USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 722 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.8!) USER MOD Set 2.1: A 57 ASN : amide:sc= -14.7! C(o=-25!,f=-31!) USER MOD Set 2.2: A 61 HIS : no HE2:sc= -10.6! C(o=-25!,f=-25!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 15 GLN : amide:sc= 0.206 K(o=-0.48,f=-10!) USER MOD Set 4.2: A 20 THR OG1 : rot 160:sc= -0.685 USER MOD Single : A 8 MET CE :methyl 154:sc= -7.15! (180deg=-9.39!) USER MOD Single : A 17 ASN : amide:sc= -0.415 K(o=-0.42,f=-3.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.304 (180deg=-1.75!) USER MOD Single : A 28 ASN : amide:sc= -3.3! C(o=-3.3!,f=-9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -5.12! C(o=-5.1!,f=-3.1!) USER MOD Single : A 62 THR OG1 : rot -61:sc= -1.85! USER MOD Single : A 65 HIS : no HD1:sc= -8.5! C(o=-8.5!,f=-6.6!) USER MOD Single : A 66 GLN : amide:sc= -0.678 K(o=-0.68,f=-0.14) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc=-0.00162 (180deg=-0.329) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= -0.015 (180deg=-0.0449) USER MOD Single : A 83 CYS SG : rot 75:sc= 1.14 USER MOD Single : A 85 MET CE :methyl -159:sc= -8.8! (180deg=-9.67!) USER MOD Single : A 86 ASN : amide:sc= -3.66! C(o=-3.7!,f=-9.1!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.177 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot -113:sc= -1.2! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 98.016 0.037 -12.771 1.00 0.00 N ATOM 90 CA ARG A 7 96.663 -0.249 -12.217 1.00 0.00 C ATOM 91 C ARG A 7 96.717 -0.204 -10.688 1.00 0.00 C ATOM 92 O ARG A 7 97.775 -0.107 -10.093 1.00 0.00 O ATOM 93 CB ARG A 7 96.211 -1.639 -12.672 1.00 0.00 C ATOM 94 CG ARG A 7 94.698 -1.636 -12.900 1.00 0.00 C ATOM 95 CD ARG A 7 94.404 -1.373 -14.379 1.00 0.00 C ATOM 96 NE ARG A 7 93.671 -2.538 -14.954 1.00 0.00 N ATOM 97 CZ ARG A 7 92.422 -2.750 -14.632 1.00 0.00 C ATOM 98 NH1 ARG A 7 91.809 -1.943 -13.808 1.00 0.00 N ATOM 99 NH2 ARG A 7 91.786 -3.772 -15.136 1.00 0.00 N ATOM 0 HA ARG A 7 95.957 0.499 -12.576 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.727 -1.918 -13.591 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.474 -2.383 -11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.272 -2.593 -12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 7 94.228 -0.870 -12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.809 -0.466 -14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.335 -1.211 -14.923 1.00 0.00 H new ATOM 0 HE ARG A 7 94.145 -3.170 -15.599 1.00 0.00 H new ATOM 0 HH11 ARG A 7 92.305 -1.144 -13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 90.834 -2.112 -13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 7 92.264 -4.403 -15.779 1.00 0.00 H new ATOM 0 HH22 ARG A 7 90.811 -3.940 -14.886 1.00 0.00 H new ATOM 113 N MET A 8 95.584 -0.276 -10.045 1.00 0.00 N ATOM 114 CA MET A 8 95.567 -0.236 -8.558 1.00 0.00 C ATOM 115 C MET A 8 96.187 -1.518 -7.976 1.00 0.00 C ATOM 116 O MET A 8 96.830 -1.489 -6.944 1.00 0.00 O ATOM 117 CB MET A 8 94.120 -0.114 -8.079 1.00 0.00 C ATOM 118 CG MET A 8 94.091 -0.035 -6.554 1.00 0.00 C ATOM 119 SD MET A 8 93.520 -1.614 -5.878 1.00 0.00 S ATOM 120 CE MET A 8 93.545 -1.140 -4.132 1.00 0.00 C ATOM 0 H MET A 8 94.669 -0.361 -10.487 1.00 0.00 H new ATOM 0 HA MET A 8 96.151 0.620 -8.220 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.658 0.775 -8.508 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.540 -0.971 -8.420 1.00 0.00 H new ATOM 0 HG2 MET A 8 95.085 0.198 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.430 0.770 -6.234 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.828 -1.747 -3.580 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.544 -1.299 -3.726 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.278 -0.087 -4.037 1.00 0.00 H new ATOM 130 N ARG A 9 95.990 -2.645 -8.615 1.00 0.00 N ATOM 131 CA ARG A 9 96.562 -3.918 -8.069 1.00 0.00 C ATOM 132 C ARG A 9 98.094 -3.829 -7.982 1.00 0.00 C ATOM 133 O ARG A 9 98.655 -4.080 -6.932 1.00 0.00 O ATOM 134 CB ARG A 9 96.155 -5.109 -8.948 1.00 0.00 C ATOM 135 CG ARG A 9 94.767 -4.865 -9.546 1.00 0.00 C ATOM 136 CD ARG A 9 93.981 -6.177 -9.567 1.00 0.00 C ATOM 137 NE ARG A 9 94.194 -6.864 -10.872 1.00 0.00 N ATOM 138 CZ ARG A 9 93.459 -7.892 -11.203 1.00 0.00 C ATOM 139 NH1 ARG A 9 92.532 -8.324 -10.392 1.00 0.00 N ATOM 140 NH2 ARG A 9 93.650 -8.485 -12.348 1.00 0.00 N ATOM 0 H ARG A 9 95.463 -2.740 -9.483 1.00 0.00 H new ATOM 0 HA ARG A 9 96.163 -4.068 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.885 -5.250 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.150 -6.024 -8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.233 -4.118 -8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.860 -4.468 -10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 9 94.305 -6.820 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 9 92.920 -5.980 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 9 94.917 -6.530 -11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 9 92.380 -7.859 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 9 91.960 -9.127 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 9 94.372 -8.146 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 9 93.077 -9.288 -12.608 1.00 0.00 H new ATOM 154 N PRO A 10 98.737 -3.470 -9.070 1.00 0.00 N ATOM 155 CA PRO A 10 100.204 -3.342 -9.098 1.00 0.00 C ATOM 156 C PRO A 10 100.645 -2.121 -8.290 1.00 0.00 C ATOM 157 O PRO A 10 101.705 -2.108 -7.698 1.00 0.00 O ATOM 158 CB PRO A 10 100.536 -3.189 -10.580 1.00 0.00 C ATOM 159 CG PRO A 10 99.244 -2.696 -11.257 1.00 0.00 C ATOM 160 CD PRO A 10 98.083 -3.146 -10.353 1.00 0.00 C ATOM 0 HA PRO A 10 100.718 -4.194 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.349 -2.478 -10.726 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.862 -4.138 -11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.253 -1.612 -11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.144 -3.118 -12.257 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.340 -2.357 -10.235 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.566 -4.011 -10.768 1.00 0.00 H new ATOM 168 N TRP A 11 99.833 -1.100 -8.245 1.00 0.00 N ATOM 169 CA TRP A 11 100.205 0.106 -7.457 1.00 0.00 C ATOM 170 C TRP A 11 100.332 -0.285 -5.983 1.00 0.00 C ATOM 171 O TRP A 11 101.241 0.135 -5.291 1.00 0.00 O ATOM 172 CB TRP A 11 99.116 1.169 -7.615 1.00 0.00 C ATOM 173 CG TRP A 11 99.572 2.458 -7.012 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.221 3.442 -7.677 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.425 2.924 -5.639 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.471 4.484 -6.803 1.00 0.00 N ATOM 177 CE2 TRP A 11 100.002 4.211 -5.535 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.850 2.361 -4.485 1.00 0.00 C ATOM 179 CZ2 TRP A 11 100.008 4.917 -4.334 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.857 3.066 -3.272 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.434 4.343 -3.196 1.00 0.00 C ATOM 0 H TRP A 11 98.931 -1.050 -8.719 1.00 0.00 H new ATOM 0 HA TRP A 11 101.154 0.507 -7.814 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.886 1.313 -8.671 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.198 0.836 -7.131 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.498 3.417 -8.720 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.944 5.349 -7.064 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.400 1.380 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.453 5.900 -4.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.416 2.623 -2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.435 4.881 -2.260 1.00 0.00 H new ATOM 192 N LEU A 12 99.430 -1.099 -5.497 1.00 0.00 N ATOM 193 CA LEU A 12 99.503 -1.523 -4.072 1.00 0.00 C ATOM 194 C LEU A 12 100.598 -2.576 -3.917 1.00 0.00 C ATOM 195 O LEU A 12 101.318 -2.594 -2.941 1.00 0.00 O ATOM 196 CB LEU A 12 98.159 -2.110 -3.638 1.00 0.00 C ATOM 197 CG LEU A 12 97.809 -1.596 -2.240 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.095 -0.248 -2.354 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.893 -2.601 -1.541 1.00 0.00 C ATOM 0 H LEU A 12 98.649 -1.486 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 12 99.733 -0.661 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.380 -1.828 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.209 -3.199 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 12 98.724 -1.474 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.846 0.117 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.749 0.469 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.181 -0.369 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 12 96.644 -2.235 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.979 -2.725 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 12 97.403 -3.561 -1.457 1.00 0.00 H new ATOM 211 N GLU A 13 100.737 -3.450 -4.875 1.00 0.00 N ATOM 212 CA GLU A 13 101.800 -4.488 -4.775 1.00 0.00 C ATOM 213 C GLU A 13 103.159 -3.791 -4.682 1.00 0.00 C ATOM 214 O GLU A 13 104.075 -4.270 -4.039 1.00 0.00 O ATOM 215 CB GLU A 13 101.763 -5.379 -6.020 1.00 0.00 C ATOM 216 CG GLU A 13 102.570 -6.653 -5.763 1.00 0.00 C ATOM 217 CD GLU A 13 103.475 -6.941 -6.963 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.430 -6.174 -7.912 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.198 -7.922 -6.914 1.00 0.00 O ATOM 0 H GLU A 13 100.164 -3.490 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 13 101.638 -5.104 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.732 -5.633 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 13 102.173 -4.843 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.171 -6.538 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.897 -7.493 -5.593 1.00 0.00 H new ATOM 226 N GLU A 14 103.292 -2.659 -5.321 1.00 0.00 N ATOM 227 CA GLU A 14 104.586 -1.921 -5.279 1.00 0.00 C ATOM 228 C GLU A 14 104.704 -1.161 -3.957 1.00 0.00 C ATOM 229 O GLU A 14 105.628 -1.365 -3.197 1.00 0.00 O ATOM 230 CB GLU A 14 104.647 -0.930 -6.443 1.00 0.00 C ATOM 231 CG GLU A 14 106.039 -0.972 -7.077 1.00 0.00 C ATOM 232 CD GLU A 14 106.830 0.268 -6.656 1.00 0.00 C ATOM 233 OE1 GLU A 14 107.052 0.429 -5.468 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.199 1.036 -7.531 1.00 0.00 O ATOM 0 H GLU A 14 102.558 -2.213 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 14 105.408 -2.632 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.890 -1.179 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.427 0.077 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.565 -1.875 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.954 -1.011 -8.163 1.00 0.00 H new ATOM 241 N GLN A 15 103.778 -0.286 -3.672 1.00 0.00 N ATOM 242 CA GLN A 15 103.856 0.476 -2.393 1.00 0.00 C ATOM 243 C GLN A 15 104.184 -0.492 -1.254 1.00 0.00 C ATOM 244 O GLN A 15 104.961 -0.189 -0.370 1.00 0.00 O ATOM 245 CB GLN A 15 102.514 1.159 -2.115 1.00 0.00 C ATOM 246 CG GLN A 15 102.162 2.091 -3.276 1.00 0.00 C ATOM 247 CD GLN A 15 103.056 3.331 -3.232 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.598 3.668 -2.199 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.233 4.029 -4.320 1.00 0.00 N ATOM 0 H GLN A 15 102.977 -0.067 -4.264 1.00 0.00 H new ATOM 0 HA GLN A 15 104.634 1.236 -2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.733 0.410 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.568 1.725 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 15 102.292 1.571 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 15 101.114 2.384 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.778 3.746 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.827 4.858 -4.303 1.00 0.00 H new ATOM 258 N ILE A 16 103.599 -1.657 -1.274 1.00 0.00 N ATOM 259 CA ILE A 16 103.872 -2.654 -0.201 1.00 0.00 C ATOM 260 C ILE A 16 105.292 -3.202 -0.364 1.00 0.00 C ATOM 261 O ILE A 16 106.138 -3.020 0.490 1.00 0.00 O ATOM 262 CB ILE A 16 102.864 -3.803 -0.306 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.518 -3.352 0.264 1.00 0.00 C ATOM 264 CG2 ILE A 16 103.366 -5.012 0.486 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.421 -4.310 -0.205 1.00 0.00 C ATOM 0 H ILE A 16 102.941 -1.963 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 16 103.778 -2.176 0.774 1.00 0.00 H new ATOM 0 HB ILE A 16 102.748 -4.081 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 16 101.559 -3.334 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.294 -2.337 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.644 -5.825 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 16 104.325 -5.338 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 16 103.487 -4.736 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.461 -3.990 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.375 -4.305 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.645 -5.318 0.144 1.00 0.00 H new ATOM 277 N ASN A 17 105.558 -3.879 -1.450 1.00 0.00 N ATOM 278 CA ASN A 17 106.922 -4.443 -1.660 1.00 0.00 C ATOM 279 C ASN A 17 107.970 -3.407 -1.253 1.00 0.00 C ATOM 280 O ASN A 17 108.702 -3.586 -0.298 1.00 0.00 O ATOM 281 CB ASN A 17 107.105 -4.798 -3.136 1.00 0.00 C ATOM 282 CG ASN A 17 106.884 -6.299 -3.333 1.00 0.00 C ATOM 283 OD1 ASN A 17 106.679 -7.025 -2.381 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.916 -6.797 -4.539 1.00 0.00 N ATOM 0 H ASN A 17 104.891 -4.065 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 17 107.041 -5.340 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.401 -4.233 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 17 108.106 -4.521 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.769 -7.796 -4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.088 -6.187 -5.338 1.00 0.00 H new ATOM 291 N SER A 18 108.046 -2.326 -1.972 1.00 0.00 N ATOM 292 CA SER A 18 109.040 -1.268 -1.640 1.00 0.00 C ATOM 293 C SER A 18 108.798 -0.761 -0.216 1.00 0.00 C ATOM 294 O SER A 18 109.719 -0.383 0.480 1.00 0.00 O ATOM 295 CB SER A 18 108.892 -0.108 -2.626 1.00 0.00 C ATOM 296 OG SER A 18 109.359 1.088 -2.017 1.00 0.00 O ATOM 0 H SER A 18 107.459 -2.127 -2.782 1.00 0.00 H new ATOM 0 HA SER A 18 110.046 -1.682 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 18 109.459 -0.313 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 18 107.848 0.004 -2.920 1.00 0.00 H new ATOM 0 HG SER A 18 109.267 1.833 -2.647 1.00 0.00 H new ATOM 302 N ASN A 19 107.564 -0.745 0.216 1.00 0.00 N ATOM 303 CA ASN A 19 107.253 -0.260 1.592 1.00 0.00 C ATOM 304 C ASN A 19 107.234 1.269 1.591 1.00 0.00 C ATOM 305 O ASN A 19 108.236 1.912 1.838 1.00 0.00 O ATOM 306 CB ASN A 19 108.317 -0.761 2.572 1.00 0.00 C ATOM 307 CG ASN A 19 107.666 -1.060 3.922 1.00 0.00 C ATOM 308 OD1 ASN A 19 107.368 -2.197 4.228 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.430 -0.078 4.750 1.00 0.00 N ATOM 0 H ASN A 19 106.756 -1.048 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 19 106.279 -0.640 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.794 -1.659 2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 19 109.099 -0.011 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 19 106.996 -0.266 5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 19 107.680 0.877 4.493 1.00 0.00 H new ATOM 316 N THR A 20 106.105 1.857 1.308 1.00 0.00 N ATOM 317 CA THR A 20 106.027 3.343 1.282 1.00 0.00 C ATOM 318 C THR A 20 105.113 3.835 2.404 1.00 0.00 C ATOM 319 O THR A 20 105.180 4.978 2.812 1.00 0.00 O ATOM 320 CB THR A 20 105.464 3.794 -0.067 1.00 0.00 C ATOM 321 OG1 THR A 20 105.251 2.658 -0.894 1.00 0.00 O ATOM 322 CG2 THR A 20 106.456 4.739 -0.743 1.00 0.00 C ATOM 0 H THR A 20 105.233 1.372 1.094 1.00 0.00 H new ATOM 0 HA THR A 20 107.024 3.760 1.424 1.00 0.00 H new ATOM 0 HB THR A 20 104.518 4.313 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.615 2.885 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 20 106.055 5.060 -1.704 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.619 5.610 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 20 107.403 4.222 -0.899 1.00 0.00 H new ATOM 330 N ILE A 21 104.256 2.991 2.908 1.00 0.00 N ATOM 331 CA ILE A 21 103.343 3.435 4.000 1.00 0.00 C ATOM 332 C ILE A 21 103.615 2.616 5.270 1.00 0.00 C ATOM 333 O ILE A 21 103.594 1.400 5.234 1.00 0.00 O ATOM 334 CB ILE A 21 101.888 3.228 3.572 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.769 3.392 2.055 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.003 4.266 4.263 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.973 4.860 1.683 1.00 0.00 C ATOM 0 H ILE A 21 104.148 2.020 2.614 1.00 0.00 H new ATOM 0 HA ILE A 21 103.519 4.492 4.202 1.00 0.00 H new ATOM 0 HB ILE A 21 101.568 2.225 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.511 2.772 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.789 3.053 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.966 4.120 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.084 4.152 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.327 5.267 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.888 4.977 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.214 5.469 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.963 5.183 2.006 1.00 0.00 H new ATOM 349 N PRO A 22 103.850 3.305 6.362 1.00 0.00 N ATOM 350 CA PRO A 22 104.123 2.660 7.657 1.00 0.00 C ATOM 351 C PRO A 22 102.827 2.098 8.243 1.00 0.00 C ATOM 352 O PRO A 22 102.113 2.767 8.964 1.00 0.00 O ATOM 353 CB PRO A 22 104.679 3.795 8.522 1.00 0.00 C ATOM 354 CG PRO A 22 104.184 5.111 7.881 1.00 0.00 C ATOM 355 CD PRO A 22 103.858 4.784 6.412 1.00 0.00 C ATOM 0 HA PRO A 22 104.815 1.821 7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.329 3.708 9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.768 3.763 8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.303 5.488 8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 22 104.948 5.886 7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.894 5.198 6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.604 5.201 5.736 1.00 0.00 H new ATOM 363 N GLY A 23 102.518 0.874 7.926 1.00 0.00 N ATOM 364 CA GLY A 23 101.268 0.259 8.446 1.00 0.00 C ATOM 365 C GLY A 23 100.661 -0.623 7.356 1.00 0.00 C ATOM 366 O GLY A 23 99.879 -1.513 7.625 1.00 0.00 O ATOM 0 H GLY A 23 103.080 0.270 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.481 -0.334 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.561 1.034 8.741 1.00 0.00 H new ATOM 370 N LEU A 24 101.026 -0.387 6.123 1.00 0.00 N ATOM 371 CA LEU A 24 100.486 -1.213 5.015 1.00 0.00 C ATOM 372 C LEU A 24 101.620 -2.103 4.490 1.00 0.00 C ATOM 373 O LEU A 24 102.660 -1.622 4.086 1.00 0.00 O ATOM 374 CB LEU A 24 99.941 -0.272 3.917 1.00 0.00 C ATOM 375 CG LEU A 24 100.406 -0.712 2.525 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.722 -2.031 2.155 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.036 0.361 1.498 1.00 0.00 C ATOM 0 H LEU A 24 101.677 0.345 5.840 1.00 0.00 H new ATOM 0 HA LEU A 24 99.668 -1.851 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.852 -0.261 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.276 0.747 4.109 1.00 0.00 H new ATOM 0 HG LEU A 24 101.487 -0.850 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.051 -2.346 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.986 -2.795 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.641 -1.892 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.367 0.047 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.955 0.501 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.522 1.300 1.762 1.00 0.00 H new ATOM 389 N LYS A 25 101.436 -3.394 4.503 1.00 0.00 N ATOM 390 CA LYS A 25 102.523 -4.296 4.013 1.00 0.00 C ATOM 391 C LYS A 25 102.071 -5.756 4.075 1.00 0.00 C ATOM 392 O LYS A 25 101.013 -6.061 4.573 1.00 0.00 O ATOM 393 CB LYS A 25 103.758 -4.116 4.890 1.00 0.00 C ATOM 394 CG LYS A 25 103.316 -3.911 6.335 1.00 0.00 C ATOM 395 CD LYS A 25 102.452 -5.095 6.773 1.00 0.00 C ATOM 396 CE LYS A 25 102.423 -5.173 8.300 1.00 0.00 C ATOM 397 NZ LYS A 25 103.817 -5.252 8.822 1.00 0.00 N ATOM 0 H LYS A 25 100.590 -3.863 4.828 1.00 0.00 H new ATOM 0 HA LYS A 25 102.756 -4.040 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.404 -4.991 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.340 -3.260 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.187 -3.822 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.753 -2.982 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.439 -4.982 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.850 -6.021 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.919 -4.297 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.854 -6.046 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 103.822 -5.775 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.419 -5.744 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.184 -4.292 8.978 1.00 0.00 H new ATOM 411 N TRP A 26 102.867 -6.665 3.577 1.00 0.00 N ATOM 412 CA TRP A 26 102.467 -8.104 3.621 1.00 0.00 C ATOM 413 C TRP A 26 102.699 -8.668 5.026 1.00 0.00 C ATOM 414 O TRP A 26 103.730 -8.447 5.629 1.00 0.00 O ATOM 415 CB TRP A 26 103.324 -8.932 2.651 1.00 0.00 C ATOM 416 CG TRP A 26 103.204 -8.423 1.249 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.149 -7.699 0.610 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.122 -8.618 0.293 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.706 -7.413 -0.668 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.462 -7.959 -0.912 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.887 -9.287 0.356 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.608 -7.965 -2.015 1.00 0.00 C ATOM 423 CZ3 TRP A 26 100.027 -9.298 -0.752 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.386 -8.636 -1.936 1.00 0.00 C ATOM 0 H TRP A 26 103.771 -6.476 3.144 1.00 0.00 H new ATOM 0 HA TRP A 26 101.414 -8.164 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.367 -8.898 2.964 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.014 -9.976 2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.096 -7.393 1.029 1.00 0.00 H new ATOM 0 HE1 TRP A 26 104.234 -6.865 -1.348 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.599 -9.796 1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.890 -7.454 -2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.083 -9.819 -0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.718 -8.645 -2.785 1.00 0.00 H new ATOM 435 N LEU A 27 101.786 -9.459 5.518 1.00 0.00 N ATOM 436 CA LEU A 27 102.006 -10.105 6.841 1.00 0.00 C ATOM 437 C LEU A 27 102.535 -11.497 6.524 1.00 0.00 C ATOM 438 O LEU A 27 103.319 -12.079 7.247 1.00 0.00 O ATOM 439 CB LEU A 27 100.711 -10.220 7.656 1.00 0.00 C ATOM 440 CG LEU A 27 99.535 -10.492 6.733 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.365 -11.051 7.545 1.00 0.00 C ATOM 442 CD2 LEU A 27 99.126 -9.180 6.085 1.00 0.00 C ATOM 0 H LEU A 27 100.901 -9.685 5.063 1.00 0.00 H new ATOM 0 HA LEU A 27 102.693 -9.513 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.803 -11.023 8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.540 -9.299 8.214 1.00 0.00 H new ATOM 0 HG LEU A 27 99.814 -11.218 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 27 97.522 -11.246 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.668 -11.980 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 27 98.070 -10.326 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 27 98.282 -9.352 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 98.838 -8.467 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 27 99.964 -8.779 5.515 1.00 0.00 H new ATOM 454 N ASN A 28 102.111 -11.999 5.397 1.00 0.00 N ATOM 455 CA ASN A 28 102.553 -13.323 4.909 1.00 0.00 C ATOM 456 C ASN A 28 102.590 -13.239 3.382 1.00 0.00 C ATOM 457 O ASN A 28 101.710 -13.726 2.699 1.00 0.00 O ATOM 458 CB ASN A 28 101.559 -14.402 5.348 1.00 0.00 C ATOM 459 CG ASN A 28 102.272 -15.425 6.233 1.00 0.00 C ATOM 460 OD1 ASN A 28 102.783 -16.414 5.747 1.00 0.00 O ATOM 461 ND2 ASN A 28 102.330 -15.228 7.523 1.00 0.00 N ATOM 0 H ASN A 28 101.454 -11.524 4.778 1.00 0.00 H new ATOM 0 HA ASN A 28 103.531 -13.583 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 28 100.731 -13.948 5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.133 -14.896 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 28 102.804 -15.904 8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 28 101.901 -14.398 7.932 1.00 0.00 H new ATOM 468 N LYS A 29 103.587 -12.588 2.842 1.00 0.00 N ATOM 469 CA LYS A 29 103.673 -12.444 1.361 1.00 0.00 C ATOM 470 C LYS A 29 103.836 -13.833 0.741 1.00 0.00 C ATOM 471 O LYS A 29 103.559 -14.043 -0.424 1.00 0.00 O ATOM 472 CB LYS A 29 104.871 -11.546 1.005 1.00 0.00 C ATOM 473 CG LYS A 29 105.195 -11.648 -0.491 1.00 0.00 C ATOM 474 CD LYS A 29 104.279 -10.707 -1.277 1.00 0.00 C ATOM 475 CE LYS A 29 103.396 -11.522 -2.224 1.00 0.00 C ATOM 476 NZ LYS A 29 104.137 -11.789 -3.489 1.00 0.00 N ATOM 0 H LYS A 29 104.346 -12.150 3.364 1.00 0.00 H new ATOM 0 HA LYS A 29 102.766 -11.983 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.647 -10.511 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.741 -11.841 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.239 -11.387 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.061 -12.674 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.658 -10.130 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.875 -9.993 -1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 29 103.110 -12.462 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.475 -10.979 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 103.537 -12.343 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 104.389 -10.887 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 105.003 -12.324 -3.277 1.00 0.00 H new ATOM 490 N GLU A 30 104.270 -14.789 1.517 1.00 0.00 N ATOM 491 CA GLU A 30 104.440 -16.166 0.979 1.00 0.00 C ATOM 492 C GLU A 30 103.094 -16.681 0.463 1.00 0.00 C ATOM 493 O GLU A 30 103.034 -17.535 -0.399 1.00 0.00 O ATOM 494 CB GLU A 30 104.950 -17.090 2.089 1.00 0.00 C ATOM 495 CG GLU A 30 103.847 -17.304 3.128 1.00 0.00 C ATOM 496 CD GLU A 30 104.438 -17.981 4.367 1.00 0.00 C ATOM 497 OE1 GLU A 30 105.645 -17.920 4.532 1.00 0.00 O ATOM 498 OE2 GLU A 30 103.673 -18.548 5.130 1.00 0.00 O ATOM 0 H GLU A 30 104.514 -14.674 2.501 1.00 0.00 H new ATOM 0 HA GLU A 30 105.161 -16.150 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.256 -18.047 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.830 -16.654 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.400 -16.348 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 30 103.052 -17.920 2.708 1.00 0.00 H new ATOM 505 N LYS A 31 102.013 -16.166 0.983 1.00 0.00 N ATOM 506 CA LYS A 31 100.672 -16.622 0.520 1.00 0.00 C ATOM 507 C LYS A 31 99.902 -15.440 -0.080 1.00 0.00 C ATOM 508 O LYS A 31 98.773 -15.580 -0.507 1.00 0.00 O ATOM 509 CB LYS A 31 99.888 -17.201 1.701 1.00 0.00 C ATOM 510 CG LYS A 31 99.966 -18.729 1.664 1.00 0.00 C ATOM 511 CD LYS A 31 98.643 -19.297 1.146 1.00 0.00 C ATOM 512 CE LYS A 31 98.495 -18.971 -0.341 1.00 0.00 C ATOM 513 NZ LYS A 31 98.883 -20.161 -1.149 1.00 0.00 N ATOM 0 H LYS A 31 102.001 -15.449 1.709 1.00 0.00 H new ATOM 0 HA LYS A 31 100.798 -17.392 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.296 -16.828 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.848 -16.878 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 100.787 -19.046 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.175 -19.117 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.614 -20.376 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 97.809 -18.874 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 31 97.466 -18.687 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 31 99.123 -18.120 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 98.783 -19.941 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 99.872 -20.412 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 98.266 -20.962 -0.906 1.00 0.00 H new ATOM 527 N LYS A 32 100.509 -14.280 -0.123 1.00 0.00 N ATOM 528 CA LYS A 32 99.825 -13.089 -0.710 1.00 0.00 C ATOM 529 C LYS A 32 98.869 -12.460 0.308 1.00 0.00 C ATOM 530 O LYS A 32 97.763 -12.079 -0.025 1.00 0.00 O ATOM 531 CB LYS A 32 99.038 -13.512 -1.953 1.00 0.00 C ATOM 532 CG LYS A 32 98.783 -12.292 -2.845 1.00 0.00 C ATOM 533 CD LYS A 32 100.065 -11.915 -3.593 1.00 0.00 C ATOM 534 CE LYS A 32 100.673 -13.161 -4.239 1.00 0.00 C ATOM 535 NZ LYS A 32 101.176 -12.824 -5.602 1.00 0.00 N ATOM 0 H LYS A 32 101.452 -14.107 0.225 1.00 0.00 H new ATOM 0 HA LYS A 32 100.581 -12.352 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.594 -14.269 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.091 -13.963 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.987 -12.511 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.445 -11.452 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 32 99.845 -11.169 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 32 100.780 -11.465 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 32 101.488 -13.541 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 32 99.926 -13.952 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 101.589 -13.672 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 100.388 -12.481 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 101.902 -12.083 -5.531 1.00 0.00 H new ATOM 549 N ILE A 33 99.280 -12.324 1.542 1.00 0.00 N ATOM 550 CA ILE A 33 98.377 -11.690 2.548 1.00 0.00 C ATOM 551 C ILE A 33 98.938 -10.319 2.920 1.00 0.00 C ATOM 552 O ILE A 33 100.104 -10.183 3.226 1.00 0.00 O ATOM 553 CB ILE A 33 98.284 -12.549 3.805 1.00 0.00 C ATOM 554 CG1 ILE A 33 97.694 -13.916 3.447 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.374 -11.847 4.817 1.00 0.00 C ATOM 556 CD1 ILE A 33 98.767 -14.775 2.775 1.00 0.00 C ATOM 0 H ILE A 33 100.190 -12.620 1.894 1.00 0.00 H new ATOM 0 HA ILE A 33 97.381 -11.591 2.117 1.00 0.00 H new ATOM 0 HB ILE A 33 99.276 -12.688 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.326 -14.412 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 33 96.841 -13.792 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.300 -12.452 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 97.792 -10.872 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.382 -11.717 4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.347 -15.748 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.113 -14.280 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.606 -14.909 3.458 1.00 0.00 H new ATOM 568 N PHE A 34 98.126 -9.299 2.889 1.00 0.00 N ATOM 569 CA PHE A 34 98.637 -7.942 3.231 1.00 0.00 C ATOM 570 C PHE A 34 97.649 -7.207 4.142 1.00 0.00 C ATOM 571 O PHE A 34 96.450 -7.324 3.993 1.00 0.00 O ATOM 572 CB PHE A 34 98.831 -7.139 1.936 1.00 0.00 C ATOM 573 CG PHE A 34 97.491 -6.643 1.426 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.515 -7.555 1.000 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.223 -5.266 1.382 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.278 -7.094 0.533 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.987 -4.806 0.913 1.00 0.00 C ATOM 578 CZ PHE A 34 95.014 -5.719 0.490 1.00 0.00 C ATOM 0 H PHE A 34 97.137 -9.345 2.643 1.00 0.00 H new ATOM 0 HA PHE A 34 99.586 -8.043 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.495 -6.294 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.309 -7.762 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.718 -8.615 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.972 -4.560 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.528 -7.798 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.784 -3.746 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.060 -5.363 0.130 1.00 0.00 H new ATOM 588 N GLN A 35 98.147 -6.419 5.061 1.00 0.00 N ATOM 589 CA GLN A 35 97.239 -5.642 5.949 1.00 0.00 C ATOM 590 C GLN A 35 97.507 -4.159 5.751 1.00 0.00 C ATOM 591 O GLN A 35 98.616 -3.741 5.474 1.00 0.00 O ATOM 592 CB GLN A 35 97.430 -5.975 7.446 1.00 0.00 C ATOM 593 CG GLN A 35 98.699 -6.790 7.693 1.00 0.00 C ATOM 594 CD GLN A 35 99.460 -6.189 8.877 1.00 0.00 C ATOM 595 OE1 GLN A 35 99.922 -6.904 9.744 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.611 -4.896 8.949 1.00 0.00 N ATOM 0 H GLN A 35 99.143 -6.282 5.232 1.00 0.00 H new ATOM 0 HA GLN A 35 96.218 -5.910 5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.476 -5.050 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 35 96.565 -6.532 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 35 98.444 -7.829 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 35 99.327 -6.787 6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.223 -4.296 8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.117 -4.485 9.733 1.00 0.00 H new ATOM 605 N ILE A 36 96.495 -3.362 5.894 1.00 0.00 N ATOM 606 CA ILE A 36 96.666 -1.897 5.723 1.00 0.00 C ATOM 607 C ILE A 36 96.418 -1.241 7.086 1.00 0.00 C ATOM 608 O ILE A 36 95.753 -1.822 7.923 1.00 0.00 O ATOM 609 CB ILE A 36 95.638 -1.429 4.671 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.217 -1.643 3.272 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.277 0.053 4.834 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.099 -1.507 2.237 1.00 0.00 C ATOM 0 H ILE A 36 95.548 -3.663 6.124 1.00 0.00 H new ATOM 0 HA ILE A 36 97.665 -1.626 5.381 1.00 0.00 H new ATOM 0 HB ILE A 36 94.730 -2.015 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.002 -0.913 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.675 -2.630 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.551 0.337 4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.848 0.216 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.175 0.661 4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.508 -1.659 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.330 -2.254 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.662 -0.511 2.303 1.00 0.00 H new ATOM 624 N PRO A 37 96.971 -0.066 7.284 1.00 0.00 N ATOM 625 CA PRO A 37 96.804 0.684 8.546 1.00 0.00 C ATOM 626 C PRO A 37 95.471 1.441 8.572 1.00 0.00 C ATOM 627 O PRO A 37 94.791 1.467 9.579 1.00 0.00 O ATOM 628 CB PRO A 37 97.971 1.657 8.540 1.00 0.00 C ATOM 629 CG PRO A 37 98.407 1.819 7.062 1.00 0.00 C ATOM 630 CD PRO A 37 97.836 0.610 6.295 1.00 0.00 C ATOM 0 HA PRO A 37 96.792 0.033 9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.677 2.617 8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.794 1.279 9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.029 2.754 6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.493 1.851 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.269 0.925 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.629 -0.049 5.942 1.00 0.00 H new ATOM 638 N TRP A 38 95.075 2.039 7.478 1.00 0.00 N ATOM 639 CA TRP A 38 93.768 2.762 7.464 1.00 0.00 C ATOM 640 C TRP A 38 93.832 3.981 8.381 1.00 0.00 C ATOM 641 O TRP A 38 94.870 4.589 8.553 1.00 0.00 O ATOM 642 CB TRP A 38 92.689 1.803 7.955 1.00 0.00 C ATOM 643 CG TRP A 38 92.881 0.527 7.225 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.701 -0.471 7.604 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.281 0.114 5.977 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.654 -1.471 6.648 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.779 -1.157 5.633 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.358 0.719 5.122 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.378 -1.807 4.475 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.946 0.075 3.957 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.456 -1.189 3.630 1.00 0.00 C ATOM 0 H TRP A 38 95.595 2.058 6.601 1.00 0.00 H new ATOM 0 HA TRP A 38 93.541 3.103 6.454 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.771 1.648 9.031 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.696 2.210 7.766 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.297 -0.489 8.505 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.199 -2.332 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.960 1.693 5.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.775 -2.781 4.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.231 0.552 3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.136 -1.684 2.725 1.00 0.00 H new ATOM 865 N ALA A 52 98.395 9.289 3.077 1.00 0.00 N ATOM 866 CA ALA A 52 98.555 10.619 2.423 1.00 0.00 C ATOM 867 C ALA A 52 99.053 10.498 0.967 1.00 0.00 C ATOM 868 O ALA A 52 98.602 11.241 0.120 1.00 0.00 O ATOM 869 CB ALA A 52 99.545 11.452 3.228 1.00 0.00 C ATOM 0 HA ALA A 52 97.577 11.099 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 52 99.668 12.427 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 52 99.169 11.584 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 52 100.507 10.941 3.262 1.00 0.00 H new ATOM 875 N PRO A 53 99.966 9.585 0.700 1.00 0.00 N ATOM 876 CA PRO A 53 100.503 9.412 -0.665 1.00 0.00 C ATOM 877 C PRO A 53 99.441 8.765 -1.554 1.00 0.00 C ATOM 878 O PRO A 53 98.902 9.403 -2.436 1.00 0.00 O ATOM 879 CB PRO A 53 101.727 8.514 -0.467 1.00 0.00 C ATOM 880 CG PRO A 53 101.522 7.789 0.881 1.00 0.00 C ATOM 881 CD PRO A 53 100.532 8.647 1.693 1.00 0.00 C ATOM 0 HA PRO A 53 100.774 10.345 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.819 7.798 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.644 9.104 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.128 6.785 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.468 7.682 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.755 8.034 2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 53 101.035 9.178 2.501 1.00 0.00 H new ATOM 889 N LEU A 54 99.122 7.518 -1.319 1.00 0.00 N ATOM 890 CA LEU A 54 98.061 6.845 -2.141 1.00 0.00 C ATOM 891 C LEU A 54 96.942 7.843 -2.411 1.00 0.00 C ATOM 892 O LEU A 54 96.724 8.249 -3.526 1.00 0.00 O ATOM 893 CB LEU A 54 97.430 5.659 -1.399 1.00 0.00 C ATOM 894 CG LEU A 54 98.168 5.353 -0.101 1.00 0.00 C ATOM 895 CD1 LEU A 54 97.967 6.482 0.913 1.00 0.00 C ATOM 896 CD2 LEU A 54 97.597 4.070 0.483 1.00 0.00 C ATOM 0 H LEU A 54 99.546 6.935 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 54 98.532 6.490 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.385 5.880 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.442 4.779 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 54 99.233 5.251 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 54 98.502 6.244 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 54 98.352 7.415 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 96.904 6.592 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 54 98.112 3.833 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.533 4.202 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 54 97.736 3.254 -0.226 1.00 0.00 H new ATOM 908 N PHE A 55 96.242 8.233 -1.375 1.00 0.00 N ATOM 909 CA PHE A 55 95.130 9.217 -1.507 1.00 0.00 C ATOM 910 C PHE A 55 95.426 10.179 -2.660 1.00 0.00 C ATOM 911 O PHE A 55 94.617 10.383 -3.533 1.00 0.00 O ATOM 912 CB PHE A 55 95.047 10.008 -0.206 1.00 0.00 C ATOM 913 CG PHE A 55 94.125 9.319 0.765 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.019 7.926 0.763 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.386 10.078 1.677 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.171 7.290 1.675 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.537 9.445 2.587 1.00 0.00 C ATOM 918 CZ PHE A 55 92.429 8.050 2.588 1.00 0.00 C ATOM 0 H PHE A 55 96.400 7.902 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 55 94.191 8.700 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 55 96.040 10.106 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.686 11.017 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.591 7.341 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 55 93.472 11.155 1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.088 6.213 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 55 91.964 10.032 3.290 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.774 7.559 3.293 1.00 0.00 H new ATOM 928 N ARG A 56 96.593 10.756 -2.679 1.00 0.00 N ATOM 929 CA ARG A 56 96.939 11.677 -3.795 1.00 0.00 C ATOM 930 C ARG A 56 96.870 10.888 -5.104 1.00 0.00 C ATOM 931 O ARG A 56 96.199 11.269 -6.042 1.00 0.00 O ATOM 932 CB ARG A 56 98.358 12.215 -3.593 1.00 0.00 C ATOM 933 CG ARG A 56 98.460 13.629 -4.168 1.00 0.00 C ATOM 934 CD ARG A 56 99.932 13.989 -4.379 1.00 0.00 C ATOM 935 NE ARG A 56 100.052 15.450 -4.653 1.00 0.00 N ATOM 936 CZ ARG A 56 101.206 16.050 -4.529 1.00 0.00 C ATOM 937 NH1 ARG A 56 102.263 15.376 -4.165 1.00 0.00 N ATOM 938 NH2 ARG A 56 101.302 17.330 -4.770 1.00 0.00 N ATOM 0 H ARG A 56 97.319 10.631 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 56 96.244 12.516 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.606 12.225 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 56 99.079 11.560 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 56 97.921 13.688 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.993 14.343 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 56 100.512 13.725 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 56 100.342 13.417 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 56 99.230 15.983 -4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.190 14.376 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.162 15.849 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 56 100.477 17.859 -5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 56 102.202 17.801 -4.674 1.00 0.00 H new ATOM 952 N ASN A 57 97.556 9.779 -5.161 1.00 0.00 N ATOM 953 CA ASN A 57 97.546 8.934 -6.384 1.00 0.00 C ATOM 954 C ASN A 57 96.107 8.803 -6.923 1.00 0.00 C ATOM 955 O ASN A 57 95.902 8.552 -8.094 1.00 0.00 O ATOM 956 CB ASN A 57 98.159 7.556 -6.028 1.00 0.00 C ATOM 957 CG ASN A 57 97.141 6.409 -6.146 1.00 0.00 C ATOM 958 OD1 ASN A 57 96.381 6.330 -7.091 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.120 5.495 -5.221 1.00 0.00 N ATOM 0 H ASN A 57 98.131 9.419 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 57 98.143 9.390 -7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.004 7.357 -6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.549 7.588 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.467 4.715 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.757 5.559 -4.427 1.00 0.00 H new ATOM 966 N TRP A 58 95.109 8.965 -6.087 1.00 0.00 N ATOM 967 CA TRP A 58 93.700 8.841 -6.581 1.00 0.00 C ATOM 968 C TRP A 58 93.467 9.852 -7.707 1.00 0.00 C ATOM 969 O TRP A 58 92.974 9.521 -8.766 1.00 0.00 O ATOM 970 CB TRP A 58 92.708 9.147 -5.451 1.00 0.00 C ATOM 971 CG TRP A 58 92.321 7.901 -4.713 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.048 7.533 -4.447 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.170 6.875 -4.121 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.060 6.345 -3.741 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.343 5.902 -3.512 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.558 6.691 -4.056 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.876 4.794 -2.859 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.098 5.574 -3.396 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.258 4.630 -2.798 1.00 0.00 C ATOM 0 H TRP A 58 95.207 9.176 -5.094 1.00 0.00 H new ATOM 0 HA TRP A 58 93.547 7.823 -6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.153 9.860 -4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 58 91.817 9.619 -5.865 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.164 8.080 -4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.221 5.856 -3.428 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.217 7.412 -4.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.222 4.066 -2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.169 5.444 -3.350 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.680 3.775 -2.290 1.00 0.00 H new ATOM 990 N ALA A 59 93.798 11.094 -7.479 1.00 0.00 N ATOM 991 CA ALA A 59 93.574 12.132 -8.525 1.00 0.00 C ATOM 992 C ALA A 59 94.767 12.194 -9.482 1.00 0.00 C ATOM 993 O ALA A 59 94.901 13.124 -10.252 1.00 0.00 O ATOM 994 CB ALA A 59 93.394 13.495 -7.853 1.00 0.00 C ATOM 0 H ALA A 59 94.214 11.435 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 59 92.680 11.874 -9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.230 14.257 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.535 13.460 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.289 13.740 -7.281 1.00 0.00 H new ATOM 1000 N ILE A 60 95.635 11.221 -9.450 1.00 0.00 N ATOM 1001 CA ILE A 60 96.808 11.251 -10.370 1.00 0.00 C ATOM 1002 C ILE A 60 97.127 9.835 -10.853 1.00 0.00 C ATOM 1003 O ILE A 60 96.914 9.497 -12.000 1.00 0.00 O ATOM 1004 CB ILE A 60 98.021 11.821 -9.634 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.569 12.953 -8.709 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.025 12.366 -10.652 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.173 14.171 -9.545 1.00 0.00 C ATOM 0 H ILE A 60 95.584 10.411 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 60 96.572 11.880 -11.229 1.00 0.00 H new ATOM 0 HB ILE A 60 98.492 11.034 -9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 60 96.725 12.625 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.372 13.217 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.890 12.773 -10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.346 11.561 -11.313 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.555 13.153 -11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.851 14.976 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 60 98.029 14.503 -10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.356 13.903 -10.215 1.00 0.00 H new ATOM 1019 N HIS A 61 97.643 9.008 -9.988 1.00 0.00 N ATOM 1020 CA HIS A 61 97.986 7.616 -10.396 1.00 0.00 C ATOM 1021 C HIS A 61 96.751 6.929 -10.991 1.00 0.00 C ATOM 1022 O HIS A 61 96.666 6.715 -12.184 1.00 0.00 O ATOM 1023 CB HIS A 61 98.480 6.842 -9.166 1.00 0.00 C ATOM 1024 CG HIS A 61 98.390 5.360 -9.415 1.00 0.00 C ATOM 1025 ND1 HIS A 61 99.150 4.726 -10.384 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.634 4.377 -8.827 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.839 3.417 -10.349 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.920 3.150 -9.418 1.00 0.00 N ATOM 0 H HIS A 61 97.843 9.236 -9.014 1.00 0.00 H new ATOM 0 HA HIS A 61 98.771 7.636 -11.152 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.510 7.119 -8.942 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.882 7.109 -8.295 1.00 0.00 H new ATOM 0 HD1 HIS A 61 99.822 5.170 -11.010 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.925 4.532 -8.027 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.280 2.673 -10.996 1.00 0.00 H new ATOM 1036 N THR A 62 95.800 6.571 -10.169 1.00 0.00 N ATOM 1037 CA THR A 62 94.579 5.889 -10.690 1.00 0.00 C ATOM 1038 C THR A 62 94.117 6.567 -11.983 1.00 0.00 C ATOM 1039 O THR A 62 93.522 5.945 -12.840 1.00 0.00 O ATOM 1040 CB THR A 62 93.459 5.967 -9.648 1.00 0.00 C ATOM 1041 OG1 THR A 62 93.132 7.326 -9.414 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.920 5.319 -8.341 1.00 0.00 C ATOM 0 H THR A 62 95.816 6.721 -9.160 1.00 0.00 H new ATOM 0 HA THR A 62 94.815 4.844 -10.893 1.00 0.00 H new ATOM 0 HB THR A 62 92.582 5.437 -10.019 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.917 7.795 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 62 93.119 5.377 -7.604 1.00 0.00 H new ATOM 0 HG22 THR A 62 94.171 4.274 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.798 5.843 -7.965 1.00 0.00 H new ATOM 1050 N GLY A 63 94.387 7.835 -12.131 1.00 0.00 N ATOM 1051 CA GLY A 63 93.961 8.546 -13.371 1.00 0.00 C ATOM 1052 C GLY A 63 92.493 8.955 -13.250 1.00 0.00 C ATOM 1053 O GLY A 63 91.619 8.349 -13.835 1.00 0.00 O ATOM 0 H GLY A 63 94.883 8.409 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.583 9.427 -13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 63 94.099 7.900 -14.238 1.00 0.00 H new ATOM 1057 N LYS A 64 92.215 9.983 -12.495 1.00 0.00 N ATOM 1058 CA LYS A 64 90.802 10.432 -12.337 1.00 0.00 C ATOM 1059 C LYS A 64 90.778 11.923 -11.996 1.00 0.00 C ATOM 1060 O LYS A 64 89.905 12.395 -11.296 1.00 0.00 O ATOM 1061 CB LYS A 64 90.140 9.642 -11.206 1.00 0.00 C ATOM 1062 CG LYS A 64 89.422 8.424 -11.787 1.00 0.00 C ATOM 1063 CD LYS A 64 88.478 7.838 -10.734 1.00 0.00 C ATOM 1064 CE LYS A 64 89.270 6.942 -9.781 1.00 0.00 C ATOM 1065 NZ LYS A 64 89.019 5.513 -10.119 1.00 0.00 N ATOM 0 H LYS A 64 92.905 10.531 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 64 90.260 10.261 -13.267 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.891 9.324 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.431 10.275 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.860 8.710 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 90.149 7.673 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 64 87.994 8.640 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.688 7.264 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 64 90.335 7.163 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.976 7.140 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 89.557 4.903 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 88.004 5.307 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 89.320 5.330 -11.097 1.00 0.00 H new ATOM 1079 N HIS A 65 91.731 12.667 -12.484 1.00 0.00 N ATOM 1080 CA HIS A 65 91.762 14.127 -12.185 1.00 0.00 C ATOM 1081 C HIS A 65 93.121 14.700 -12.603 1.00 0.00 C ATOM 1082 O HIS A 65 94.079 13.978 -12.797 1.00 0.00 O ATOM 1083 CB HIS A 65 91.541 14.337 -10.678 1.00 0.00 C ATOM 1084 CG HIS A 65 92.116 15.661 -10.244 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.403 16.846 -10.340 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.336 16.000 -9.713 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.194 17.833 -9.878 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.384 17.371 -9.484 1.00 0.00 N ATOM 0 H HIS A 65 92.489 12.328 -13.076 1.00 0.00 H new ATOM 0 HA HIS A 65 90.974 14.639 -12.738 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.475 14.304 -10.452 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.011 13.528 -10.119 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.137 15.307 -9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 65 91.902 18.872 -9.832 1.00 0.00 H new ATOM 0 HE2 HIS A 65 94.161 17.908 -9.098 1.00 0.00 H new ATOM 1096 N GLN A 66 93.207 15.995 -12.732 1.00 0.00 N ATOM 1097 CA GLN A 66 94.497 16.625 -13.126 1.00 0.00 C ATOM 1098 C GLN A 66 94.614 17.989 -12.433 1.00 0.00 C ATOM 1099 O GLN A 66 93.663 18.744 -12.401 1.00 0.00 O ATOM 1100 CB GLN A 66 94.529 16.815 -14.645 1.00 0.00 C ATOM 1101 CG GLN A 66 94.998 15.519 -15.311 1.00 0.00 C ATOM 1102 CD GLN A 66 95.606 15.837 -16.679 1.00 0.00 C ATOM 1103 OE1 GLN A 66 96.758 15.544 -16.928 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.873 16.427 -17.584 1.00 0.00 N ATOM 0 H GLN A 66 92.436 16.646 -12.581 1.00 0.00 H new ATOM 0 HA GLN A 66 95.329 15.987 -12.828 1.00 0.00 H new ATOM 0 HB2 GLN A 66 93.538 17.086 -15.009 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.199 17.634 -14.906 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.735 15.020 -14.681 1.00 0.00 H new ATOM 0 HG3 GLN A 66 94.159 14.832 -15.425 1.00 0.00 H new ATOM 0 HE21 GLN A 66 93.905 16.673 -17.375 1.00 0.00 H new ATOM 0 HE22 GLN A 66 95.268 16.642 -18.500 1.00 0.00 H new ATOM 1113 N PRO A 67 95.776 18.262 -11.890 1.00 0.00 N ATOM 1114 CA PRO A 67 96.038 19.529 -11.184 1.00 0.00 C ATOM 1115 C PRO A 67 96.253 20.668 -12.183 1.00 0.00 C ATOM 1116 O PRO A 67 97.216 20.685 -12.923 1.00 0.00 O ATOM 1117 CB PRO A 67 97.317 19.241 -10.393 1.00 0.00 C ATOM 1118 CG PRO A 67 98.016 18.061 -11.110 1.00 0.00 C ATOM 1119 CD PRO A 67 96.931 17.343 -11.933 1.00 0.00 C ATOM 0 HA PRO A 67 95.211 19.843 -10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 67 97.964 20.118 -10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.085 18.985 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.818 18.420 -11.755 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.468 17.381 -10.388 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.260 17.165 -12.957 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.683 16.372 -11.504 1.00 0.00 H new ATOM 1127 N GLY A 68 95.361 21.620 -12.208 1.00 0.00 N ATOM 1128 CA GLY A 68 95.509 22.758 -13.157 1.00 0.00 C ATOM 1129 C GLY A 68 94.359 22.735 -14.166 1.00 0.00 C ATOM 1130 O GLY A 68 94.157 23.671 -14.913 1.00 0.00 O ATOM 0 H GLY A 68 94.535 21.658 -11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 68 95.510 23.702 -12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.464 22.690 -13.677 1.00 0.00 H new ATOM 1134 N ILE A 69 93.603 21.671 -14.193 1.00 0.00 N ATOM 1135 CA ILE A 69 92.466 21.587 -15.152 1.00 0.00 C ATOM 1136 C ILE A 69 91.149 21.482 -14.375 1.00 0.00 C ATOM 1137 O ILE A 69 90.080 21.651 -14.925 1.00 0.00 O ATOM 1138 CB ILE A 69 92.652 20.353 -16.046 1.00 0.00 C ATOM 1139 CG1 ILE A 69 93.643 20.687 -17.166 1.00 0.00 C ATOM 1140 CG2 ILE A 69 91.312 19.942 -16.665 1.00 0.00 C ATOM 1141 CD1 ILE A 69 94.920 19.862 -16.984 1.00 0.00 C ATOM 0 H ILE A 69 93.724 20.856 -13.592 1.00 0.00 H new ATOM 0 HA ILE A 69 92.438 22.481 -15.775 1.00 0.00 H new ATOM 0 HB ILE A 69 93.033 19.530 -15.442 1.00 0.00 H new ATOM 0 HG12 ILE A 69 93.196 20.474 -18.137 1.00 0.00 H new ATOM 0 HG13 ILE A 69 93.880 21.751 -17.151 1.00 0.00 H new ATOM 0 HG21 ILE A 69 91.457 19.066 -17.297 1.00 0.00 H new ATOM 0 HG22 ILE A 69 90.603 19.705 -15.872 1.00 0.00 H new ATOM 0 HG23 ILE A 69 90.922 20.763 -17.267 1.00 0.00 H new ATOM 0 HD11 ILE A 69 95.624 20.101 -17.781 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.371 20.097 -16.020 1.00 0.00 H new ATOM 0 HD13 ILE A 69 94.676 18.800 -17.021 1.00 0.00 H new ATOM 1153 N ASP A 70 91.217 21.206 -13.101 1.00 0.00 N ATOM 1154 CA ASP A 70 89.965 21.094 -12.299 1.00 0.00 C ATOM 1155 C ASP A 70 90.305 21.119 -10.807 1.00 0.00 C ATOM 1156 O ASP A 70 91.454 21.210 -10.422 1.00 0.00 O ATOM 1157 CB ASP A 70 89.253 19.784 -12.641 1.00 0.00 C ATOM 1158 CG ASP A 70 87.766 20.059 -12.874 1.00 0.00 C ATOM 1159 OD1 ASP A 70 87.160 20.689 -12.024 1.00 0.00 O ATOM 1160 OD2 ASP A 70 87.258 19.632 -13.899 1.00 0.00 O ATOM 0 H ASP A 70 92.082 21.054 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 70 89.310 21.934 -12.533 1.00 0.00 H new ATOM 0 HB2 ASP A 70 89.696 19.339 -13.532 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.379 19.067 -11.830 1.00 0.00 H new ATOM 1165 N LYS A 71 89.311 21.040 -9.963 1.00 0.00 N ATOM 1166 CA LYS A 71 89.570 21.062 -8.495 1.00 0.00 C ATOM 1167 C LYS A 71 90.126 19.705 -8.049 1.00 0.00 C ATOM 1168 O LYS A 71 89.950 18.712 -8.726 1.00 0.00 O ATOM 1169 CB LYS A 71 88.261 21.340 -7.753 1.00 0.00 C ATOM 1170 CG LYS A 71 88.162 22.832 -7.428 1.00 0.00 C ATOM 1171 CD LYS A 71 86.777 23.137 -6.857 1.00 0.00 C ATOM 1172 CE LYS A 71 86.898 23.463 -5.368 1.00 0.00 C ATOM 1173 NZ LYS A 71 86.721 24.929 -5.164 1.00 0.00 N ATOM 0 H LYS A 71 88.329 20.961 -10.228 1.00 0.00 H new ATOM 0 HA LYS A 71 90.295 21.844 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.412 21.034 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.220 20.754 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.933 23.111 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 88.335 23.423 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 71 86.330 23.977 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 71 86.117 22.282 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.146 22.913 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.872 23.148 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 86.803 25.151 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 87.454 25.444 -5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.782 25.216 -5.506 1.00 0.00 H new ATOM 1187 N PRO A 72 90.778 19.707 -6.914 1.00 0.00 N ATOM 1188 CA PRO A 72 91.372 18.489 -6.335 1.00 0.00 C ATOM 1189 C PRO A 72 90.289 17.635 -5.668 1.00 0.00 C ATOM 1190 O PRO A 72 89.985 16.546 -6.111 1.00 0.00 O ATOM 1191 CB PRO A 72 92.359 19.031 -5.295 1.00 0.00 C ATOM 1192 CG PRO A 72 91.875 20.457 -4.936 1.00 0.00 C ATOM 1193 CD PRO A 72 90.984 20.925 -6.102 1.00 0.00 C ATOM 0 HA PRO A 72 91.851 17.849 -7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.381 18.394 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.372 19.054 -5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.317 20.453 -4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 72 92.721 21.131 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.037 21.329 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.467 21.712 -6.681 1.00 0.00 H new ATOM 1201 N ASP A 73 89.704 18.124 -4.610 1.00 0.00 N ATOM 1202 CA ASP A 73 88.641 17.344 -3.917 1.00 0.00 C ATOM 1203 C ASP A 73 89.275 16.193 -3.130 1.00 0.00 C ATOM 1204 O ASP A 73 89.357 15.083 -3.618 1.00 0.00 O ATOM 1205 CB ASP A 73 87.667 16.779 -4.953 1.00 0.00 C ATOM 1206 CG ASP A 73 87.383 17.838 -6.020 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.597 18.730 -5.747 1.00 0.00 O ATOM 1208 OD2 ASP A 73 87.957 17.739 -7.092 1.00 0.00 O ATOM 0 H ASP A 73 89.917 19.031 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 73 88.104 17.997 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 73 88.089 15.886 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.738 16.478 -4.468 1.00 0.00 H new ATOM 1213 N PRO A 74 89.703 16.496 -1.932 1.00 0.00 N ATOM 1214 CA PRO A 74 90.336 15.508 -1.041 1.00 0.00 C ATOM 1215 C PRO A 74 89.273 14.618 -0.387 1.00 0.00 C ATOM 1216 O PRO A 74 89.584 13.664 0.298 1.00 0.00 O ATOM 1217 CB PRO A 74 91.044 16.372 0.008 1.00 0.00 C ATOM 1218 CG PRO A 74 90.324 17.742 0.001 1.00 0.00 C ATOM 1219 CD PRO A 74 89.597 17.852 -1.353 1.00 0.00 C ATOM 0 HA PRO A 74 91.017 14.835 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.990 15.909 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 74 92.101 16.487 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.616 17.812 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 74 91.039 18.556 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.556 18.150 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.064 18.598 -1.997 1.00 0.00 H new ATOM 1227 N LYS A 75 88.021 14.925 -0.591 1.00 0.00 N ATOM 1228 CA LYS A 75 86.942 14.098 0.020 1.00 0.00 C ATOM 1229 C LYS A 75 86.652 12.891 -0.875 1.00 0.00 C ATOM 1230 O LYS A 75 86.322 11.822 -0.402 1.00 0.00 O ATOM 1231 CB LYS A 75 85.675 14.941 0.163 1.00 0.00 C ATOM 1232 CG LYS A 75 86.007 16.242 0.895 1.00 0.00 C ATOM 1233 CD LYS A 75 84.721 16.858 1.450 1.00 0.00 C ATOM 1234 CE LYS A 75 84.549 18.271 0.890 1.00 0.00 C ATOM 1235 NZ LYS A 75 85.669 19.132 1.365 1.00 0.00 N ATOM 0 H LYS A 75 87.699 15.712 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 75 87.263 13.752 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.259 15.161 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.916 14.385 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 75 86.709 16.047 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 86.493 16.941 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.864 16.241 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.761 16.889 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 75 84.534 18.243 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 75 83.594 18.687 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 85.350 20.121 1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 85.971 18.819 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 86.469 19.058 0.704 1.00 0.00 H new ATOM 1249 N THR A 76 86.770 13.052 -2.164 1.00 0.00 N ATOM 1250 CA THR A 76 86.499 11.912 -3.086 1.00 0.00 C ATOM 1251 C THR A 76 87.769 11.073 -3.247 1.00 0.00 C ATOM 1252 O THR A 76 87.741 9.987 -3.791 1.00 0.00 O ATOM 1253 CB THR A 76 86.070 12.453 -4.451 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.084 13.460 -4.271 1.00 0.00 O ATOM 1255 CG2 THR A 76 85.491 11.315 -5.295 1.00 0.00 C ATOM 0 H THR A 76 87.042 13.923 -2.619 1.00 0.00 H new ATOM 0 HA THR A 76 85.703 11.292 -2.673 1.00 0.00 H new ATOM 0 HB THR A 76 86.935 12.877 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.809 13.809 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 76 85.186 11.702 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 76 86.248 10.543 -5.433 1.00 0.00 H new ATOM 0 HG23 THR A 76 84.626 10.888 -4.787 1.00 0.00 H new ATOM 1263 N TRP A 77 88.883 11.565 -2.778 1.00 0.00 N ATOM 1264 CA TRP A 77 90.152 10.794 -2.906 1.00 0.00 C ATOM 1265 C TRP A 77 90.161 9.646 -1.893 1.00 0.00 C ATOM 1266 O TRP A 77 91.096 8.872 -1.829 1.00 0.00 O ATOM 1267 CB TRP A 77 91.340 11.717 -2.636 1.00 0.00 C ATOM 1268 CG TRP A 77 91.452 12.725 -3.734 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.776 12.677 -4.906 1.00 0.00 C ATOM 1270 CD2 TRP A 77 92.275 13.926 -3.785 1.00 0.00 C ATOM 1271 NE1 TRP A 77 91.133 13.773 -5.672 1.00 0.00 N ATOM 1272 CE2 TRP A 77 92.055 14.571 -5.025 1.00 0.00 C ATOM 1273 CE3 TRP A 77 93.183 14.511 -2.885 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.711 15.756 -5.359 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.847 15.704 -3.218 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.611 16.325 -4.453 1.00 0.00 C ATOM 0 H TRP A 77 88.969 12.468 -2.312 1.00 0.00 H new ATOM 0 HA TRP A 77 90.227 10.389 -3.915 1.00 0.00 H new ATOM 0 HB2 TRP A 77 91.212 12.221 -1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 77 92.258 11.134 -2.569 1.00 0.00 H new ATOM 0 HD1 TRP A 77 90.074 11.910 -5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.760 13.967 -6.601 1.00 0.00 H new ATOM 0 HE3 TRP A 77 93.371 14.040 -1.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.525 16.231 -6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.543 16.145 -2.519 1.00 0.00 H new ATOM 0 HH2 TRP A 77 94.124 17.242 -4.704 1.00 0.00 H new ATOM 1287 N LYS A 78 89.133 9.530 -1.098 1.00 0.00 N ATOM 1288 CA LYS A 78 89.091 8.433 -0.090 1.00 0.00 C ATOM 1289 C LYS A 78 87.920 7.498 -0.398 1.00 0.00 C ATOM 1290 O LYS A 78 87.980 6.309 -0.151 1.00 0.00 O ATOM 1291 CB LYS A 78 88.911 9.034 1.307 1.00 0.00 C ATOM 1292 CG LYS A 78 89.205 7.968 2.366 1.00 0.00 C ATOM 1293 CD LYS A 78 87.888 7.418 2.916 1.00 0.00 C ATOM 1294 CE LYS A 78 88.040 5.921 3.200 1.00 0.00 C ATOM 1295 NZ LYS A 78 86.690 5.305 3.348 1.00 0.00 N ATOM 0 H LYS A 78 88.321 10.147 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 78 90.023 7.869 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 78 89.580 9.885 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.894 9.408 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 78 89.795 7.161 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.798 8.397 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 78 87.614 7.946 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.084 7.583 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 78 88.585 5.439 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 78 88.623 5.769 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 86.792 4.303 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 86.161 5.803 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 86.174 5.378 2.448 1.00 0.00 H new ATOM 1309 N ALA A 79 86.852 8.024 -0.932 1.00 0.00 N ATOM 1310 CA ALA A 79 85.676 7.167 -1.255 1.00 0.00 C ATOM 1311 C ALA A 79 86.119 5.994 -2.133 1.00 0.00 C ATOM 1312 O ALA A 79 85.678 4.875 -1.959 1.00 0.00 O ATOM 1313 CB ALA A 79 84.630 7.999 -2.003 1.00 0.00 C ATOM 0 H ALA A 79 86.743 9.012 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 79 85.244 6.782 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.769 7.374 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 79 84.312 8.832 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 79 85.064 8.384 -2.926 1.00 0.00 H new ATOM 1319 N ASN A 80 86.985 6.241 -3.078 1.00 0.00 N ATOM 1320 CA ASN A 80 87.451 5.141 -3.969 1.00 0.00 C ATOM 1321 C ASN A 80 88.280 4.138 -3.163 1.00 0.00 C ATOM 1322 O ASN A 80 88.304 2.960 -3.458 1.00 0.00 O ATOM 1323 CB ASN A 80 88.312 5.728 -5.091 1.00 0.00 C ATOM 1324 CG ASN A 80 87.406 6.293 -6.188 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.596 6.010 -7.353 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.424 7.088 -5.860 1.00 0.00 N ATOM 0 H ASN A 80 87.390 7.157 -3.271 1.00 0.00 H new ATOM 0 HA ASN A 80 86.587 4.632 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.956 6.514 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.964 4.958 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 80 85.815 7.472 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.265 7.325 -4.881 1.00 0.00 H new ATOM 1333 N PHE A 81 88.964 4.594 -2.148 1.00 0.00 N ATOM 1334 CA PHE A 81 89.791 3.662 -1.331 1.00 0.00 C ATOM 1335 C PHE A 81 88.912 2.537 -0.783 1.00 0.00 C ATOM 1336 O PHE A 81 89.157 1.372 -1.023 1.00 0.00 O ATOM 1337 CB PHE A 81 90.427 4.422 -0.166 1.00 0.00 C ATOM 1338 CG PHE A 81 91.799 3.855 0.109 1.00 0.00 C ATOM 1339 CD1 PHE A 81 91.933 2.524 0.523 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.936 4.654 -0.055 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.204 1.994 0.774 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.208 4.123 0.195 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.341 2.794 0.610 1.00 0.00 C ATOM 0 H PHE A 81 88.985 5.569 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 81 90.575 3.238 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.500 5.483 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.801 4.338 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.056 1.907 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.833 5.681 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.307 0.968 1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.085 4.740 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.321 2.385 0.804 1.00 0.00 H new ATOM 1353 N ARG A 82 87.890 2.872 -0.044 1.00 0.00 N ATOM 1354 CA ARG A 82 87.004 1.813 0.514 1.00 0.00 C ATOM 1355 C ARG A 82 86.579 0.864 -0.608 1.00 0.00 C ATOM 1356 O ARG A 82 86.362 -0.312 -0.390 1.00 0.00 O ATOM 1357 CB ARG A 82 85.763 2.460 1.132 1.00 0.00 C ATOM 1358 CG ARG A 82 84.798 1.368 1.600 1.00 0.00 C ATOM 1359 CD ARG A 82 83.711 1.160 0.544 1.00 0.00 C ATOM 1360 NE ARG A 82 82.371 1.227 1.192 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.298 1.405 0.467 1.00 0.00 C ATOM 1362 NH1 ARG A 82 81.394 1.524 -0.830 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.127 1.463 1.041 1.00 0.00 N ATOM 0 H ARG A 82 87.631 3.829 0.196 1.00 0.00 H new ATOM 0 HA ARG A 82 87.541 1.254 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.050 3.092 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.274 3.104 0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.340 0.437 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.347 1.650 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.791 1.923 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.843 0.194 0.056 1.00 0.00 H new ATOM 0 HE ARG A 82 82.291 1.134 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.308 1.478 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 82 80.555 1.663 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 82 80.050 1.369 2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 82 79.289 1.602 0.477 1.00 0.00 H new ATOM 1377 N CYS A 83 86.459 1.364 -1.807 1.00 0.00 N ATOM 1378 CA CYS A 83 86.049 0.490 -2.941 1.00 0.00 C ATOM 1379 C CYS A 83 87.168 -0.507 -3.247 1.00 0.00 C ATOM 1380 O CYS A 83 86.925 -1.663 -3.529 1.00 0.00 O ATOM 1381 CB CYS A 83 85.782 1.349 -4.178 1.00 0.00 C ATOM 1382 SG CYS A 83 84.577 2.636 -3.769 1.00 0.00 S ATOM 0 H CYS A 83 86.627 2.340 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 83 85.142 -0.051 -2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.710 1.802 -4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.405 0.728 -4.991 1.00 0.00 H new ATOM 0 HG CYS A 83 85.153 3.559 -3.057 1.00 0.00 H new ATOM 1388 N ALA A 84 88.393 -0.065 -3.190 1.00 0.00 N ATOM 1389 CA ALA A 84 89.532 -0.982 -3.472 1.00 0.00 C ATOM 1390 C ALA A 84 89.389 -2.247 -2.629 1.00 0.00 C ATOM 1391 O ALA A 84 89.948 -3.279 -2.941 1.00 0.00 O ATOM 1392 CB ALA A 84 90.845 -0.275 -3.131 1.00 0.00 C ATOM 0 H ALA A 84 88.655 0.894 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 84 89.532 -1.255 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.682 -0.943 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.942 0.625 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.848 -0.003 -2.076 1.00 0.00 H new ATOM 1398 N MET A 85 88.638 -2.183 -1.566 1.00 0.00 N ATOM 1399 CA MET A 85 88.456 -3.389 -0.717 1.00 0.00 C ATOM 1400 C MET A 85 87.240 -4.170 -1.212 1.00 0.00 C ATOM 1401 O MET A 85 87.211 -5.384 -1.180 1.00 0.00 O ATOM 1402 CB MET A 85 88.259 -2.960 0.736 1.00 0.00 C ATOM 1403 CG MET A 85 89.265 -1.853 1.089 1.00 0.00 C ATOM 1404 SD MET A 85 90.888 -2.217 0.354 1.00 0.00 S ATOM 1405 CE MET A 85 91.423 -0.503 0.145 1.00 0.00 C ATOM 0 H MET A 85 88.144 -1.349 -1.250 1.00 0.00 H new ATOM 0 HA MET A 85 89.337 -4.027 -0.778 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.241 -2.601 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 85 88.395 -3.814 1.399 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.901 -0.892 0.726 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.359 -1.769 2.172 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.208 -0.456 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.577 0.106 -0.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.808 -0.124 1.092 1.00 0.00 H new ATOM 1415 N ASN A 86 86.241 -3.482 -1.689 1.00 0.00 N ATOM 1416 CA ASN A 86 85.040 -4.189 -2.206 1.00 0.00 C ATOM 1417 C ASN A 86 85.345 -4.719 -3.613 1.00 0.00 C ATOM 1418 O ASN A 86 84.492 -5.271 -4.278 1.00 0.00 O ATOM 1419 CB ASN A 86 83.845 -3.217 -2.235 1.00 0.00 C ATOM 1420 CG ASN A 86 83.713 -2.555 -3.614 1.00 0.00 C ATOM 1421 OD1 ASN A 86 84.256 -1.496 -3.850 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.005 -3.143 -4.539 1.00 0.00 N ATOM 0 H ASN A 86 86.205 -2.464 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 86 84.785 -5.028 -1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 86 82.928 -3.755 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.975 -2.451 -1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.909 -2.712 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 86 82.548 -4.033 -4.342 1.00 0.00 H new ATOM 1429 N SER A 87 86.558 -4.546 -4.074 1.00 0.00 N ATOM 1430 CA SER A 87 86.915 -5.030 -5.431 1.00 0.00 C ATOM 1431 C SER A 87 87.672 -6.340 -5.319 1.00 0.00 C ATOM 1432 O SER A 87 87.639 -6.979 -4.293 1.00 0.00 O ATOM 1433 CB SER A 87 87.784 -3.986 -6.133 1.00 0.00 C ATOM 1434 OG SER A 87 87.736 -4.201 -7.538 1.00 0.00 O ATOM 0 H SER A 87 87.314 -4.089 -3.564 1.00 0.00 H new ATOM 0 HA SER A 87 86.007 -5.190 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.431 -2.983 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.812 -4.054 -5.778 1.00 0.00 H new ATOM 0 HG SER A 87 88.291 -3.532 -7.990 1.00 0.00 H new ATOM 1440 N LEU A 88 88.348 -6.729 -6.372 1.00 0.00 N ATOM 1441 CA LEU A 88 89.124 -8.008 -6.377 1.00 0.00 C ATOM 1442 C LEU A 88 88.438 -9.054 -5.477 1.00 0.00 C ATOM 1443 O LEU A 88 88.505 -8.977 -4.267 1.00 0.00 O ATOM 1444 CB LEU A 88 90.553 -7.752 -5.869 1.00 0.00 C ATOM 1445 CG LEU A 88 90.845 -6.245 -5.779 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.521 -5.731 -4.371 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.326 -6.001 -6.075 1.00 0.00 C ATOM 0 H LEU A 88 88.395 -6.204 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 88 89.163 -8.389 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.681 -8.210 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.271 -8.226 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 88 90.227 -5.716 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.731 -4.663 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.467 -5.905 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.134 -6.259 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.539 -4.934 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.936 -6.536 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.561 -6.360 -7.077 1.00 0.00 H new ATOM 1459 N PRO A 89 87.793 -10.015 -6.097 1.00 0.00 N ATOM 1460 CA PRO A 89 87.065 -11.081 -5.374 1.00 0.00 C ATOM 1461 C PRO A 89 88.009 -12.086 -4.693 1.00 0.00 C ATOM 1462 O PRO A 89 87.640 -13.216 -4.442 1.00 0.00 O ATOM 1463 CB PRO A 89 86.228 -11.751 -6.467 1.00 0.00 C ATOM 1464 CG PRO A 89 86.913 -11.416 -7.810 1.00 0.00 C ATOM 1465 CD PRO A 89 87.743 -10.143 -7.569 1.00 0.00 C ATOM 0 HA PRO A 89 86.464 -10.682 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.181 -12.829 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.203 -11.382 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.549 -12.238 -8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.173 -11.254 -8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.742 -10.233 -7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.278 -9.271 -8.029 1.00 0.00 H new ATOM 1473 N ASP A 90 89.209 -11.687 -4.370 1.00 0.00 N ATOM 1474 CA ASP A 90 90.144 -12.615 -3.683 1.00 0.00 C ATOM 1475 C ASP A 90 90.651 -11.947 -2.400 1.00 0.00 C ATOM 1476 O ASP A 90 91.364 -12.544 -1.618 1.00 0.00 O ATOM 1477 CB ASP A 90 91.330 -12.931 -4.601 1.00 0.00 C ATOM 1478 CG ASP A 90 91.605 -11.740 -5.521 1.00 0.00 C ATOM 1479 OD1 ASP A 90 92.280 -10.823 -5.084 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.136 -11.765 -6.646 1.00 0.00 O ATOM 0 H ASP A 90 89.581 -10.755 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 90 89.628 -13.543 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.215 -13.153 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.115 -13.819 -5.195 1.00 0.00 H new ATOM 1485 N ILE A 91 90.291 -10.707 -2.174 1.00 0.00 N ATOM 1486 CA ILE A 91 90.762 -10.009 -0.943 1.00 0.00 C ATOM 1487 C ILE A 91 89.885 -10.415 0.248 1.00 0.00 C ATOM 1488 O ILE A 91 88.684 -10.557 0.129 1.00 0.00 O ATOM 1489 CB ILE A 91 90.717 -8.475 -1.155 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.450 -7.859 -0.554 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.729 -8.140 -2.643 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.561 -6.331 -0.627 1.00 0.00 C ATOM 0 H ILE A 91 89.694 -10.152 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 91 91.792 -10.298 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 91 91.596 -8.065 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.570 -8.200 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.329 -8.180 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.697 -7.058 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.639 -8.533 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.860 -8.589 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.664 -5.880 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.434 -6.002 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.663 -6.023 -1.668 1.00 0.00 H new ATOM 1504 N GLU A 92 90.477 -10.593 1.398 1.00 0.00 N ATOM 1505 CA GLU A 92 89.679 -10.977 2.597 1.00 0.00 C ATOM 1506 C GLU A 92 89.957 -9.988 3.730 1.00 0.00 C ATOM 1507 O GLU A 92 90.936 -10.097 4.441 1.00 0.00 O ATOM 1508 CB GLU A 92 90.065 -12.389 3.042 1.00 0.00 C ATOM 1509 CG GLU A 92 88.839 -13.095 3.625 1.00 0.00 C ATOM 1510 CD GLU A 92 89.187 -14.552 3.936 1.00 0.00 C ATOM 1511 OE1 GLU A 92 90.040 -15.096 3.254 1.00 0.00 O ATOM 1512 OE2 GLU A 92 88.595 -15.098 4.852 1.00 0.00 O ATOM 0 H GLU A 92 91.479 -10.489 1.559 1.00 0.00 H new ATOM 0 HA GLU A 92 88.618 -10.957 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.455 -12.954 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.859 -12.342 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.511 -12.587 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.011 -13.051 2.918 1.00 0.00 H new ATOM 1519 N GLU A 93 89.103 -9.017 3.893 1.00 0.00 N ATOM 1520 CA GLU A 93 89.312 -8.006 4.967 1.00 0.00 C ATOM 1521 C GLU A 93 89.283 -8.677 6.344 1.00 0.00 C ATOM 1522 O GLU A 93 88.430 -9.492 6.634 1.00 0.00 O ATOM 1523 CB GLU A 93 88.203 -6.957 4.889 1.00 0.00 C ATOM 1524 CG GLU A 93 86.898 -7.541 5.433 1.00 0.00 C ATOM 1525 CD GLU A 93 85.750 -6.568 5.160 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.022 -5.390 5.002 1.00 0.00 O ATOM 1527 OE2 GLU A 93 84.617 -7.018 5.111 1.00 0.00 O ATOM 0 H GLU A 93 88.266 -8.879 3.327 1.00 0.00 H new ATOM 0 HA GLU A 93 90.284 -7.533 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.484 -6.074 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.066 -6.636 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.693 -8.503 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.987 -7.723 6.504 1.00 0.00 H new ATOM 1534 N VAL A 94 90.210 -8.329 7.193 1.00 0.00 N ATOM 1535 CA VAL A 94 90.250 -8.928 8.556 1.00 0.00 C ATOM 1536 C VAL A 94 90.685 -7.859 9.561 1.00 0.00 C ATOM 1537 O VAL A 94 91.860 -7.668 9.809 1.00 0.00 O ATOM 1538 CB VAL A 94 91.250 -10.083 8.577 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.420 -10.584 10.012 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.730 -11.222 7.698 1.00 0.00 C ATOM 0 H VAL A 94 90.947 -7.651 6.999 1.00 0.00 H new ATOM 0 HA VAL A 94 89.261 -9.302 8.821 1.00 0.00 H new ATOM 0 HB VAL A 94 92.212 -9.739 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.133 -11.408 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.789 -9.773 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.459 -10.929 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.442 -12.047 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.769 -11.566 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.608 -10.866 6.675 1.00 0.00 H new ATOM 1550 N LYS A 95 89.749 -7.158 10.138 1.00 0.00 N ATOM 1551 CA LYS A 95 90.109 -6.097 11.122 1.00 0.00 C ATOM 1552 C LYS A 95 89.975 -6.648 12.536 1.00 0.00 C ATOM 1553 O LYS A 95 89.783 -5.922 13.491 1.00 0.00 O ATOM 1554 CB LYS A 95 89.168 -4.910 10.949 1.00 0.00 C ATOM 1555 CG LYS A 95 87.728 -5.415 11.012 1.00 0.00 C ATOM 1556 CD LYS A 95 86.805 -4.287 11.471 1.00 0.00 C ATOM 1557 CE LYS A 95 86.472 -4.477 12.952 1.00 0.00 C ATOM 1558 NZ LYS A 95 86.338 -3.146 13.608 1.00 0.00 N ATOM 0 H LYS A 95 88.749 -7.273 9.971 1.00 0.00 H new ATOM 0 HA LYS A 95 91.137 -5.777 10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.344 -4.171 11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.354 -4.416 9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.416 -5.777 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.658 -6.258 11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.287 -3.322 11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.890 -4.286 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.545 -5.041 13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.255 -5.057 13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 86.112 -3.276 14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 87.233 -2.624 13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 85.576 -2.608 13.149 1.00 0.00 H new ATOM 1727 N PHE A 106 93.585 -0.911 11.768 1.00 0.00 N ATOM 1728 CA PHE A 106 94.121 -2.093 11.047 1.00 0.00 C ATOM 1729 C PHE A 106 93.030 -2.822 10.265 1.00 0.00 C ATOM 1730 O PHE A 106 91.936 -3.049 10.744 1.00 0.00 O ATOM 1731 CB PHE A 106 94.731 -3.056 12.056 1.00 0.00 C ATOM 1732 CG PHE A 106 96.221 -2.898 12.014 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.883 -2.946 10.785 1.00 0.00 C ATOM 1734 CD2 PHE A 106 96.937 -2.686 13.192 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.267 -2.787 10.733 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.323 -2.524 13.144 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.992 -2.574 11.914 1.00 0.00 C ATOM 0 HA PHE A 106 94.872 -1.744 10.338 1.00 0.00 H new ATOM 0 HB2 PHE A 106 94.355 -2.846 13.057 1.00 0.00 H new ATOM 0 HB3 PHE A 106 94.451 -4.082 11.819 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.323 -3.106 9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 106 96.420 -2.647 14.140 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.780 -2.828 9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 106 98.879 -2.360 14.055 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.064 -2.449 11.876 1.00 0.00 H new ATOM 1747 N ARG A 107 93.355 -3.223 9.069 1.00 0.00 N ATOM 1748 CA ARG A 107 92.398 -3.984 8.222 1.00 0.00 C ATOM 1749 C ARG A 107 93.230 -4.954 7.379 1.00 0.00 C ATOM 1750 O ARG A 107 93.721 -4.615 6.316 1.00 0.00 O ATOM 1751 CB ARG A 107 91.608 -3.023 7.326 1.00 0.00 C ATOM 1752 CG ARG A 107 90.107 -3.244 7.513 1.00 0.00 C ATOM 1753 CD ARG A 107 89.331 -2.220 6.682 1.00 0.00 C ATOM 1754 NE ARG A 107 87.903 -2.220 7.107 1.00 0.00 N ATOM 1755 CZ ARG A 107 86.989 -1.684 6.341 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.322 -1.145 5.199 1.00 0.00 N ATOM 1757 NH2 ARG A 107 85.740 -1.690 6.717 1.00 0.00 N ATOM 0 H ARG A 107 94.262 -3.052 8.635 1.00 0.00 H new ATOM 0 HA ARG A 107 91.675 -4.527 8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.865 -1.992 7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.879 -3.181 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.837 -4.255 7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.843 -3.148 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.761 -1.227 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.407 -2.463 5.622 1.00 0.00 H new ATOM 0 HE ARG A 107 87.638 -2.639 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.298 -1.141 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.606 -0.728 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.478 -2.112 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.026 -1.272 6.121 1.00 0.00 H new ATOM 1771 N VAL A 108 93.444 -6.142 7.883 1.00 0.00 N ATOM 1772 CA VAL A 108 94.286 -7.128 7.155 1.00 0.00 C ATOM 1773 C VAL A 108 93.510 -7.778 6.013 1.00 0.00 C ATOM 1774 O VAL A 108 92.619 -8.574 6.222 1.00 0.00 O ATOM 1775 CB VAL A 108 94.774 -8.198 8.133 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.089 -8.791 7.626 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.012 -7.559 9.500 1.00 0.00 C ATOM 0 H VAL A 108 93.068 -6.470 8.773 1.00 0.00 H new ATOM 0 HA VAL A 108 95.140 -6.605 6.725 1.00 0.00 H new ATOM 0 HB VAL A 108 94.024 -8.984 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.437 -9.554 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.931 -9.240 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.837 -8.002 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.360 -8.318 10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.765 -6.776 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.081 -7.126 9.866 1.00 0.00 H new ATOM 1787 N TYR A 109 93.861 -7.447 4.802 1.00 0.00 N ATOM 1788 CA TYR A 109 93.171 -8.042 3.628 1.00 0.00 C ATOM 1789 C TYR A 109 93.997 -9.217 3.102 1.00 0.00 C ATOM 1790 O TYR A 109 95.186 -9.103 2.890 1.00 0.00 O ATOM 1791 CB TYR A 109 93.042 -6.988 2.528 1.00 0.00 C ATOM 1792 CG TYR A 109 91.819 -6.145 2.784 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.880 -5.085 3.694 1.00 0.00 C ATOM 1794 CD2 TYR A 109 90.626 -6.425 2.114 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.744 -4.305 3.933 1.00 0.00 C ATOM 1796 CE2 TYR A 109 89.490 -5.644 2.352 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.549 -4.584 3.263 1.00 0.00 C ATOM 1798 OH TYR A 109 88.429 -3.813 3.500 1.00 0.00 O ATOM 0 H TYR A 109 94.602 -6.784 4.575 1.00 0.00 H new ATOM 0 HA TYR A 109 92.180 -8.388 3.922 1.00 0.00 H new ATOM 0 HB2 TYR A 109 93.932 -6.359 2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 109 92.967 -7.471 1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.803 -4.869 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 109 90.580 -7.245 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.790 -3.486 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 109 88.568 -5.859 1.833 1.00 0.00 H new ATOM 0 HH TYR A 109 87.749 -4.354 3.953 1.00 0.00 H new ATOM 1808 N ARG A 110 93.378 -10.342 2.888 1.00 0.00 N ATOM 1809 CA ARG A 110 94.128 -11.520 2.372 1.00 0.00 C ATOM 1810 C ARG A 110 93.846 -11.681 0.879 1.00 0.00 C ATOM 1811 O ARG A 110 92.709 -11.760 0.459 1.00 0.00 O ATOM 1812 CB ARG A 110 93.677 -12.777 3.121 1.00 0.00 C ATOM 1813 CG ARG A 110 94.157 -14.024 2.375 1.00 0.00 C ATOM 1814 CD ARG A 110 94.436 -15.144 3.379 1.00 0.00 C ATOM 1815 NE ARG A 110 93.145 -15.720 3.851 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.128 -16.871 4.471 1.00 0.00 C ATOM 1817 NH1 ARG A 110 94.241 -17.522 4.677 1.00 0.00 N ATOM 1818 NH2 ARG A 110 91.996 -17.371 4.883 1.00 0.00 N ATOM 0 H ARG A 110 92.383 -10.498 3.048 1.00 0.00 H new ATOM 0 HA ARG A 110 95.197 -11.373 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 110 94.078 -12.771 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.591 -12.790 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.402 -14.344 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.060 -13.796 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 110 95.045 -15.920 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 110 95.004 -14.756 4.224 1.00 0.00 H new ATOM 0 HE ARG A 110 92.273 -15.215 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 110 95.127 -17.133 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 110 94.225 -18.420 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 110 91.126 -16.864 4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 110 91.981 -18.269 5.367 1.00 0.00 H new ATOM 1832 N MET A 111 94.869 -11.731 0.070 1.00 0.00 N ATOM 1833 CA MET A 111 94.649 -11.888 -1.393 1.00 0.00 C ATOM 1834 C MET A 111 94.899 -13.346 -1.787 1.00 0.00 C ATOM 1835 O MET A 111 96.012 -13.829 -1.740 1.00 0.00 O ATOM 1836 CB MET A 111 95.615 -10.977 -2.155 1.00 0.00 C ATOM 1837 CG MET A 111 95.323 -9.516 -1.805 1.00 0.00 C ATOM 1838 SD MET A 111 95.062 -8.572 -3.328 1.00 0.00 S ATOM 1839 CE MET A 111 96.773 -8.029 -3.555 1.00 0.00 C ATOM 0 H MET A 111 95.845 -11.670 0.359 1.00 0.00 H new ATOM 0 HA MET A 111 93.624 -11.614 -1.641 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.645 -11.225 -1.898 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.508 -11.133 -3.228 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.440 -9.453 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.154 -9.093 -1.240 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.845 -7.419 -4.455 1.00 0.00 H new ATOM 0 HE2 MET A 111 97.086 -7.441 -2.692 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.421 -8.900 -3.654 1.00 0.00 H new ATOM 1849 N LEU A 112 93.872 -14.055 -2.171 1.00 0.00 N ATOM 1850 CA LEU A 112 94.056 -15.480 -2.563 1.00 0.00 C ATOM 1851 C LEU A 112 94.566 -15.549 -4.006 1.00 0.00 C ATOM 1852 O LEU A 112 94.096 -14.822 -4.858 1.00 0.00 O ATOM 1853 CB LEU A 112 92.716 -16.212 -2.457 1.00 0.00 C ATOM 1854 CG LEU A 112 92.113 -15.976 -1.071 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.586 -15.968 -1.171 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.552 -17.097 -0.126 1.00 0.00 C ATOM 0 H LEU A 112 92.914 -13.708 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 112 94.781 -15.952 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.033 -15.855 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.858 -17.279 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 112 92.458 -15.016 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.158 -15.800 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.270 -15.171 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.242 -16.927 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.123 -16.929 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.207 -18.056 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.639 -17.106 -0.052 1.00 0.00 H new ATOM 1868 N PRO A 113 95.513 -16.423 -4.240 1.00 0.00 N ATOM 1869 CA PRO A 113 96.107 -16.606 -5.573 1.00 0.00 C ATOM 1870 C PRO A 113 95.180 -17.437 -6.462 1.00 0.00 C ATOM 1871 O PRO A 113 94.844 -18.541 -6.064 1.00 0.00 O ATOM 1872 CB PRO A 113 97.409 -17.353 -5.291 1.00 0.00 C ATOM 1873 CG PRO A 113 97.224 -18.043 -3.924 1.00 0.00 C ATOM 1874 CD PRO A 113 96.081 -17.305 -3.204 1.00 0.00 C ATOM 1875 OXT PRO A 113 94.824 -16.959 -7.526 1.00 0.00 O ATOM 0 HA PRO A 113 96.270 -15.666 -6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.614 -18.085 -6.072 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.255 -16.666 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.982 -19.098 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 113 98.143 -17.996 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.335 -18.002 -2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.450 -16.733 -2.352 1.00 0.00 H new