 -6.810 -20.926 -1.870 1.00 0.00 O ATOM 0 H SER A 94 -4.422 -19.999 -1.344 1.00 0.00 H new ATOM 0 HA SER A 94 -6.064 -18.758 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.623 -19.624 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.874 -19.215 -1.444 1.00 0.00 H new ATOM 0 HG SER A 94 -7.443 -21.494 -1.384 1.00 0.00 H new ATOM 1432 N TYR A 95 -6.487 -16.398 -2.595 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.727 -14.988 -2.310 1.00 0.00 C ATOM 1434 C TYR A 95 -8.218 -14.669 -2.355 1.00 0.00 C ATOM 1435 O TYR A 95 -8.816 -14.587 -3.428 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.975 -14.109 -3.311 1.00 0.00 C ATOM 1437 CG TYR A 95 -6.639 -12.773 -3.561 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -7.165 -12.030 -2.511 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -6.740 -12.255 -4.846 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -7.773 -10.809 -2.735 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -7.345 -11.035 -5.078 1.00 0.00 C ATOM 1442 CZ TYR A 95 -7.860 -10.316 -4.020 1.00 0.00 C ATOM 1443 OH TYR A 95 -8.464 -9.101 -4.248 1.00 0.00 O ATOM 0 H TYR A 95 -6.641 -16.664 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.360 -14.779 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.963 -13.939 -2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.886 -14.644 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.098 -12.413 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.339 -12.815 -5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.178 -10.244 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.414 -10.646 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.441 -8.899 -5.207 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.814 -14.490 -1.181 1.00 0.00 N ATOM 1454 CA LYS A 96 -10.235 -14.179 -1.083 1.00 0.00 C ATOM 1455 C LYS A 96 -10.447 -12.779 -0.516 1.00 0.00 C ATOM 1456 O LYS A 96 -11.337 -12.050 -0.953 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.945 -15.210 -0.203 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.268 -16.506 -0.926 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.304 -17.685 0.033 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.514 -17.620 0.951 1.00 0.00 C ATOM 1461 NZ LYS A 96 -12.730 -18.904 1.675 1.00 0.00 N ATOM 0 H LYS A 96 -8.334 -14.555 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.659 -14.214 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.318 -15.432 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.869 -14.776 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.232 -16.414 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.522 -16.688 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.326 -18.616 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.393 -17.697 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.380 -16.814 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.401 -17.379 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.564 -18.819 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.883 -19.669 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.893 -19.121 2.253 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.622 -12.409 0.459 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.720 -11.095 1.085 1.00 0.00 C ATOM 1477 C ASN A 97 -8.363 -10.646 1.620 1.00 0.00 C ATOM 1478 O ASN A 97 -7.705 -11.373 2.365 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.745 -11.123 2.220 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.597 -9.943 3.162 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -9.895 -8.978 2.859 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -11.260 -10.016 4.310 1.00 0.00 N ATOM 0 H ASN A 97 -8.879 -13.000 0.832 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.047 -10.382 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.750 -11.124 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.635 -12.050 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.199 -9.252 4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.830 -10.836 4.519 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.951 -9.443 1.235 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.673 -8.895 1.677 1.00 0.00 C ATOM 1491 C LEU A 98 -6.838 -7.463 2.176 1.00 0.00 C ATOM 1492 O LEU A 98 -7.647 -6.699 1.649 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.657 -8.934 0.534 1.00 0.00 C ATOM 1494 CG LEU A 98 -5.663 -10.199 -0.326 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.888 -9.972 -1.615 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -5.082 -11.373 0.448 1.00 0.00 C ATOM 0 H LEU A 98 -8.483 -8.829 0.618 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.308 -9.508 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.837 -8.077 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.660 -8.811 0.956 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.695 -10.435 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.903 -10.883 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.348 -9.160 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.857 -9.711 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.094 -12.264 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.056 -11.146 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.679 -11.551 1.342 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.064 -7.105 3.196 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.121 -5.764 3.766 1.00 0.00 C ATOM 1510 C LYS A 99 -4.849 -4.984 3.448 1.00 0.00 C ATOM 1511 O LYS A 99 -3.739 -5.474 3.660 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.321 -5.840 5.281 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.007 -4.540 6.002 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.852 -4.379 7.254 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.508 -5.431 8.298 1.00 0.00 C ATOM 1516 NZ LYS A 99 -5.426 -4.972 9.212 1.00 0.00 N ATOM 0 H LYS A 99 -5.390 -7.725 3.645 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.967 -5.242 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.353 -6.121 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.688 -6.631 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.951 -4.517 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.184 -3.699 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.697 -3.385 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.908 -4.455 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.398 -5.670 8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.197 -6.349 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.221 -5.717 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.568 -4.768 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.732 -4.110 9.707 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.018 -3.767 2.941 1.00 0.00 N ATOM 1531 CA VAL A 100 -3.883 -2.918 2.597 1.00 0.00 C ATOM 1532 C VAL A 100 -3.798 -1.712 3.525 1.00 0.00 C ATOM 1533 O VAL A 100 -4.817 -1.201 3.990 1.00 0.00 O ATOM 1534 CB VAL A 100 -3.972 -2.426 1.140 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -2.689 -1.714 0.738 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.262 -3.588 0.203 1.00 0.00 C ATOM 0 H VAL A 100 -5.929 -3.347 2.759 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.986 -3.526 2.713 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.794 -1.714 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.770 -1.373 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.529 -0.857 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.848 -2.401 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.322 -3.223 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.463 -4.325 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.210 -4.050 0.479 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.576 -1.261 3.791 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.359 -0.114 4.665 1.00 0.00 C ATOM 1548 C GLU A 101 -1.270 0.797 4.106 1.00 0.00 C ATOM 1549 O GLU A 101 -0.096 0.428 4.069 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.976 -0.581 6.071 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.169 -0.783 6.991 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.776 -0.823 8.455 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -1.809 -1.540 8.789 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.435 -0.140 9.265 1.00 0.00 O ATOM 0 H GLU A 101 -1.722 -1.672 3.414 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.290 0.451 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.423 -1.517 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.303 0.151 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.886 0.023 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.672 -1.713 6.728 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.669 1.988 3.671 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.728 2.952 3.115 1.00 0.00 C ATOM 1563 C ILE A 102 -0.585 4.168 4.024 1.00 0.00 C ATOM 1564 O ILE A 102 -1.530 4.935 4.207 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.165 3.421 1.714 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.606 2.225 0.867 1.00 0.00 C ATOM 1567 CG2 ILE A 102 -0.032 4.172 1.031 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.075 1.893 1.009 1.00 0.00 C ATOM 0 H ILE A 102 -2.637 2.308 3.693 1.00 0.00 H new ATOM 0 HA ILE A 102 0.234 2.445 3.036 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.012 4.099 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.388 2.432 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.016 1.353 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.355 4.497 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.240 5.042 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.832 3.515 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.317 1.036 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.295 1.654 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.673 2.750 0.699 1.00 0.00 H new ATOM 1580 N LYS A 103 0.605 4.339 4.590 1.00 0.00 N ATOM 1581 CA LYS A 103 0.876 5.464 5.478 1.00 0.00 C ATOM 1582 C LYS A 103 2.293 5.989 5.275 1.00 0.00 C ATOM 1583 O LYS A 103 3.190 5.246 4.876 1.00 0.00 O ATOM 1584 CB LYS A 103 0.679 5.047 6.937 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.687 4.446 7.220 1.00 0.00 C ATOM 1586 CD LYS A 103 -0.685 2.939 7.024 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.328 2.211 8.310 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.145 2.152 8.523 1.00 0.00 N ATOM 0 H LYS A 103 1.398 3.713 4.450 1.00 0.00 H new ATOM 0 HA LYS A 103 0.174 6.262 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.448 4.323 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.823 5.917 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.984 4.680 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.428 4.898 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.667 2.614 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.029 2.673 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.797 2.715 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.731 1.199 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.370 1.377 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.621 1.986 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.474 3.053 8.926 1.00 0.00 H new ATOM 1602 N PHE A 104 2.489 7.274 5.553 1.00 0.00 N ATOM 1603 CA PHE A 104 3.798 7.898 5.401 1.00 0.00 C ATOM 1604 C PHE A 104 4.270 8.500 6.721 1.00 0.00 C ATOM 1605 O PHE A 104 3.811 9.567 7.127 1.00 0.00 O ATOM 1606 CB PHE A 104 3.748 8.982 4.322 1.00 0.00 C ATOM 1607 CG PHE A 104 4.763 10.071 4.519 1.00 0.00 C ATOM 1608 CD1 PHE A 104 6.106 9.765 4.671 1.00 0.00 C ATOM 1609 CD2 PHE A 104 4.375 11.400 4.552 1.00 0.00 C ATOM 1610 CE1 PHE A 104 7.043 10.764 4.851 1.00 0.00 C ATOM 1611 CE2 PHE A 104 5.308 12.404 4.732 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.644 12.086 4.883 1.00 0.00 C ATOM 0 H PHE A 104 1.758 7.903 5.885 1.00 0.00 H new ATOM 0 HA PHE A 104 4.507 7.127 5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.906 8.521 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.751 9.423 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.424 8.733 4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.332 11.655 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 104 8.087 10.512 4.967 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.993 13.437 4.755 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.374 12.869 5.026 1.00 0.00 H new ATOM 1622 N GLN A 105 5.189 7.807 7.385 1.00 0.00 N ATOM 1623 CA GLN A 105 5.722 8.272 8.660 1.00 0.00 C ATOM 1624 C GLN A 105 4.602 8.487 9.673 1.00 0.00 C ATOM 1625 O GLN A 105 4.737 9.282 10.603 1.00 0.00 O ATOM 1626 CB GLN A 105 6.507 9.571 8.466 1.00 0.00 C ATOM 1627 CG GLN A 105 7.729 9.416 7.576 1.00 0.00 C ATOM 1628 CD GLN A 105 8.941 8.907 8.332 1.00 0.00 C ATOM 1629 OE1 GLN A 105 9.082 9.143 9.533 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.823 8.203 7.633 1.00 0.00 N ATOM 0 H GLN A 105 5.580 6.922 7.062 1.00 0.00 H new ATOM 0 HA GLN A 105 6.393 7.505 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.847 10.324 8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.822 9.944 9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.497 8.728 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.967 10.378 7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.666 8.031 6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.657 7.834 8.089 1.00 0.00 H new ATOM 1639 N GLY A 106 3.496 7.774 9.485 1.00 0.00 N ATOM 1640 CA GLY A 106 2.369 7.902 10.390 1.00 0.00 C ATOM 1641 C GLY A 106 1.231 8.702 9.788 1.00 0.00 C ATOM 1642 O GLY A 106 0.231 8.967 10.455 1.00 0.00 O ATOM 0 H GLY A 106 3.360 7.110 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.009 6.909 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.699 8.382 11.311 1.00 0.00 H new ATOM 1646 N GLN A 107 1.384 9.090 8.526 1.00 0.00 N ATOM 1647 CA GLN A 107 0.361 9.867 7.836 1.00 0.00 C ATOM 1648 C GLN A 107 -0.380 9.009 6.817 1.00 0.00 C ATOM 1649 O GLN A 107 0.161 8.674 5.762 1.00 0.00 O ATOM 1650 CB GLN A 107 0.992 11.076 7.142 1.00 0.00 C ATOM 1651 CG GLN A 107 1.664 12.045 8.100 1.00 0.00 C ATOM 1652 CD GLN A 107 3.125 11.715 8.335 1.00 0.00 C ATOM 1653 OE1 GLN A 107 3.475 11.053 9.312 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.988 12.175 7.436 1.00 0.00 N ATOM 0 H GLN A 107 2.206 8.879 7.961 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.357 10.216 8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.727 10.726 6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.221 11.607 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.583 13.057 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.135 12.033 9.053 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.654 12.720 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.984 11.983 7.541 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.620 8.655 7.138 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.436 7.836 6.249 1.00 0.00 C ATOM 1665 C HIS A 108 -2.771 8.592 4.967 1.00 0.00 C ATOM 1666 O HIS A 108 -3.469 9.606 4.996 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.724 7.408 6.953 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.564 6.184 7.802 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.819 4.910 7.341 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.171 6.045 9.090 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.591 4.040 8.308 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.196 4.703 9.380 1.00 0.00 N ATOM 0 H HIS A 108 -2.082 8.922 8.007 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.862 6.948 5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.078 8.229 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.494 7.222 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.890 6.841 9.764 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.708 2.969 8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -2.950 4.286 10.278 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.267 8.093 3.842 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.513 8.722 2.550 1.00 0.00 C ATOM 1683 C VAL A 109 -3.942 8.471 2.080 1.00 0.00 C ATOM 1684 O VAL A 109 -4.712 9.409 1.875 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.534 8.205 1.479 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.808 8.870 0.139 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.096 8.438 1.915 1.00 0.00 C ATOM 0 H VAL A 109 -1.686 7.256 3.800 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.360 9.793 2.685 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.685 7.132 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.107 8.492 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.827 8.646 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.687 9.949 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.582 8.067 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.071 9.505 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.091 7.910 2.850 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.289 7.200 1.911 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.626 6.825 1.468 1.00 0.00 C ATOM 1699 C ALA A 110 -6.514 6.457 2.652 1.00 0.00 C ATOM 1700 O ALA A 110 -6.118 6.606 3.808 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.551 5.669 0.482 1.00 0.00 C ATOM 0 H ALA A 110 -3.662 6.412 2.074 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.071 7.686 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.557 5.400 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.960 5.967 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.082 4.811 0.963 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.717 5.976 2.356 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.662 5.585 3.396 1.00 0.00 C ATOM 1709 C LYS A 111 -8.263 4.251 4.020 1.00 0.00 C ATOM 1710 O LYS A 111 -9.095 3.359 4.185 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.075 5.487 2.818 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.771 6.830 2.682 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.418 7.258 3.989 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.681 6.460 4.273 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.527 7.111 5.312 1.00 0.00 N ATOM 0 H LYS A 111 -8.061 5.848 1.404 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.646 6.349 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.026 5.012 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.676 4.839 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.050 7.584 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.530 6.770 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.710 7.125 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.659 8.320 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.256 6.350 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.410 5.457 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.378 6.536 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.988 7.193 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.807 8.059 4.988 1.00 0.00 H new ATOM 1729 N SER A 112 -6.986 4.123 4.366 1.00 0.00 N ATOM 1730 CA SER A 112 -6.477 2.898 4.970 1.00 0.00 C ATOM 1731 C SER A 112 -6.796 2.855 6.462 1.00 0.00 C ATOM 1732 O SER A 112 -6.967 3.883 7.116 1.00 0.00 O ATOM 1733 CB SER A 112 -4.966 2.788 4.756 1.00 0.00 C ATOM 1734 OG SER A 112 -4.341 2.148 5.855 1.00 0.00 O ATOM 0 H SER A 112 -6.285 4.853 4.238 1.00 0.00 H new ATOM 0 HA SER A 112 -6.967 2.053 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.765 2.228 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.541 3.783 4.621 1.00 0.00 H new ATOM 0 HG SER A 112 -3.373 2.117 5.708 1.00 0.00 H new ATOM 1740 N PRO A 113 -6.877 1.635 7.014 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.675 0.403 6.245 1.00 0.00 C ATOM 1742 C PRO A 113 -7.811 0.141 5.261 1.00 0.00 C ATOM 1743 O PRO A 113 -8.913 0.669 5.416 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.639 -0.685 7.321 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.417 -0.119 8.458 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.172 1.364 8.430 1.00 0.00 C ATOM 0 HA PRO A 113 -5.774 0.447 5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.083 -1.613 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.616 -0.915 7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.479 -0.341 8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.093 -0.550 9.405 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.044 1.922 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.340 1.646 9.075 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.535 -0.676 4.251 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.534 -1.006 3.241 1.00 0.00 C ATOM 1756 C TYR A 114 -9.145 -2.378 3.507 1.00 0.00 C ATOM 1757 O TYR A 114 -8.473 -3.403 3.385 1.00 0.00 O ATOM 1758 CB TYR A 114 -7.908 -0.975 1.845 1.00 0.00 C ATOM 1759 CG TYR A 114 -7.945 0.389 1.194 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.112 0.871 0.614 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -6.814 1.195 1.159 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.150 2.117 0.017 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -6.844 2.442 0.566 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.014 2.898 -0.004 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.048 4.140 -0.597 1.00 0.00 O ATOM 0 H TYR A 114 -6.629 -1.122 4.110 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.327 -0.260 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -6.872 -1.308 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.430 -1.687 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.004 0.262 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -5.896 0.840 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.065 2.477 -0.431 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.956 3.057 0.549 1.00 0.00 H new ATOM 0 HH TYR A 114 -8.950 4.515 -0.519 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.423 -2.389 3.870 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.126 -3.634 4.151 1.00 0.00 C ATOM 1777 C ILE A 115 -11.908 -4.112 2.932 1.00 0.00 C ATOM 1778 O ILE A 115 -12.755 -3.392 2.403 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.094 -3.479 5.339 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.447 -2.643 6.446 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.505 -4.844 5.870 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.081 -3.143 6.861 1.00 0.00 C ATOM 0 H ILE A 115 -10.993 -1.550 3.976 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.367 -4.374 4.406 1.00 0.00 H new ATOM 0 HB ILE A 115 -12.989 -2.961 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.359 -1.611 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.103 -2.638 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.189 -4.717 6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.001 -5.408 5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.620 -5.387 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.683 -2.503 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.165 -4.165 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.410 -3.122 6.003 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.620 -5.332 2.493 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.297 -5.908 1.336 1.00 0.00 C ATOM 1796 C LEU A 116 -12.841 -7.296 1.660 1.00 0.00 C ATOM 1797 O LEU A 116 -12.107 -8.284 1.635 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.339 -5.988 0.147 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.654 -4.680 -0.253 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.374 -4.483 0.545 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.362 -4.666 -1.746 1.00 0.00 C ATOM 0 H LEU A 116 -10.923 -5.942 2.920 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.135 -5.261 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.568 -6.723 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.891 -6.364 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.329 -3.854 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.900 -3.548 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.610 -4.448 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.693 -5.312 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.875 -3.728 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.706 -5.500 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.296 -4.760 -2.300 1.00 0.00 H new ATOM 1813 N LYS A 117 -14.133 -7.364 1.961 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.778 -8.631 2.286 1.00 0.00 C ATOM 1815 C LYS A 117 -16.235 -8.631 1.835 1.00 0.00 C ATOM 1816 O LYS A 117 -16.905 -7.600 1.867 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.699 -8.896 3.791 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.345 -7.811 4.634 1.00 0.00 C ATOM 1819 CD LYS A 117 -14.829 -7.833 6.064 1.00 0.00 C ATOM 1820 CE LYS A 117 -15.377 -9.024 6.835 1.00 0.00 C ATOM 1821 NZ LYS A 117 -14.932 -9.017 8.256 1.00 0.00 N ATOM 0 H LYS A 117 -14.755 -6.556 1.987 1.00 0.00 H new ATOM 0 HA LYS A 117 -14.252 -9.425 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.181 -9.849 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.653 -8.994 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.145 -6.836 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.427 -7.945 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.740 -7.872 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.113 -6.909 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.466 -9.012 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.051 -9.948 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.326 -9.844 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.893 -9.054 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.265 -8.148 8.720 1.00 0.00 H new