USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 669 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: C 77 ASN :FLIP amide:sc= -1.69 F(o=-13!,f=-5.8) USER MOD Set 1.2: C 80 ASN : amide:sc= -4.09! C(o=-5.8!,f=-13!) USER MOD Set 2.1: C 71 THR OG1 : rot -140:sc= 0.579 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.65 X(o=1.2,f=1.2) USER MOD Set 3.1: C 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.24) USER MOD Set 3.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 4.1: C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: C 93 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.9) USER MOD Single : C 9 GLN : amide:sc= 0.0415 X(o=0.041,f=-0.032) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : C 12 SER OG : rot 180:sc= 0.0761 USER MOD Single : C 14 ASN : amide:sc= -0.683 K(o=-0.68,f=-4.3!) USER MOD Single : C 15 SER OG : rot 73:sc= 0.748 USER MOD Single : C 17 ASN : amide:sc= -1.35 K(o=-1.3,f=-5!) USER MOD Single : C 22 LYS NZ :NH3+ -124:sc= 1.86 (180deg=-0.665) USER MOD Single : C 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 LYS NZ :NH3+ -106:sc= 0.86 (180deg=0.0217) USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 143:sc= -0.727 (180deg=-3.47!) USER MOD Single : C 32 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : C 34 ASN :FLIP amide:sc= -0.271 F(o=-1.4,f=-0.27) USER MOD Single : C 35 GLN : amide:sc= -3.92! C(o=-3.9!,f=-7.6!) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= -1.96! USER MOD Single : C 40 SER OG : rot 105:sc= -2.25! USER MOD Single : C 41 SER OG : rot 41:sc= 0.205 USER MOD Single : C 42 ASN : amide:sc= -2.55! C(o=-2.5!,f=-2.7!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc= 0.425 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.34 F(o=-2.9!,f=-0.34) USER MOD Single : C 59 ASN : amide:sc= -0.289 K(o=-0.29,f=-5.6!) USER MOD Single : C 62 LYS NZ :NH3+ -161:sc= -0.0756 (180deg=-0.45) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 120:sc= -3.25! USER MOD Single : C 67 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.4) USER MOD Single : C 69 LYS NZ :NH3+ 167:sc= 0.0204 (180deg=-0.261) USER MOD Single : C 70 SER OG : rot 83:sc= 0.291 USER MOD Single : C 76 SER OG : rot 75:sc= -2.81! USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN :FLIP amide:sc= -0.308 F(o=-1.4!,f=-0.31) USER MOD Single : C 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0423) USER MOD Single : C 88 TYR OH : rot 180:sc= 0 USER MOD Single : C 92 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.311) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -10.874 -3.832 -1.288 1.00 0.00 N ATOM 126 CA GLN C 9 -10.168 -3.822 -0.012 1.00 0.00 C ATOM 127 C GLN C 9 -10.294 -5.166 0.702 1.00 0.00 C ATOM 128 O GLN C 9 -10.034 -5.273 1.901 1.00 0.00 O ATOM 129 CB GLN C 9 -10.709 -2.690 0.858 1.00 0.00 C ATOM 130 CG GLN C 9 -10.370 -1.316 0.308 1.00 0.00 C ATOM 131 CD GLN C 9 -11.467 -0.302 0.544 1.00 0.00 C ATOM 132 OE1 GLN C 9 -11.490 0.388 1.563 1.00 0.00 O ATOM 133 NE2 GLN C 9 -12.385 -0.203 -0.404 1.00 0.00 N ATOM 0 HA GLN C 9 -9.107 -3.654 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -11.792 -2.787 0.941 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.302 -2.785 1.865 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -9.449 -0.962 0.771 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.179 -1.395 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -12.328 -0.795 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -13.150 0.465 -0.306 1.00 0.00 H new ATOM 142 N MET C 10 -10.694 -6.184 -0.048 1.00 0.00 N ATOM 143 CA MET C 10 -10.802 -7.539 0.480 1.00 0.00 C ATOM 144 C MET C 10 -9.468 -8.270 0.322 1.00 0.00 C ATOM 145 O MET C 10 -8.417 -7.642 0.392 1.00 0.00 O ATOM 146 CB MET C 10 -11.927 -8.294 -0.238 1.00 0.00 C ATOM 147 CG MET C 10 -13.320 -7.836 0.164 1.00 0.00 C ATOM 148 SD MET C 10 -13.724 -8.280 1.864 1.00 0.00 S ATOM 149 CE MET C 10 -15.392 -7.639 1.996 1.00 0.00 C ATOM 0 H MET C 10 -10.951 -6.097 -1.031 1.00 0.00 H new ATOM 0 HA MET C 10 -11.044 -7.492 1.542 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.809 -8.168 -1.314 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.829 -9.359 -0.029 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.392 -6.755 0.047 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.054 -8.279 -0.509 1.00 0.00 H new ATOM 0 HE1 MET C 10 -15.780 -7.838 2.995 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.384 -6.564 1.817 1.00 0.00 H new ATOM 0 HE3 MET C 10 -16.028 -8.125 1.256 1.00 0.00 H new ATOM 159 N ASN C 11 -9.509 -9.585 0.090 1.00 0.00 N ATOM 160 CA ASN C 11 -8.289 -10.397 -0.036 1.00 0.00 C ATOM 161 C ASN C 11 -7.341 -9.828 -1.084 1.00 0.00 C ATOM 162 O ASN C 11 -6.149 -10.119 -1.064 1.00 0.00 O ATOM 163 CB ASN C 11 -8.632 -11.849 -0.386 1.00 0.00 C ATOM 164 CG ASN C 11 -9.431 -12.544 0.701 1.00 0.00 C ATOM 165 OD1 ASN C 11 -8.868 -13.118 1.633 1.00 0.00 O ATOM 166 ND2 ASN C 11 -10.749 -12.513 0.582 1.00 0.00 N ATOM 0 H ASN C 11 -10.375 -10.114 -0.015 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.787 -10.371 0.931 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.199 -11.869 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.710 -12.403 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -11.335 -12.975 1.277 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -11.179 -12.027 -0.205 1.00 0.00 H new ATOM 173 N SER C 12 -7.874 -9.011 -1.981 1.00 0.00 N ATOM 174 CA SER C 12 -7.070 -8.307 -2.966 1.00 0.00 C ATOM 175 C SER C 12 -5.916 -7.563 -2.292 1.00 0.00 C ATOM 176 O SER C 12 -4.770 -7.639 -2.739 1.00 0.00 O ATOM 177 CB SER C 12 -7.958 -7.317 -3.711 1.00 0.00 C ATOM 178 OG SER C 12 -9.264 -7.847 -3.869 1.00 0.00 O ATOM 0 H SER C 12 -8.874 -8.819 -2.045 1.00 0.00 H new ATOM 0 HA SER C 12 -6.647 -9.029 -3.664 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.004 -6.376 -3.163 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.528 -7.096 -4.688 1.00 0.00 H new ATOM 0 HG SER C 12 -9.824 -7.200 -4.347 1.00 0.00 H new ATOM 184 N ILE C 13 -6.221 -6.875 -1.194 1.00 0.00 N ATOM 185 CA ILE C 13 -5.224 -6.085 -0.484 1.00 0.00 C ATOM 186 C ILE C 13 -4.364 -6.981 0.409 1.00 0.00 C ATOM 187 O ILE C 13 -3.189 -6.704 0.632 1.00 0.00 O ATOM 188 CB ILE C 13 -5.883 -4.963 0.362 1.00 0.00 C ATOM 189 CG1 ILE C 13 -4.833 -3.978 0.874 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.668 -5.541 1.531 1.00 0.00 C ATOM 191 CD1 ILE C 13 -5.420 -2.854 1.702 1.00 0.00 C ATOM 0 H ILE C 13 -7.152 -6.850 -0.778 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.587 -5.613 -1.232 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.577 -4.430 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.100 -4.518 1.474 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -4.298 -3.553 0.024 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.117 -4.730 2.104 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.453 -6.197 1.154 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -5.997 -6.111 2.174 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -4.621 -2.191 2.034 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -6.132 -2.291 1.098 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.931 -3.270 2.570 1.00 0.00 H new ATOM 203 N ASN C 14 -4.945 -8.071 0.897 1.00 0.00 N ATOM 204 CA ASN C 14 -4.223 -8.995 1.767 1.00 0.00 C ATOM 205 C ASN C 14 -3.194 -9.776 0.970 1.00 0.00 C ATOM 206 O ASN C 14 -2.084 -10.014 1.435 1.00 0.00 O ATOM 207 CB ASN C 14 -5.170 -9.974 2.440 1.00 0.00 C ATOM 208 CG ASN C 14 -6.260 -9.289 3.243 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.347 -9.027 2.736 1.00 0.00 O ATOM 210 ND2 ASN C 14 -5.974 -8.994 4.500 1.00 0.00 N ATOM 0 H ASN C 14 -5.911 -8.337 0.706 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.726 -8.400 2.533 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.629 -10.607 1.681 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.599 -10.629 3.098 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.669 -8.532 5.086 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -5.058 -9.229 4.883 1.00 0.00 H new ATOM 217 N SER C 15 -3.574 -10.183 -0.232 1.00 0.00 N ATOM 218 CA SER C 15 -2.640 -10.825 -1.145 1.00 0.00 C ATOM 219 C SER C 15 -1.470 -9.890 -1.439 1.00 0.00 C ATOM 220 O SER C 15 -0.337 -10.334 -1.628 1.00 0.00 O ATOM 221 CB SER C 15 -3.349 -11.226 -2.436 1.00 0.00 C ATOM 222 OG SER C 15 -4.419 -12.115 -2.160 1.00 0.00 O ATOM 0 H SER C 15 -4.521 -10.080 -0.597 1.00 0.00 H new ATOM 0 HA SER C 15 -2.252 -11.729 -0.675 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.728 -10.337 -2.941 1.00 0.00 H new ATOM 0 HB3 SER C 15 -2.640 -11.700 -3.115 1.00 0.00 H new ATOM 0 HG SER C 15 -5.155 -11.621 -1.741 1.00 0.00 H new ATOM 228 N VAL C 16 -1.752 -8.591 -1.454 1.00 0.00 N ATOM 229 CA VAL C 16 -0.707 -7.587 -1.572 1.00 0.00 C ATOM 230 C VAL C 16 0.105 -7.530 -0.281 1.00 0.00 C ATOM 231 O VAL C 16 1.322 -7.353 -0.316 1.00 0.00 O ATOM 232 CB VAL C 16 -1.287 -6.188 -1.886 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.189 -5.136 -1.923 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.035 -6.206 -3.207 1.00 0.00 C ATOM 0 H VAL C 16 -2.696 -8.212 -1.386 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.063 -7.875 -2.403 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.984 -5.929 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.625 -4.162 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.310 -5.097 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.536 -5.394 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.436 -5.213 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.353 -6.494 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.853 -6.924 -3.152 1.00 0.00 H new ATOM 244 N ASN C 17 -0.566 -7.723 0.857 1.00 0.00 N ATOM 245 CA ASN C 17 0.114 -7.701 2.152 1.00 0.00 C ATOM 246 C ASN C 17 1.191 -8.776 2.204 1.00 0.00 C ATOM 247 O ASN C 17 2.332 -8.508 2.580 1.00 0.00 O ATOM 248 CB ASN C 17 -0.877 -7.908 3.303 1.00 0.00 C ATOM 249 CG ASN C 17 -1.442 -6.612 3.855 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.903 -6.043 4.801 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.527 -6.128 3.272 1.00 0.00 N ATOM 0 H ASN C 17 -1.570 -7.895 0.908 1.00 0.00 H new ATOM 0 HA ASN C 17 0.577 -6.721 2.267 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.699 -8.535 2.956 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.380 -8.450 4.107 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.940 -5.257 3.606 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.950 -6.625 2.488 1.00 0.00 H new ATOM 258 N ASP C 18 0.828 -9.984 1.796 1.00 0.00 N ATOM 259 CA ASP C 18 1.757 -11.113 1.797 1.00 0.00 C ATOM 260 C ASP C 18 2.861 -10.937 0.758 1.00 0.00 C ATOM 261 O ASP C 18 3.928 -11.541 0.862 1.00 0.00 O ATOM 262 CB ASP C 18 1.010 -12.424 1.535 1.00 0.00 C ATOM 263 CG ASP C 18 0.135 -12.842 2.698 1.00 0.00 C ATOM 264 OD1 ASP C 18 0.663 -13.434 3.665 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.087 -12.600 2.645 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.107 -10.211 1.458 1.00 0.00 H new ATOM 0 HA ASP C 18 2.220 -11.149 2.783 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.393 -12.314 0.643 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.732 -13.213 1.327 1.00 0.00 H new ATOM 270 N LYS C 19 2.608 -10.100 -0.235 1.00 0.00 N ATOM 271 CA LYS C 19 3.567 -9.876 -1.309 1.00 0.00 C ATOM 272 C LYS C 19 4.566 -8.810 -0.895 1.00 0.00 C ATOM 273 O LYS C 19 5.752 -8.884 -1.220 1.00 0.00 O ATOM 274 CB LYS C 19 2.832 -9.462 -2.587 1.00 0.00 C ATOM 275 CG LYS C 19 3.747 -9.171 -3.765 1.00 0.00 C ATOM 276 CD LYS C 19 2.948 -8.784 -4.998 1.00 0.00 C ATOM 277 CE LYS C 19 3.857 -8.429 -6.162 1.00 0.00 C ATOM 278 NZ LYS C 19 3.083 -8.070 -7.376 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.745 -9.563 -0.321 1.00 0.00 H new ATOM 0 HA LYS C 19 4.109 -10.801 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.139 -10.255 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.234 -8.575 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS C 19 4.433 -8.365 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.354 -10.049 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.295 -9.609 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS C 19 2.305 -7.935 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.499 -7.594 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS C 19 4.510 -9.273 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 3.738 -7.834 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 2.489 -8.875 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 2.478 -7.249 -7.172 1.00 0.00 H new ATOM 292 N LEU C 20 4.077 -7.829 -0.165 1.00 0.00 N ATOM 293 CA LEU C 20 4.917 -6.771 0.353 1.00 0.00 C ATOM 294 C LEU C 20 5.725 -7.273 1.537 1.00 0.00 C ATOM 295 O LEU C 20 6.850 -6.835 1.761 1.00 0.00 O ATOM 296 CB LEU C 20 4.055 -5.581 0.751 1.00 0.00 C ATOM 297 CG LEU C 20 3.262 -4.954 -0.398 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.544 -3.706 0.072 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.175 -4.632 -1.571 1.00 0.00 C ATOM 0 H LEU C 20 3.092 -7.743 0.084 1.00 0.00 H new ATOM 0 HA LEU C 20 5.615 -6.453 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.357 -5.898 1.526 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.695 -4.817 1.192 1.00 0.00 H new ATOM 0 HG LEU C 20 2.518 -5.677 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.985 -3.273 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.856 -3.963 0.877 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.273 -2.982 0.435 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.590 -4.187 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.945 -3.930 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.646 -5.548 -1.928 1.00 0.00 H new ATOM 311 N ASN C 21 5.146 -8.200 2.290 1.00 0.00 N ATOM 312 CA ASN C 21 5.868 -8.873 3.364 1.00 0.00 C ATOM 313 C ASN C 21 6.785 -9.940 2.776 1.00 0.00 C ATOM 314 O ASN C 21 6.542 -11.138 2.904 1.00 0.00 O ATOM 315 CB ASN C 21 4.895 -9.493 4.376 1.00 0.00 C ATOM 316 CG ASN C 21 4.368 -8.483 5.382 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.952 -8.290 6.449 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.263 -7.832 5.053 1.00 0.00 N ATOM 0 H ASN C 21 4.179 -8.503 2.177 1.00 0.00 H new ATOM 0 HA ASN C 21 6.473 -8.137 3.894 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.056 -9.937 3.841 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.397 -10.301 4.908 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.867 -7.143 5.693 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.808 -8.019 4.160 1.00 0.00 H new ATOM 325 N LYS C 22 7.841 -9.477 2.127 1.00 0.00 N ATOM 326 CA LYS C 22 8.758 -10.338 1.385 1.00 0.00 C ATOM 327 C LYS C 22 9.971 -10.736 2.221 1.00 0.00 C ATOM 328 O LYS C 22 10.932 -11.300 1.702 1.00 0.00 O ATOM 329 CB LYS C 22 9.221 -9.608 0.119 1.00 0.00 C ATOM 330 CG LYS C 22 9.443 -8.119 0.341 1.00 0.00 C ATOM 331 CD LYS C 22 10.129 -7.447 -0.841 1.00 0.00 C ATOM 332 CE LYS C 22 10.319 -5.952 -0.597 1.00 0.00 C ATOM 333 NZ LYS C 22 9.020 -5.240 -0.461 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.091 -8.488 2.098 1.00 0.00 H new ATOM 0 HA LYS C 22 8.225 -11.252 1.124 1.00 0.00 H new ATOM 0 HB2 LYS C 22 10.148 -10.059 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.478 -9.746 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.483 -7.635 0.522 1.00 0.00 H new ATOM 0 HG3 LYS C 22 10.047 -7.975 1.237 1.00 0.00 H new ATOM 0 HD2 LYS C 22 11.098 -7.915 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS C 22 9.535 -7.598 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.910 -5.804 0.307 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.885 -5.519 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.972 -4.469 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.240 -5.907 -0.629 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.939 -4.846 0.498 1.00 0.00 H new ATOM 347 N GLY C 23 9.931 -10.443 3.510 1.00 0.00 N ATOM 348 CA GLY C 23 11.096 -10.652 4.349 1.00 0.00 C ATOM 349 C GLY C 23 11.922 -9.393 4.428 1.00 0.00 C ATOM 350 O GLY C 23 12.319 -8.957 5.510 1.00 0.00 O ATOM 0 H GLY C 23 9.116 -10.065 3.992 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.782 -10.952 5.349 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.700 -11.466 3.947 1.00 0.00 H new ATOM 354 N LYS C 24 12.175 -8.810 3.264 1.00 0.00 N ATOM 355 CA LYS C 24 12.732 -7.470 3.170 1.00 0.00 C ATOM 356 C LYS C 24 11.659 -6.466 3.571 1.00 0.00 C ATOM 357 O LYS C 24 10.697 -6.833 4.248 1.00 0.00 O ATOM 358 CB LYS C 24 13.215 -7.199 1.740 1.00 0.00 C ATOM 359 CG LYS C 24 14.412 -8.049 1.338 1.00 0.00 C ATOM 360 CD LYS C 24 15.721 -7.481 1.874 1.00 0.00 C ATOM 361 CE LYS C 24 16.860 -8.476 1.724 1.00 0.00 C ATOM 362 NZ LYS C 24 18.134 -7.956 2.289 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.000 -9.252 2.362 1.00 0.00 H new ATOM 0 HA LYS C 24 13.587 -7.375 3.839 1.00 0.00 H new ATOM 0 HB2 LYS C 24 12.396 -7.386 1.046 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.478 -6.145 1.646 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.277 -9.064 1.711 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.463 -8.113 0.251 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.966 -6.562 1.341 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.602 -7.218 2.925 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.595 -9.408 2.224 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.000 -8.710 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.884 -8.666 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.401 -7.081 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.009 -7.757 3.302 1.00 0.00 H new ATOM 376 N GLY C 25 11.827 -5.217 3.166 1.00 0.00 N ATOM 377 CA GLY C 25 10.849 -4.191 3.474 1.00 0.00 C ATOM 378 C GLY C 25 9.432 -4.644 3.268 1.00 0.00 C ATOM 379 O GLY C 25 9.094 -5.242 2.248 1.00 0.00 O ATOM 0 H GLY C 25 12.629 -4.892 2.625 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.976 -3.876 4.510 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.039 -3.318 2.850 1.00 0.00 H new ATOM 383 N LYS C 26 8.607 -4.355 4.240 1.00 0.00 N ATOM 384 CA LYS C 26 7.261 -4.872 4.265 1.00 0.00 C ATOM 385 C LYS C 26 6.269 -3.764 4.543 1.00 0.00 C ATOM 386 O LYS C 26 6.494 -2.921 5.411 1.00 0.00 O ATOM 387 CB LYS C 26 7.184 -5.965 5.321 1.00 0.00 C ATOM 388 CG LYS C 26 7.885 -5.579 6.609 1.00 0.00 C ATOM 389 CD LYS C 26 8.468 -6.793 7.305 1.00 0.00 C ATOM 390 CE LYS C 26 9.975 -6.856 7.111 1.00 0.00 C ATOM 391 NZ LYS C 26 10.552 -8.109 7.663 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.845 -3.759 5.032 1.00 0.00 H new ATOM 0 HA LYS C 26 7.004 -5.293 3.293 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.138 -6.188 5.533 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.631 -6.878 4.927 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.680 -4.865 6.393 1.00 0.00 H new ATOM 0 HG3 LYS C 26 7.180 -5.080 7.274 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.235 -6.754 8.369 1.00 0.00 H new ATOM 0 HD3 LYS C 26 8.008 -7.699 6.911 1.00 0.00 H new ATOM 0 HE2 LYS C 26 10.208 -6.786 6.048 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.440 -5.998 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.058 -7.898 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.788 -8.788 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 11.214 -8.519 6.974 1.00 0.00 H new ATOM 405 N LEU C 27 5.190 -3.763 3.785 1.00 0.00 N ATOM 406 CA LEU C 27 4.178 -2.732 3.893 1.00 0.00 C ATOM 407 C LEU C 27 2.833 -3.392 4.187 1.00 0.00 C ATOM 408 O LEU C 27 2.178 -3.916 3.287 1.00 0.00 O ATOM 409 CB LEU C 27 4.134 -1.938 2.577 1.00 0.00 C ATOM 410 CG LEU C 27 3.738 -0.465 2.684 1.00 0.00 C ATOM 411 CD1 LEU C 27 4.139 0.282 1.421 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.247 -0.330 2.907 1.00 0.00 C ATOM 0 H LEU C 27 4.991 -4.473 3.080 1.00 0.00 H new ATOM 0 HA LEU C 27 4.410 -2.042 4.704 1.00 0.00 H new ATOM 0 HB2 LEU C 27 5.118 -1.994 2.111 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.434 -2.432 1.903 1.00 0.00 H new ATOM 0 HG LEU C 27 4.261 -0.031 3.536 1.00 0.00 H new ATOM 0 HD11 LEU C 27 3.851 1.329 1.511 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.218 0.213 1.284 1.00 0.00 H new ATOM 0 HD13 LEU C 27 3.635 -0.160 0.561 1.00 0.00 H new ATOM 0 HD21 LEU C 27 1.984 0.725 2.981 1.00 0.00 H new ATOM 0 HD22 LEU C 27 1.712 -0.780 2.071 1.00 0.00 H new ATOM 0 HD23 LEU C 27 1.970 -0.838 3.831 1.00 0.00 H new ATOM 424 N SER C 28 2.445 -3.394 5.450 1.00 0.00 N ATOM 425 CA SER C 28 1.196 -4.012 5.864 1.00 0.00 C ATOM 426 C SER C 28 0.049 -3.012 5.751 1.00 0.00 C ATOM 427 O SER C 28 -0.129 -2.155 6.619 1.00 0.00 O ATOM 428 CB SER C 28 1.323 -4.532 7.296 1.00 0.00 C ATOM 429 OG SER C 28 2.356 -5.503 7.398 1.00 0.00 O ATOM 0 H SER C 28 2.979 -2.973 6.210 1.00 0.00 H new ATOM 0 HA SER C 28 0.979 -4.854 5.207 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.532 -3.702 7.970 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.376 -4.969 7.613 1.00 0.00 H new ATOM 0 HG SER C 28 2.418 -5.819 8.324 1.00 0.00 H new ATOM 435 N LEU C 29 -0.726 -3.139 4.684 1.00 0.00 N ATOM 436 CA LEU C 29 -1.745 -2.154 4.342 1.00 0.00 C ATOM 437 C LEU C 29 -3.101 -2.555 4.879 1.00 0.00 C ATOM 438 O LEU C 29 -3.555 -3.683 4.673 1.00 0.00 O ATOM 439 CB LEU C 29 -1.842 -1.986 2.820 1.00 0.00 C ATOM 440 CG LEU C 29 -0.627 -2.467 2.020 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.840 -3.893 1.530 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.355 -1.543 0.849 1.00 0.00 C ATOM 0 H LEU C 29 -0.668 -3.922 4.033 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.449 -1.210 4.799 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.722 -2.525 2.469 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.005 -0.931 2.599 1.00 0.00 H new ATOM 0 HG LEU C 29 0.241 -2.452 2.679 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.033 -4.217 0.964 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.984 -4.554 2.385 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.722 -3.930 0.890 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.512 -1.903 0.295 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.224 -1.524 0.191 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.157 -0.537 1.218 1.00 0.00 H new ATOM 454 N SER C 30 -3.744 -1.628 5.570 1.00 0.00 N ATOM 455 CA SER C 30 -5.107 -1.834 5.998 1.00 0.00 C ATOM 456 C SER C 30 -5.987 -0.677 5.527 1.00 0.00 C ATOM 457 O SER C 30 -5.677 0.487 5.787 1.00 0.00 O ATOM 458 CB SER C 30 -5.170 -1.966 7.519 1.00 0.00 C ATOM 459 OG SER C 30 -4.322 -3.006 7.974 1.00 0.00 O ATOM 0 H SER C 30 -3.342 -0.731 5.843 1.00 0.00 H new ATOM 0 HA SER C 30 -5.479 -2.758 5.554 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.876 -1.024 7.982 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.196 -2.167 7.828 1.00 0.00 H new ATOM 0 HG SER C 30 -4.378 -3.070 8.950 1.00 0.00 H new ATOM 465 N MET C 31 -7.084 -1.000 4.848 1.00 0.00 N ATOM 466 CA MET C 31 -7.973 0.017 4.289 1.00 0.00 C ATOM 467 C MET C 31 -9.432 -0.390 4.448 1.00 0.00 C ATOM 468 O MET C 31 -9.870 -1.375 3.854 1.00 0.00 O ATOM 469 CB MET C 31 -7.672 0.222 2.798 1.00 0.00 C ATOM 470 CG MET C 31 -6.319 0.848 2.512 1.00 0.00 C ATOM 471 SD MET C 31 -5.761 0.564 0.820 1.00 0.00 S ATOM 472 CE MET C 31 -7.210 1.032 -0.123 1.00 0.00 C ATOM 0 H MET C 31 -7.380 -1.960 4.671 1.00 0.00 H new ATOM 0 HA MET C 31 -7.801 0.946 4.832 1.00 0.00 H new ATOM 0 HB2 MET C 31 -7.727 -0.742 2.293 1.00 0.00 H new ATOM 0 HB3 MET C 31 -8.449 0.853 2.366 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.374 1.921 2.696 1.00 0.00 H new ATOM 0 HG3 MET C 31 -5.582 0.443 3.206 1.00 0.00 H new ATOM 0 HE1 MET C 31 -6.901 1.533 -1.041 1.00 0.00 H new ATOM 0 HE2 MET C 31 -7.785 0.140 -0.372 1.00 0.00 H new ATOM 0 HE3 MET C 31 -7.827 1.708 0.469 1.00 0.00 H new ATOM 482 N ASN C 32 -10.173 0.360 5.259 1.00 0.00 N ATOM 483 CA ASN C 32 -11.612 0.139 5.417 1.00 0.00 C ATOM 484 C ASN C 32 -12.325 1.449 5.718 1.00 0.00 C ATOM 485 O ASN C 32 -12.145 2.033 6.790 1.00 0.00 O ATOM 486 CB ASN C 32 -11.926 -0.868 6.532 1.00 0.00 C ATOM 487 CG ASN C 32 -11.508 -2.286 6.194 1.00 0.00 C ATOM 488 OD1 ASN C 32 -12.245 -3.027 5.539 1.00 0.00 O ATOM 489 ND2 ASN C 32 -10.337 -2.686 6.663 1.00 0.00 N ATOM 0 H ASN C 32 -9.802 1.128 5.819 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.970 -0.272 4.473 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -11.422 -0.556 7.447 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -12.996 -0.851 6.737 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -10.015 -3.638 6.487 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -9.756 -2.043 7.201 1.00 0.00 H new ATOM 496 N GLY C 33 -13.124 1.912 4.770 1.00 0.00 N ATOM 497 CA GLY C 33 -13.908 3.115 4.971 1.00 0.00 C ATOM 498 C GLY C 33 -13.056 4.372 5.025 1.00 0.00 C ATOM 499 O GLY C 33 -12.679 4.910 3.984 1.00 0.00 O ATOM 0 H GLY C 33 -13.245 1.473 3.857 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.634 3.209 4.164 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.473 3.024 5.899 1.00 0.00 H new ATOM 503 N ASN C 34 -12.753 4.845 6.233 1.00 0.00 N ATOM 504 CA ASN C 34 -11.961 6.057 6.402 1.00 0.00 C ATOM 505 C ASN C 34 -10.695 5.755 7.210 1.00 0.00 C ATOM 506 O ASN C 34 -10.190 6.604 7.938 1.00 0.00 O ATOM 507 CB ASN C 34 -12.785 7.144 7.103 1.00 0.00 C ATOM 508 CG ASN C 34 -12.294 8.561 6.821 1.00 0.00 C ATOM 509 OD1 ASN C 34 -11.013 8.721 6.517 1.00 0.00 O flip ATOM 510 ND2 ASN C 34 -13.072 9.514 6.870 1.00 0.00 N flip ATOM 0 H ASN C 34 -13.045 4.406 7.106 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.672 6.420 5.416 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.825 7.060 6.788 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.763 6.968 8.178 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -14.052 9.360 7.107 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -12.736 10.457 6.674 1.00 0.00 H new ATOM 517 N GLN C 35 -10.188 4.542 7.095 1.00 0.00 N ATOM 518 CA GLN C 35 -8.998 4.164 7.845 1.00 0.00 C ATOM 519 C GLN C 35 -7.884 3.686 6.921 1.00 0.00 C ATOM 520 O GLN C 35 -8.071 2.780 6.103 1.00 0.00 O ATOM 521 CB GLN C 35 -9.314 3.076 8.879 1.00 0.00 C ATOM 522 CG GLN C 35 -9.462 1.682 8.289 1.00 0.00 C ATOM 523 CD GLN C 35 -9.679 0.612 9.344 1.00 0.00 C ATOM 524 OE1 GLN C 35 -10.312 -0.408 9.085 1.00 0.00 O ATOM 525 NE2 GLN C 35 -9.157 0.833 10.541 1.00 0.00 N ATOM 0 H GLN C 35 -10.572 3.809 6.499 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.656 5.057 8.368 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.521 3.060 9.627 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -10.236 3.339 9.397 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -10.302 1.675 7.594 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -8.569 1.441 7.713 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -8.637 1.692 10.720 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -9.275 0.144 11.284 1.00 0.00 H new ATOM 534 N LEU C 36 -6.742 4.329 7.019 1.00 0.00 N ATOM 535 CA LEU C 36 -5.549 3.845 6.361 1.00 0.00 C ATOM 536 C LEU C 36 -4.393 3.855 7.337 1.00 0.00 C ATOM 537 O LEU C 36 -3.961 4.910 7.792 1.00 0.00 O ATOM 538 CB LEU C 36 -5.229 4.677 5.120 1.00 0.00 C ATOM 539 CG LEU C 36 -4.075 4.179 4.239 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.927 2.667 4.308 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.310 4.601 2.800 1.00 0.00 C ATOM 0 H LEU C 36 -6.614 5.191 7.550 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.720 2.821 6.028 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.128 4.732 4.506 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.999 5.693 5.441 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.154 4.625 4.613 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -3.100 2.353 3.671 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -3.727 2.368 5.337 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -4.848 2.195 3.966 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -3.489 4.246 2.178 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.247 4.173 2.444 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -4.364 5.688 2.744 1.00 0.00 H new ATOM 553 N LYS C 37 -3.940 2.672 7.686 1.00 0.00 N ATOM 554 CA LYS C 37 -2.761 2.511 8.509 1.00 0.00 C ATOM 555 C LYS C 37 -1.921 1.382 7.933 1.00 0.00 C ATOM 556 O LYS C 37 -2.254 0.203 8.050 1.00 0.00 O ATOM 557 CB LYS C 37 -3.160 2.206 9.958 1.00 0.00 C ATOM 558 CG LYS C 37 -4.168 1.074 10.090 1.00 0.00 C ATOM 559 CD LYS C 37 -4.469 0.760 11.542 1.00 0.00 C ATOM 560 CE LYS C 37 -5.459 -0.385 11.668 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.800 -0.673 13.084 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.378 1.794 7.408 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.180 3.433 8.512 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.265 1.952 10.526 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.578 3.107 10.408 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.091 1.346 9.577 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.781 0.182 9.597 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.545 0.502 12.059 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -4.872 1.647 12.032 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.368 -0.140 11.119 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.039 -1.279 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.478 -1.461 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.937 -0.932 13.603 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.224 0.172 13.518 1.00 0.00 H new ATOM 575 N ALA C 38 -0.858 1.760 7.265 1.00 0.00 N ATOM 576 CA ALA C 38 0.106 0.816 6.769 1.00 0.00 C ATOM 577 C ALA C 38 1.331 0.814 7.664 1.00 0.00 C ATOM 578 O ALA C 38 1.868 1.871 7.995 1.00 0.00 O ATOM 579 CB ALA C 38 0.481 1.168 5.344 1.00 0.00 C ATOM 0 H ALA C 38 -0.639 2.733 7.051 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.327 -0.184 6.775 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.212 0.450 4.972 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.409 1.138 4.716 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.910 2.169 5.318 1.00 0.00 H new ATOM 585 N THR C 39 1.748 -0.367 8.079 1.00 0.00 N ATOM 586 CA THR C 39 2.918 -0.500 8.922 1.00 0.00 C ATOM 587 C THR C 39 4.086 -1.038 8.112 1.00 0.00 C ATOM 588 O THR C 39 3.894 -1.813 7.173 1.00 0.00 O ATOM 589 CB THR C 39 2.645 -1.425 10.122 1.00 0.00 C ATOM 590 OG1 THR C 39 2.278 -2.728 9.658 1.00 0.00 O ATOM 591 CG2 THR C 39 1.531 -0.863 10.994 1.00 0.00 C ATOM 0 H THR C 39 1.292 -1.249 7.845 1.00 0.00 H new ATOM 0 HA THR C 39 3.166 0.489 9.307 1.00 0.00 H new ATOM 0 HB THR C 39 3.555 -1.492 10.718 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.107 -3.313 10.426 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.355 -1.533 11.836 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.821 0.120 11.366 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.618 -0.773 10.405 1.00 0.00 H new ATOM 599 N SER C 40 5.287 -0.625 8.470 1.00 0.00 N ATOM 600 CA SER C 40 6.474 -1.028 7.743 1.00 0.00 C ATOM 601 C SER C 40 7.518 -1.583 8.686 1.00 0.00 C ATOM 602 O SER C 40 7.501 -1.296 9.882 1.00 0.00 O ATOM 603 CB SER C 40 7.036 0.164 6.984 1.00 0.00 C ATOM 604 OG SER C 40 7.155 1.288 7.838 1.00 0.00 O ATOM 0 H SER C 40 5.466 -0.009 9.263 1.00 0.00 H new ATOM 0 HA SER C 40 6.202 -1.812 7.036 1.00 0.00 H new ATOM 0 HB2 SER C 40 8.012 -0.089 6.569 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.386 0.406 6.144 1.00 0.00 H new ATOM 0 HG SER C 40 8.097 1.423 8.071 1.00 0.00 H new ATOM 610 N SER C 41 8.423 -2.382 8.151 1.00 0.00 N ATOM 611 CA SER C 41 9.484 -2.941 8.951 1.00 0.00 C ATOM 612 C SER C 41 10.724 -3.207 8.091 1.00 0.00 C ATOM 613 O SER C 41 10.740 -2.872 6.900 1.00 0.00 O ATOM 614 CB SER C 41 9.000 -4.222 9.642 1.00 0.00 C ATOM 615 OG SER C 41 9.941 -4.699 10.591 1.00 0.00 O ATOM 0 H SER C 41 8.440 -2.655 7.168 1.00 0.00 H new ATOM 0 HA SER C 41 9.764 -2.222 9.721 1.00 0.00 H new ATOM 0 HB2 SER C 41 8.049 -4.029 10.139 1.00 0.00 H new ATOM 0 HB3 SER C 41 8.818 -4.992 8.893 1.00 0.00 H new ATOM 0 HG SER C 41 10.316 -3.943 11.088 1.00 0.00 H new ATOM 621 N ASN C 42 11.728 -3.835 8.716 1.00 0.00 N ATOM 622 CA ASN C 42 13.053 -4.102 8.128 1.00 0.00 C ATOM 623 C ASN C 42 13.963 -2.882 8.213 1.00 0.00 C ATOM 624 O ASN C 42 14.982 -2.805 7.523 1.00 0.00 O ATOM 625 CB ASN C 42 12.977 -4.615 6.684 1.00 0.00 C ATOM 626 CG ASN C 42 13.844 -5.847 6.459 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.432 -6.024 5.392 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.919 -6.719 7.456 1.00 0.00 N ATOM 0 H ASN C 42 11.642 -4.182 9.671 1.00 0.00 H new ATOM 0 HA ASN C 42 13.487 -4.901 8.729 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.942 -4.853 6.440 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.291 -3.824 6.003 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.477 -7.567 7.351 1.00 0.00 H new ATOM 0 HD22 ASN C 42 13.419 -6.542 8.327 1.00 0.00 H new ATOM 635 N ALA C 43 13.583 -1.938 9.070 1.00 0.00 N ATOM 636 CA ALA C 43 14.460 -0.844 9.502 1.00 0.00 C ATOM 637 C ALA C 43 15.148 -0.108 8.351 1.00 0.00 C ATOM 638 O ALA C 43 16.369 0.056 8.354 1.00 0.00 O ATOM 639 CB ALA C 43 15.499 -1.375 10.476 1.00 0.00 C ATOM 0 H ALA C 43 12.653 -1.907 9.489 1.00 0.00 H new ATOM 0 HA ALA C 43 13.819 -0.109 9.988 1.00 0.00 H new ATOM 0 HB1 ALA C 43 16.149 -0.560 10.795 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.998 -1.801 11.345 1.00 0.00 H new ATOM 0 HB3 ALA C 43 16.096 -2.145 9.987 1.00 0.00 H new ATOM 645 N GLY C 44 14.381 0.322 7.365 1.00 0.00 N ATOM 646 CA GLY C 44 14.946 1.134 6.305 1.00 0.00 C ATOM 647 C GLY C 44 15.177 0.359 5.031 1.00 0.00 C ATOM 648 O GLY C 44 15.295 0.950 3.955 1.00 0.00 O ATOM 0 H GLY C 44 13.384 0.127 7.277 1.00 0.00 H new ATOM 0 HA2 GLY C 44 14.278 1.970 6.099 1.00 0.00 H new ATOM 0 HA3 GLY C 44 15.892 1.557 6.643 1.00 0.00 H new ATOM 652 N TYR C 45 15.265 -0.956 5.143 1.00 0.00 N ATOM 653 CA TYR C 45 15.391 -1.801 3.970 1.00 0.00 C ATOM 654 C TYR C 45 14.083 -1.808 3.201 1.00 0.00 C ATOM 655 O TYR C 45 13.069 -2.296 3.687 1.00 0.00 O ATOM 656 CB TYR C 45 15.787 -3.226 4.363 1.00 0.00 C ATOM 657 CG TYR C 45 17.275 -3.405 4.578 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.875 -3.041 5.779 1.00 0.00 C ATOM 659 CD2 TYR C 45 18.084 -3.939 3.579 1.00 0.00 C ATOM 660 CE1 TYR C 45 19.233 -3.202 5.976 1.00 0.00 C ATOM 661 CE2 TYR C 45 19.442 -4.103 3.771 1.00 0.00 C ATOM 662 CZ TYR C 45 20.010 -3.734 4.970 1.00 0.00 C ATOM 663 OH TYR C 45 21.366 -3.891 5.161 1.00 0.00 O ATOM 0 H TYR C 45 15.252 -1.459 6.030 1.00 0.00 H new ATOM 0 HA TYR C 45 16.178 -1.398 3.333 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.261 -3.501 5.277 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.456 -3.914 3.585 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.269 -2.626 6.571 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.642 -4.230 2.637 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.683 -2.912 6.914 1.00 0.00 H new ATOM 0 HE2 TYR C 45 20.055 -4.518 2.985 1.00 0.00 H new ATOM 0 HH TYR C 45 21.767 -4.280 4.356 1.00 0.00 H new ATOM 673 N GLY C 46 14.117 -1.226 2.014 1.00 0.00 N ATOM 674 CA GLY C 46 12.940 -1.153 1.181 1.00 0.00 C ATOM 675 C GLY C 46 12.674 -2.460 0.464 1.00 0.00 C ATOM 676 O GLY C 46 11.796 -3.230 0.842 1.00 0.00 O ATOM 0 H GLY C 46 14.950 -0.798 1.610 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.077 -0.893 1.794 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.063 -0.355 0.448 1.00 0.00 H new ATOM 680 N ILE C 47 13.423 -2.691 -0.595 1.00 0.00 N ATOM 681 CA ILE C 47 13.380 -3.957 -1.304 1.00 0.00 C ATOM 682 C ILE C 47 14.684 -4.673 -1.108 1.00 0.00 C ATOM 683 O ILE C 47 14.764 -5.697 -0.448 1.00 0.00 O ATOM 684 CB ILE C 47 13.220 -3.759 -2.812 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.025 -2.872 -3.105 1.00 0.00 C ATOM 686 CG2 ILE C 47 13.064 -5.104 -3.514 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.078 -2.223 -4.461 1.00 0.00 C ATOM 0 H ILE C 47 14.075 -2.012 -0.988 1.00 0.00 H new ATOM 0 HA ILE C 47 12.531 -4.517 -0.912 1.00 0.00 H new ATOM 0 HB ILE C 47 14.118 -3.272 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.114 -3.466 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE C 47 11.962 -2.096 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.951 -4.944 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.947 -5.715 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE C 47 12.182 -5.615 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.192 -1.604 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE C 47 12.971 -1.602 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE C 47 12.109 -2.993 -5.232 1.00 0.00 H new ATOM 699 N SER C 48 15.703 -4.078 -1.686 1.00 0.00 N ATOM 700 CA SER C 48 17.028 -4.625 -1.679 1.00 0.00 C ATOM 701 C SER C 48 17.947 -3.689 -2.463 1.00 0.00 C ATOM 702 O SER C 48 18.682 -2.889 -1.881 1.00 0.00 O ATOM 703 CB SER C 48 17.024 -6.038 -2.279 1.00 0.00 C ATOM 704 OG SER C 48 16.432 -6.045 -3.571 1.00 0.00 O ATOM 0 H SER C 48 15.627 -3.188 -2.179 1.00 0.00 H new ATOM 0 HA SER C 48 17.395 -4.708 -0.656 1.00 0.00 H new ATOM 0 HB2 SER C 48 18.046 -6.412 -2.342 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.477 -6.714 -1.622 1.00 0.00 H new ATOM 0 HG SER C 48 16.444 -6.956 -3.931 1.00 0.00 H new ATOM 710 N TYR C 49 17.861 -3.768 -3.787 1.00 0.00 N ATOM 711 CA TYR C 49 18.577 -2.854 -4.672 1.00 0.00 C ATOM 712 C TYR C 49 17.725 -2.465 -5.886 1.00 0.00 C ATOM 713 O TYR C 49 17.816 -1.335 -6.368 1.00 0.00 O ATOM 714 CB TYR C 49 19.909 -3.462 -5.136 1.00 0.00 C ATOM 715 CG TYR C 49 20.917 -3.649 -4.010 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.425 -2.549 -3.320 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.360 -4.918 -3.629 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.334 -2.707 -2.291 1.00 0.00 C ATOM 719 CE2 TYR C 49 22.272 -5.075 -2.602 1.00 0.00 C ATOM 720 CZ TYR C 49 22.753 -3.970 -1.939 1.00 0.00 C ATOM 721 OH TYR C 49 23.657 -4.130 -0.910 1.00 0.00 O ATOM 0 H TYR C 49 17.296 -4.463 -4.275 1.00 0.00 H new ATOM 0 HA TYR C 49 18.787 -1.951 -4.099 1.00 0.00 H new ATOM 0 HB2 TYR C 49 19.715 -4.427 -5.603 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.346 -2.820 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.102 -1.556 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.984 -5.789 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.714 -1.843 -1.765 1.00 0.00 H new ATOM 0 HE2 TYR C 49 22.606 -6.063 -2.321 1.00 0.00 H new ATOM 0 HH TYR C 49 23.848 -5.083 -0.788 1.00 0.00 H new ATOM 731 N GLU C 50 16.877 -3.385 -6.352 1.00 0.00 N ATOM 732 CA GLU C 50 16.086 -3.177 -7.567 1.00 0.00 C ATOM 733 C GLU C 50 14.995 -2.128 -7.379 1.00 0.00 C ATOM 734 O GLU C 50 14.598 -1.817 -6.256 1.00 0.00 O ATOM 735 CB GLU C 50 15.463 -4.500 -8.021 1.00 0.00 C ATOM 736 CG GLU C 50 14.757 -5.258 -6.908 1.00 0.00 C ATOM 737 CD GLU C 50 14.140 -6.553 -7.390 1.00 0.00 C ATOM 738 OE1 GLU C 50 12.899 -6.630 -7.479 1.00 0.00 O ATOM 739 OE2 GLU C 50 14.894 -7.504 -7.685 1.00 0.00 O1- ATOM 0 H GLU C 50 16.720 -4.287 -5.903 1.00 0.00 H new ATOM 0 HA GLU C 50 16.766 -2.805 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.750 -4.300 -8.821 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.244 -5.134 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.469 -5.473 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.979 -4.626 -6.479 1.00 0.00 H new ATOM 746 N ASP C 51 14.513 -1.601 -8.501 1.00 0.00 N ATOM 747 CA ASP C 51 13.501 -0.552 -8.503 1.00 0.00 C ATOM 748 C ASP C 51 12.132 -1.131 -8.807 1.00 0.00 C ATOM 749 O ASP C 51 11.863 -1.545 -9.935 1.00 0.00 O ATOM 750 CB ASP C 51 13.807 0.521 -9.562 1.00 0.00 C ATOM 751 CG ASP C 51 15.166 1.173 -9.413 1.00 0.00 C ATOM 752 OD1 ASP C 51 15.258 2.228 -8.750 1.00 0.00 O ATOM 753 OD2 ASP C 51 16.147 0.652 -9.990 1.00 0.00 O1- ATOM 0 H ASP C 51 14.813 -1.889 -9.432 1.00 0.00 H new ATOM 0 HA ASP C 51 13.511 -0.101 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.741 0.068 -10.551 1.00 0.00 H new ATOM 0 HB3 ASP C 51 13.039 1.293 -9.513 1.00 0.00 H new ATOM 758 N LYS C 52 11.269 -1.170 -7.808 1.00 0.00 N ATOM 759 CA LYS C 52 9.894 -1.577 -8.035 1.00 0.00 C ATOM 760 C LYS C 52 9.005 -0.358 -8.084 1.00 0.00 C ATOM 761 O LYS C 52 9.179 0.577 -7.304 1.00 0.00 O ATOM 762 CB LYS C 52 9.391 -2.533 -6.960 1.00 0.00 C ATOM 763 CG LYS C 52 10.240 -3.779 -6.787 1.00 0.00 C ATOM 764 CD LYS C 52 10.725 -4.342 -8.116 1.00 0.00 C ATOM 765 CE LYS C 52 9.572 -4.821 -8.982 1.00 0.00 C ATOM 766 NZ LYS C 52 10.039 -5.339 -10.293 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.492 -0.928 -6.842 1.00 0.00 H new ATOM 0 HA LYS C 52 9.862 -2.106 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS C 52 9.348 -2.002 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.372 -2.833 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS C 52 11.100 -3.545 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.661 -4.540 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.288 -3.577 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.409 -5.170 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.025 -5.604 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS C 52 8.875 -3.999 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 9.221 -5.655 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.539 -4.585 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 10.684 -6.140 -10.140 1.00 0.00 H new ATOM 780 N ASN C 53 8.043 -0.388 -8.978 1.00 0.00 N ATOM 781 CA ASN C 53 7.200 0.771 -9.226 1.00 0.00 C ATOM 782 C ASN C 53 5.818 0.575 -8.641 1.00 0.00 C ATOM 783 O ASN C 53 5.014 -0.209 -9.140 1.00 0.00 O ATOM 784 CB ASN C 53 7.115 1.086 -10.724 1.00 0.00 C ATOM 785 CG ASN C 53 7.140 -0.159 -11.588 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.985 -0.754 -11.807 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.199 -0.587 -12.050 1.00 0.00 N flip ATOM 0 H ASN C 53 7.820 -1.203 -9.550 1.00 0.00 H new ATOM 0 HA ASN C 53 7.661 1.625 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.199 1.642 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.947 1.733 -11.002 1.00 0.00 H new ATOM 0 HD21 ASN C 53 9.074 -0.098 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.201 -1.430 -12.624 1.00 0.00 H new ATOM 794 N TRP C 54 5.559 1.310 -7.581 1.00 0.00 N ATOM 795 CA TRP C 54 4.346 1.174 -6.809 1.00 0.00 C ATOM 796 C TRP C 54 3.378 2.316 -7.069 1.00 0.00 C ATOM 797 O TRP C 54 3.768 3.332 -7.631 1.00 0.00 O ATOM 798 CB TRP C 54 4.720 1.191 -5.352 1.00 0.00 C ATOM 799 CG TRP C 54 4.251 -0.001 -4.628 1.00 0.00 C ATOM 800 CD1 TRP C 54 4.933 -1.145 -4.399 1.00 0.00 C ATOM 801 CD2 TRP C 54 2.979 -0.151 -4.048 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.144 -2.018 -3.686 1.00 0.00 N ATOM 803 CE2 TRP C 54 2.928 -1.419 -3.459 1.00 0.00 C ATOM 804 CE3 TRP C 54 1.880 0.685 -3.973 1.00 0.00 C ATOM 805 CZ2 TRP C 54 1.793 -1.869 -2.793 1.00 0.00 C ATOM 806 CZ3 TRP C 54 0.768 0.250 -3.325 1.00 0.00 C ATOM 807 CH2 TRP C 54 0.724 -1.022 -2.739 1.00 0.00 C ATOM 0 H TRP C 54 6.193 2.027 -7.228 1.00 0.00 H new ATOM 0 HA TRP C 54 3.856 0.243 -7.094 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.804 1.263 -5.261 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.301 2.082 -4.885 1.00 0.00 H new ATOM 0 HD1 TRP C 54 5.943 -1.344 -4.726 1.00 0.00 H new ATOM 0 HE1 TRP C 54 4.416 -2.952 -3.378 1.00 0.00 H new ATOM 0 HE3 TRP C 54 1.905 1.667 -4.422 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 1.759 -2.848 -2.338 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 -0.096 0.895 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP C 54 -0.176 -1.339 -2.233 1.00 0.00 H new ATOM 818 N GLY C 55 2.122 2.170 -6.644 1.00 0.00 N ATOM 819 CA GLY C 55 1.215 3.285 -6.750 1.00 0.00 C ATOM 820 C GLY C 55 -0.122 3.101 -6.066 1.00 0.00 C ATOM 821 O GLY C 55 -0.546 1.986 -5.764 1.00 0.00 O ATOM 0 H GLY C 55 1.731 1.319 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.700 4.167 -6.331 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.039 3.489 -7.806 1.00 0.00 H new ATOM 825 N ILE C 56 -0.773 4.227 -5.807 1.00 0.00 N ATOM 826 CA ILE C 56 -2.129 4.237 -5.267 1.00 0.00 C ATOM 827 C ILE C 56 -3.076 4.949 -6.232 1.00 0.00 C ATOM 828 O ILE C 56 -2.739 6.009 -6.771 1.00 0.00 O ATOM 829 CB ILE C 56 -2.212 4.937 -3.886 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.382 4.213 -2.832 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.657 5.015 -3.409 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.116 4.380 -2.968 1.00 0.00 C ATOM 0 H ILE C 56 -0.380 5.155 -5.964 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.422 3.195 -5.140 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.810 5.942 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.684 4.569 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.619 3.150 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.694 5.510 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.247 5.583 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -4.065 4.008 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.617 3.828 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.439 3.996 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.373 5.437 -2.894 1.00 0.00 H new ATOM 844 N PHE C 57 -4.252 4.368 -6.449 1.00 0.00 N ATOM 845 CA PHE C 57 -5.245 4.960 -7.337 1.00 0.00 C ATOM 846 C PHE C 57 -6.603 5.063 -6.640 1.00 0.00 C ATOM 847 O PHE C 57 -7.247 4.050 -6.367 1.00 0.00 O ATOM 848 CB PHE C 57 -5.394 4.133 -8.621 1.00 0.00 C ATOM 849 CG PHE C 57 -4.094 3.819 -9.309 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.314 2.749 -8.896 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.654 4.589 -10.372 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.123 2.455 -9.528 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.462 4.299 -11.009 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.696 3.231 -10.585 1.00 0.00 C ATOM 0 H PHE C 57 -4.540 3.488 -6.022 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.899 5.960 -7.597 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.899 3.198 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.038 4.674 -9.315 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.643 2.138 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.249 5.426 -10.707 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.526 1.619 -9.195 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.130 4.907 -11.838 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.764 3.004 -11.081 1.00 0.00 H new ATOM 864 N VAL C 58 -7.030 6.288 -6.362 1.00 0.00 N ATOM 865 CA VAL C 58 -8.330 6.532 -5.744 1.00 0.00 C ATOM 866 C VAL C 58 -9.423 6.446 -6.800 1.00 0.00 C ATOM 867 O VAL C 58 -9.566 7.357 -7.611 1.00 0.00 O ATOM 868 CB VAL C 58 -8.398 7.925 -5.080 1.00 0.00 C ATOM 869 CG1 VAL C 58 -9.699 8.093 -4.308 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.201 8.157 -4.175 1.00 0.00 C ATOM 0 H VAL C 58 -6.493 7.133 -6.555 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.474 5.773 -4.975 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.372 8.675 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -9.725 9.081 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -10.543 7.988 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.762 7.331 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -7.274 9.145 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.184 7.398 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.284 8.094 -4.761 1.00 0.00 H new ATOM 880 N ASN C 59 -10.183 5.349 -6.797 1.00 0.00 N ATOM 881 CA ASN C 59 -11.188 5.102 -7.837 1.00 0.00 C ATOM 882 C ASN C 59 -10.541 5.099 -9.222 1.00 0.00 C ATOM 883 O ASN C 59 -11.182 5.424 -10.222 1.00 0.00 O ATOM 884 CB ASN C 59 -12.311 6.152 -7.798 1.00 0.00 C ATOM 885 CG ASN C 59 -13.193 6.057 -6.564 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.751 5.663 -5.486 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.456 6.425 -6.719 1.00 0.00 N ATOM 0 H ASN C 59 -10.123 4.618 -6.088 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.624 4.123 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.868 7.147 -7.841 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.932 6.040 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.099 6.387 -5.928 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.786 6.746 -7.629 1.00 0.00 H new ATOM 894 N GLY C 60 -9.265 4.733 -9.274 1.00 0.00 N ATOM 895 CA GLY C 60 -8.544 4.721 -10.533 1.00 0.00 C ATOM 896 C GLY C 60 -7.890 6.056 -10.857 1.00 0.00 C ATOM 897 O GLY C 60 -7.440 6.272 -11.982 1.00 0.00 O ATOM 0 H GLY C 60 -8.716 4.444 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.778 3.946 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.231 4.455 -11.336 1.00 0.00 H new ATOM 901 N GLU C 61 -7.826 6.946 -9.873 1.00 0.00 N ATOM 902 CA GLU C 61 -7.191 8.249 -10.055 1.00 0.00 C ATOM 903 C GLU C 61 -5.851 8.280 -9.325 1.00 0.00 C ATOM 904 O GLU C 61 -5.730 7.778 -8.210 1.00 0.00 O ATOM 905 CB GLU C 61 -8.101 9.364 -9.525 1.00 0.00 C ATOM 906 CG GLU C 61 -7.528 10.762 -9.706 1.00 0.00 C ATOM 907 CD GLU C 61 -8.364 11.834 -9.036 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.277 11.972 -7.798 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.093 12.560 -9.745 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.206 6.790 -8.939 1.00 0.00 H new ATOM 0 HA GLU C 61 -7.023 8.411 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.063 9.307 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.290 9.193 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.517 10.790 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.450 10.982 -10.771 1.00 0.00 H new ATOM 916 N LYS C 62 -4.851 8.867 -9.965 1.00 0.00 N ATOM 917 CA LYS C 62 -3.500 8.906 -9.422 1.00 0.00 C ATOM 918 C LYS C 62 -3.448 9.798 -8.183 1.00 0.00 C ATOM 919 O LYS C 62 -3.955 10.920 -8.202 1.00 0.00 O ATOM 920 CB LYS C 62 -2.535 9.443 -10.484 1.00 0.00 C ATOM 921 CG LYS C 62 -1.115 8.911 -10.368 1.00 0.00 C ATOM 922 CD LYS C 62 -1.039 7.452 -10.786 1.00 0.00 C ATOM 923 CE LYS C 62 0.397 6.963 -10.886 1.00 0.00 C ATOM 924 NZ LYS C 62 1.180 7.723 -11.898 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.951 9.327 -10.870 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.206 7.895 -9.138 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.924 9.193 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.509 10.531 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -0.449 9.506 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -0.767 9.016 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -1.581 6.840 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.533 7.324 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.879 7.054 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.401 5.904 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 2.022 7.176 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.591 7.889 -12.739 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.474 8.636 -11.495 1.00 0.00 H new ATOM 938 N VAL C 63 -2.856 9.296 -7.106 1.00 0.00 N ATOM 939 CA VAL C 63 -2.676 10.101 -5.900 1.00 0.00 C ATOM 940 C VAL C 63 -1.228 10.052 -5.411 1.00 0.00 C ATOM 941 O VAL C 63 -0.560 11.085 -5.341 1.00 0.00 O ATOM 942 CB VAL C 63 -3.650 9.686 -4.764 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.670 8.184 -4.570 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.293 10.383 -3.458 1.00 0.00 C ATOM 0 H VAL C 63 -2.495 8.344 -7.041 1.00 0.00 H new ATOM 0 HA VAL C 63 -2.914 11.129 -6.173 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.650 10.000 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.362 7.930 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -3.992 7.702 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -2.670 7.837 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -3.990 10.075 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.279 10.111 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.354 11.463 -3.593 1.00 0.00 H new ATOM 954 N TYR C 64 -0.731 8.864 -5.085 1.00 0.00 N ATOM 955 CA TYR C 64 0.639 8.727 -4.629 1.00 0.00 C ATOM 956 C TYR C 64 1.324 7.579 -5.356 1.00 0.00 C ATOM 957 O TYR C 64 0.751 6.503 -5.512 1.00 0.00 O ATOM 958 CB TYR C 64 0.679 8.505 -3.113 1.00 0.00 C ATOM 959 CG TYR C 64 2.077 8.502 -2.530 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.666 7.324 -2.087 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.808 9.678 -2.429 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.943 7.319 -1.561 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.086 9.681 -1.903 1.00 0.00 C ATOM 964 CZ TYR C 64 4.648 8.499 -1.471 1.00 0.00 C ATOM 965 OH TYR C 64 5.922 8.494 -0.951 1.00 0.00 O ATOM 0 H TYR C 64 -1.255 7.990 -5.129 1.00 0.00 H new ATOM 0 HA TYR C 64 1.175 9.649 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.094 9.285 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.197 7.555 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.116 6.397 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.371 10.606 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.387 6.395 -1.222 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.641 10.604 -1.831 1.00 0.00 H new ATOM 0 HH TYR C 64 6.282 9.406 -0.958 1.00 0.00 H new ATOM 975 N THR C 65 2.534 7.829 -5.821 1.00 0.00 N ATOM 976 CA THR C 65 3.332 6.815 -6.487 1.00 0.00 C ATOM 977 C THR C 65 4.710 6.760 -5.830 1.00 0.00 C ATOM 978 O THR C 65 5.226 7.796 -5.402 1.00 0.00 O ATOM 979 CB THR C 65 3.488 7.149 -7.986 1.00 0.00 C ATOM 980 OG1 THR C 65 2.202 7.409 -8.552 1.00 0.00 O ATOM 981 CG2 THR C 65 4.163 6.020 -8.751 1.00 0.00 C ATOM 0 H THR C 65 2.991 8.738 -5.748 1.00 0.00 H new ATOM 0 HA THR C 65 2.834 5.850 -6.397 1.00 0.00 H new ATOM 0 HB THR C 65 4.122 8.032 -8.068 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.181 8.321 -8.910 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.253 6.296 -9.802 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.155 5.842 -8.336 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.565 5.113 -8.664 1.00 0.00 H new ATOM 989 N PHE C 66 5.307 5.578 -5.732 1.00 0.00 N ATOM 990 CA PHE C 66 6.608 5.455 -5.085 1.00 0.00 C ATOM 991 C PHE C 66 7.335 4.197 -5.539 1.00 0.00 C ATOM 992 O PHE C 66 6.789 3.387 -6.283 1.00 0.00 O ATOM 993 CB PHE C 66 6.454 5.445 -3.555 1.00 0.00 C ATOM 994 CG PHE C 66 5.812 4.201 -2.992 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.591 3.119 -2.604 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.436 4.120 -2.835 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.016 1.984 -2.072 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.853 2.984 -2.304 1.00 0.00 C ATOM 999 CZ PHE C 66 4.645 1.916 -1.920 1.00 0.00 C ATOM 0 H PHE C 66 4.919 4.704 -6.086 1.00 0.00 H new ATOM 0 HA PHE C 66 7.203 6.320 -5.377 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.439 5.565 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.860 6.310 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.664 3.167 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.814 4.952 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.636 1.151 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.780 2.930 -2.189 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.191 1.030 -1.502 1.00 0.00 H new ATOM 1009 N ASN C 67 8.572 4.055 -5.091 1.00 0.00 N ATOM 1010 CA ASN C 67 9.349 2.846 -5.326 1.00 0.00 C ATOM 1011 C ASN C 67 9.757 2.270 -3.980 1.00 0.00 C ATOM 1012 O ASN C 67 10.243 2.995 -3.113 1.00 0.00 O ATOM 1013 CB ASN C 67 10.601 3.151 -6.160 1.00 0.00 C ATOM 1014 CG ASN C 67 10.291 3.758 -7.516 1.00 0.00 C ATOM 1015 OD1 ASN C 67 9.253 3.486 -8.120 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.198 4.582 -8.012 1.00 0.00 N ATOM 0 H ASN C 67 9.065 4.770 -4.556 1.00 0.00 H new ATOM 0 HA ASN C 67 8.743 2.130 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.242 3.834 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.166 2.230 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.049 5.015 -8.923 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.047 4.784 -7.483 1.00 0.00 H new ATOM 1023 N GLU C 68 9.554 0.965 -3.808 1.00 0.00 N ATOM 1024 CA GLU C 68 9.725 0.322 -2.502 1.00 0.00 C ATOM 1025 C GLU C 68 11.149 0.451 -1.967 1.00 0.00 C ATOM 1026 O GLU C 68 11.357 0.385 -0.761 1.00 0.00 O ATOM 1027 CB GLU C 68 9.374 -1.165 -2.558 1.00 0.00 C ATOM 1028 CG GLU C 68 7.983 -1.489 -3.056 1.00 0.00 C ATOM 1029 CD GLU C 68 7.713 -2.980 -3.039 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.587 -3.553 -1.938 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.643 -3.588 -4.126 1.00 0.00 O1- ATOM 0 H GLU C 68 9.271 0.331 -4.555 1.00 0.00 H new ATOM 0 HA GLU C 68 9.043 0.844 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.097 -1.667 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU C 68 9.490 -1.585 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.247 -0.979 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.862 -1.109 -4.071 1.00 0.00 H new ATOM 1038 N LYS C 69 12.125 0.634 -2.855 1.00 0.00 N ATOM 1039 CA LYS C 69 13.532 0.642 -2.447 1.00 0.00 C ATOM 1040 C LYS C 69 13.906 1.937 -1.750 1.00 0.00 C ATOM 1041 O LYS C 69 15.075 2.162 -1.439 1.00 0.00 O ATOM 1042 CB LYS C 69 14.461 0.432 -3.639 1.00 0.00 C ATOM 1043 CG LYS C 69 14.350 1.523 -4.681 1.00 0.00 C ATOM 1044 CD LYS C 69 15.142 1.175 -5.931 1.00 0.00 C ATOM 1045 CE LYS C 69 16.547 1.761 -5.907 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.404 1.150 -4.859 1.00 0.00 N1+ ATOM 0 H LYS C 69 11.972 0.778 -3.853 1.00 0.00 H new ATOM 0 HA LYS C 69 13.654 -0.185 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.490 0.381 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.235 -0.528 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.303 1.675 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.715 2.463 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.204 0.091 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS C 69 14.612 1.544 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.013 1.617 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS C 69 16.485 2.836 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.396 1.416 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.104 1.491 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.313 0.115 -4.896 1.00 0.00 H new ATOM 1060 N SER C 70 12.929 2.803 -1.538 1.00 0.00 N ATOM 1061 CA SER C 70 13.156 3.983 -0.743 1.00 0.00 C ATOM 1062 C SER C 70 13.235 3.571 0.733 1.00 0.00 C ATOM 1063 O SER C 70 14.101 2.784 1.114 1.00 0.00 O ATOM 1064 CB SER C 70 12.049 5.014 -0.981 1.00 0.00 C ATOM 1065 OG SER C 70 11.975 5.371 -2.352 1.00 0.00 O ATOM 0 H SER C 70 11.982 2.707 -1.904 1.00 0.00 H new ATOM 0 HA SER C 70 14.096 4.453 -1.032 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.092 4.607 -0.655 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.239 5.903 -0.380 1.00 0.00 H new ATOM 0 HG SER C 70 11.448 4.702 -2.836 1.00 0.00 H new ATOM 1071 N THR C 71 12.346 4.088 1.563 1.00 0.00 N ATOM 1072 CA THR C 71 12.172 3.559 2.891 1.00 0.00 C ATOM 1073 C THR C 71 10.693 3.342 3.140 1.00 0.00 C ATOM 1074 O THR C 71 9.889 4.268 3.029 1.00 0.00 O ATOM 1075 CB THR C 71 12.762 4.495 3.962 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.320 5.841 3.743 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.283 4.442 3.960 1.00 0.00 C ATOM 0 H THR C 71 11.737 4.873 1.335 1.00 0.00 H new ATOM 0 HA THR C 71 12.709 2.613 2.962 1.00 0.00 H new ATOM 0 HB THR C 71 12.409 4.155 4.936 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.060 6.460 3.913 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.671 5.113 4.726 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.612 3.424 4.168 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.657 4.751 2.984 1.00 0.00 H new ATOM 1085 N VAL C 72 10.341 2.113 3.462 1.00 0.00 N ATOM 1086 CA VAL C 72 8.953 1.712 3.567 1.00 0.00 C ATOM 1087 C VAL C 72 8.247 2.454 4.700 1.00 0.00 C ATOM 1088 O VAL C 72 7.026 2.551 4.714 1.00 0.00 O ATOM 1089 CB VAL C 72 8.832 0.182 3.774 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.485 -0.332 3.300 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.954 -0.560 3.064 1.00 0.00 C ATOM 0 H VAL C 72 11.008 1.366 3.658 1.00 0.00 H new ATOM 0 HA VAL C 72 8.465 1.975 2.629 1.00 0.00 H new ATOM 0 HB VAL C 72 8.916 -0.007 4.844 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.430 -1.409 3.458 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.690 0.158 3.862 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.366 -0.115 2.239 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.842 -1.632 3.228 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.910 -0.350 1.995 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.915 -0.231 3.459 1.00 0.00 H new ATOM 1101 N GLY C 73 9.019 3.010 5.624 1.00 0.00 N ATOM 1102 CA GLY C 73 8.432 3.732 6.744 1.00 0.00 C ATOM 1103 C GLY C 73 7.971 5.112 6.355 1.00 0.00 C ATOM 1104 O GLY C 73 6.859 5.517 6.703 1.00 0.00 O ATOM 0 H GLY C 73 10.038 2.976 5.622 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.587 3.166 7.136 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.164 3.809 7.548 1.00 0.00 H new ATOM 1108 N ASN C 74 8.808 5.833 5.619 1.00 0.00 N ATOM 1109 CA ASN C 74 8.412 7.131 5.090 1.00 0.00 C ATOM 1110 C ASN C 74 7.242 6.958 4.144 1.00 0.00 C ATOM 1111 O ASN C 74 6.414 7.850 3.990 1.00 0.00 O ATOM 1112 CB ASN C 74 9.566 7.826 4.362 1.00 0.00 C ATOM 1113 CG ASN C 74 10.524 8.514 5.310 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.292 9.653 5.717 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.614 7.848 5.646 1.00 0.00 N ATOM 0 H ASN C 74 9.756 5.544 5.377 1.00 0.00 H new ATOM 0 HA ASN C 74 8.123 7.761 5.931 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.112 7.091 3.770 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.161 8.560 3.665 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.302 8.276 6.265 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.767 6.906 5.286 1.00 0.00 H new ATOM 1122 N ILE C 75 7.180 5.797 3.514 1.00 0.00 N ATOM 1123 CA ILE C 75 6.094 5.491 2.610 1.00 0.00 C ATOM 1124 C ILE C 75 4.818 5.157 3.376 1.00 0.00 C ATOM 1125 O ILE C 75 3.850 5.913 3.330 1.00 0.00 O ATOM 1126 CB ILE C 75 6.436 4.308 1.688 1.00 0.00 C ATOM 1127 CG1 ILE C 75 7.714 4.582 0.887 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.270 4.027 0.761 1.00 0.00 C ATOM 1129 CD1 ILE C 75 7.653 5.828 0.031 1.00 0.00 C ATOM 0 H ILE C 75 7.871 5.053 3.615 1.00 0.00 H new ATOM 0 HA ILE C 75 5.937 6.383 2.003 1.00 0.00 H new ATOM 0 HB ILE C 75 6.618 3.428 2.305 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.551 4.671 1.579 1.00 0.00 H new ATOM 0 HG13 ILE C 75 7.919 3.724 0.247 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.517 3.188 0.110 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.387 3.781 1.351 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.066 4.910 0.155 1.00 0.00 H new ATOM 0 HD11 ILE C 75 8.596 5.949 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE C 75 6.839 5.736 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.481 6.697 0.666 1.00 0.00 H new ATOM 1141 N SER C 76 4.841 4.034 4.095 1.00 0.00 N ATOM 1142 CA SER C 76 3.642 3.484 4.730 1.00 0.00 C ATOM 1143 C SER C 76 2.898 4.506 5.562 1.00 0.00 C ATOM 1144 O SER C 76 1.689 4.675 5.425 1.00 0.00 O ATOM 1145 CB SER C 76 3.993 2.289 5.615 1.00 0.00 C ATOM 1146 OG SER C 76 4.754 1.329 4.904 1.00 0.00 O ATOM 0 H SER C 76 5.685 3.483 4.253 1.00 0.00 H new ATOM 0 HA SER C 76 2.989 3.169 3.916 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.555 2.630 6.485 1.00 0.00 H new ATOM 0 HB3 SER C 76 3.078 1.828 5.987 1.00 0.00 H new ATOM 0 HG SER C 76 5.673 1.652 4.800 1.00 0.00 H new ATOM 1152 N ASN C 77 3.612 5.189 6.421 1.00 0.00 N ATOM 1153 CA ASN C 77 2.953 6.092 7.353 1.00 0.00 C ATOM 1154 C ASN C 77 2.621 7.451 6.732 1.00 0.00 C ATOM 1155 O ASN C 77 1.770 8.171 7.253 1.00 0.00 O ATOM 1156 CB ASN C 77 3.739 6.216 8.661 1.00 0.00 C ATOM 1157 CG ASN C 77 3.482 5.027 9.582 1.00 0.00 C ATOM 1158 OD1 ASN C 77 2.261 4.499 9.542 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 4.362 4.595 10.323 1.00 0.00 N flip ATOM 0 H ASN C 77 4.628 5.145 6.501 1.00 0.00 H new ATOM 0 HA ASN C 77 1.990 5.644 7.599 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.804 6.284 8.441 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.459 7.139 9.169 1.00 0.00 H new ATOM 0 HD21 ASN C 77 5.286 5.028 10.324 1.00 0.00 H new ATOM 0 HD22 ASN C 77 4.169 3.804 10.937 1.00 0.00 H new ATOM 1166 N ASP C 78 3.249 7.801 5.607 1.00 0.00 N ATOM 1167 CA ASP C 78 2.770 8.943 4.822 1.00 0.00 C ATOM 1168 C ASP C 78 1.485 8.566 4.125 1.00 0.00 C ATOM 1169 O ASP C 78 0.589 9.391 3.951 1.00 0.00 O ATOM 1170 CB ASP C 78 3.772 9.400 3.770 1.00 0.00 C ATOM 1171 CG ASP C 78 4.675 10.516 4.259 1.00 0.00 C ATOM 1172 OD1 ASP C 78 4.601 11.628 3.695 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.453 10.299 5.210 1.00 0.00 O1- ATOM 0 H ASP C 78 4.068 7.326 5.226 1.00 0.00 H new ATOM 0 HA ASP C 78 2.619 9.767 5.520 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.384 8.551 3.466 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.233 9.737 2.885 1.00 0.00 H new ATOM 1178 N ILE C 79 1.411 7.302 3.722 1.00 0.00 N ATOM 1179 CA ILE C 79 0.207 6.746 3.132 1.00 0.00 C ATOM 1180 C ILE C 79 -0.960 6.876 4.106 1.00 0.00 C ATOM 1181 O ILE C 79 -2.119 6.976 3.704 1.00 0.00 O ATOM 1182 CB ILE C 79 0.410 5.261 2.732 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.406 5.149 1.575 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.907 4.601 2.354 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.640 3.727 1.114 1.00 0.00 C ATOM 0 H ILE C 79 2.183 6.639 3.796 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.018 7.309 2.226 1.00 0.00 H new ATOM 0 HB ILE C 79 0.812 4.738 3.600 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.042 5.740 0.734 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.357 5.584 1.882 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.727 3.562 2.079 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.590 4.639 3.203 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.349 5.128 1.509 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.356 3.724 0.292 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.034 3.137 1.941 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.698 3.295 0.776 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.654 6.920 5.393 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.702 7.025 6.389 1.00 0.00 C ATOM 1199 C ASN C 80 -2.131 8.455 6.593 1.00 0.00 C ATOM 1200 O ASN C 80 -3.265 8.707 6.994 1.00 0.00 O ATOM 1201 CB ASN C 80 -1.291 6.445 7.736 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.824 5.018 7.651 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -1.065 4.323 6.668 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.192 4.561 8.713 1.00 0.00 N ATOM 0 H ASN C 80 0.295 6.885 5.766 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.535 6.442 5.997 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.494 7.056 8.159 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -2.136 6.503 8.422 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.120 3.590 8.742 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.015 5.178 9.506 1.00 0.00 H new ATOM 1211 N LYS C 81 -1.233 9.394 6.342 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.602 10.797 6.381 1.00 0.00 C ATOM 1213 C LYS C 81 -2.749 11.007 5.411 1.00 0.00 C ATOM 1214 O LYS C 81 -3.736 11.662 5.719 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.414 11.690 6.007 1.00 0.00 C ATOM 1216 CG LYS C 81 0.827 11.457 6.859 1.00 0.00 C ATOM 1217 CD LYS C 81 0.561 11.690 8.338 1.00 0.00 C ATOM 1218 CE LYS C 81 0.182 13.133 8.629 1.00 0.00 C ATOM 1219 NZ LYS C 81 -0.096 13.350 10.072 1.00 0.00 N1+ ATOM 0 H LYS C 81 -0.256 9.213 6.112 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.905 11.070 7.392 1.00 0.00 H new ATOM 0 HB2 LYS C 81 -0.161 11.521 4.960 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.714 12.734 6.098 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.180 10.436 6.712 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.624 12.122 6.526 1.00 0.00 H new ATOM 0 HD2 LYS C 81 -0.241 11.031 8.670 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.449 11.426 8.912 1.00 0.00 H new ATOM 0 HE2 LYS C 81 0.990 13.792 8.311 1.00 0.00 H new ATOM 0 HE3 LYS C 81 -0.698 13.403 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 -0.351 14.346 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 -0.884 12.739 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 0.752 13.117 10.628 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.626 10.357 4.263 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.642 10.392 3.220 1.00 0.00 C ATOM 1235 C LEU C 82 -5.001 9.966 3.776 1.00 0.00 C ATOM 1236 O LEU C 82 -6.030 10.499 3.378 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.241 9.441 2.089 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.732 9.353 1.798 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.480 8.414 0.629 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.157 10.732 1.499 1.00 0.00 C ATOM 0 H LEU C 82 -1.814 9.787 4.027 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.720 11.412 2.843 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.605 8.443 2.332 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.751 9.753 1.178 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.233 8.960 2.684 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.410 8.359 0.431 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.856 7.420 0.873 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.994 8.789 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.090 10.645 1.296 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.658 11.154 0.628 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.311 11.385 2.358 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.953 9.035 4.731 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.136 8.391 5.339 1.00 0.00 C ATOM 1254 C ASN C 83 -7.257 8.097 4.343 1.00 0.00 C ATOM 1255 O ASN C 83 -8.007 8.989 3.931 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.653 9.186 6.536 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.605 8.363 7.821 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.617 7.464 7.931 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -7.436 8.541 8.714 1.00 0.00 N flip ATOM 0 H ASN C 83 -4.073 8.695 5.118 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.791 7.420 5.694 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.055 10.089 6.659 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.678 9.506 6.346 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -8.174 9.235 8.593 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -7.386 7.994 9.574 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.357 6.817 3.988 1.00 0.00 N ATOM 1267 CA ILE C 84 -8.369 6.308 3.064 1.00 0.00 C ATOM 1268 C ILE C 84 -9.751 6.867 3.380 1.00 0.00 C ATOM 1269 O ILE C 84 -10.068 7.150 4.530 1.00 0.00 O ATOM 1270 CB ILE C 84 -8.431 4.755 3.100 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -8.576 4.186 1.703 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -9.595 4.257 3.944 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -7.370 4.411 0.822 1.00 0.00 C ATOM 0 H ILE C 84 -6.729 6.094 4.339 1.00 0.00 H new ATOM 0 HA ILE C 84 -8.075 6.636 2.067 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.495 4.417 3.545 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -8.766 3.115 1.775 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -9.449 4.633 1.228 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -9.604 3.167 3.944 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.484 4.619 4.966 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -10.531 4.628 3.527 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -7.551 3.975 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -7.191 5.481 0.717 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -6.497 3.939 1.273 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.551 7.031 2.347 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.903 7.545 2.484 1.00 0.00 C ATOM 1287 C LYS C 85 -12.715 7.142 1.272 1.00 0.00 C ATOM 1288 O LYS C 85 -13.724 7.766 0.944 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.866 9.072 2.629 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.928 9.753 1.626 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.534 9.871 0.236 1.00 0.00 C ATOM 1292 CE LYS C 85 -10.479 10.227 -0.797 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.815 11.525 -0.497 1.00 0.00 N1+ ATOM 0 H LYS C 85 -10.285 6.812 1.387 1.00 0.00 H new ATOM 0 HA LYS C 85 -12.369 7.127 3.376 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.874 9.467 2.500 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.551 9.327 3.641 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.673 10.748 1.992 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -9.998 9.188 1.565 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -12.010 8.929 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -12.314 10.633 0.240 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.729 9.437 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -10.940 10.276 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -9.164 11.769 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -10.535 12.270 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.281 11.445 0.392 1.00 0.00 H new ATOM 1307 N GLY C 86 -12.265 6.089 0.610 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.805 5.763 -0.683 1.00 0.00 C ATOM 1309 C GLY C 86 -13.615 4.486 -0.688 1.00 0.00 C ATOM 1310 O GLY C 86 -13.495 3.672 0.226 1.00 0.00 O ATOM 0 H GLY C 86 -11.538 5.458 0.947 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.434 6.585 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.987 5.669 -1.398 1.00 0.00 H new ATOM 1314 N PRO C 87 -14.441 4.279 -1.724 1.00 0.00 N ATOM 1315 CA PRO C 87 -15.238 3.060 -1.873 1.00 0.00 C ATOM 1316 C PRO C 87 -14.411 1.912 -2.447 1.00 0.00 C ATOM 1317 O PRO C 87 -14.519 0.771 -1.996 1.00 0.00 O ATOM 1318 CB PRO C 87 -16.313 3.489 -2.866 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.603 4.461 -3.741 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.695 5.234 -2.822 1.00 0.00 C ATOM 0 HA PRO C 87 -15.628 2.689 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.697 2.642 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -17.165 3.948 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -15.034 3.949 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -16.307 5.122 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.772 5.529 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -15.169 6.147 -2.461 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.587 2.228 -3.443 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.659 1.273 -4.006 1.00 0.00 C ATOM 1330 C TYR C 88 -11.385 1.994 -4.412 1.00 0.00 C ATOM 1331 O TYR C 88 -11.401 2.905 -5.241 1.00 0.00 O ATOM 1332 CB TYR C 88 -13.268 0.498 -5.189 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.759 1.358 -6.340 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.997 1.988 -6.291 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -12.983 1.530 -7.483 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -15.444 2.764 -7.344 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -13.425 2.305 -8.537 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.655 2.920 -8.462 1.00 0.00 C ATOM 1339 OH TYR C 88 -15.098 3.697 -9.510 1.00 0.00 O ATOM 0 H TYR C 88 -13.550 3.151 -3.875 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.425 0.529 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -12.521 -0.199 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -14.102 -0.099 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -15.619 1.869 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -12.018 1.049 -7.546 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -16.409 3.246 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -12.809 2.428 -9.416 1.00 0.00 H new ATOM 0 HH TYR C 88 -14.423 3.705 -10.220 1.00 0.00 H new ATOM 1349 N ILE C 89 -10.290 1.621 -3.785 1.00 0.00 N ATOM 1350 CA ILE C 89 -9.022 2.273 -4.028 1.00 0.00 C ATOM 1351 C ILE C 89 -7.937 1.235 -4.236 1.00 0.00 C ATOM 1352 O ILE C 89 -7.815 0.284 -3.463 1.00 0.00 O ATOM 1353 CB ILE C 89 -8.643 3.223 -2.869 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -9.650 4.378 -2.793 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -7.224 3.754 -3.042 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -9.354 5.383 -1.704 1.00 0.00 C ATOM 0 H ILE C 89 -10.253 0.866 -3.100 1.00 0.00 H new ATOM 0 HA ILE C 89 -9.119 2.876 -4.931 1.00 0.00 H new ATOM 0 HB ILE C 89 -8.676 2.664 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -9.669 4.894 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -10.647 3.967 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.981 4.420 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -6.522 2.920 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -7.153 4.302 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -10.111 6.167 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -9.365 4.884 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -8.372 5.824 -1.873 1.00 0.00 H new ATOM 1368 N GLU C 90 -7.153 1.426 -5.280 1.00 0.00 N ATOM 1369 CA GLU C 90 -6.135 0.468 -5.647 1.00 0.00 C ATOM 1370 C GLU C 90 -4.820 0.803 -4.983 1.00 0.00 C ATOM 1371 O GLU C 90 -4.193 1.812 -5.306 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.923 0.461 -7.153 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.174 0.155 -7.955 1.00 0.00 C ATOM 1374 CD GLU C 90 -6.908 0.143 -9.444 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -6.324 -0.845 -9.938 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.277 1.119 -10.130 1.00 0.00 O1- ATOM 0 H GLU C 90 -7.205 2.242 -5.890 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.476 -0.513 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.537 1.434 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.158 -0.276 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.571 -0.813 -7.651 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.939 0.898 -7.730 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.412 -0.029 -4.050 1.00 0.00 N ATOM 1384 CA ILE C 91 -3.091 0.081 -3.494 1.00 0.00 C ATOM 1385 C ILE C 91 -2.263 -1.108 -4.008 1.00 0.00 C ATOM 1386 O ILE C 91 -2.363 -2.239 -3.529 1.00 0.00 O ATOM 1387 CB ILE C 91 -3.155 0.195 -1.936 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.857 0.776 -1.384 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -3.461 -1.138 -1.266 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.994 1.363 0.006 1.00 0.00 C ATOM 0 H ILE C 91 -4.978 -0.785 -3.665 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.595 0.996 -3.818 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.978 0.871 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -1.098 -0.006 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -1.499 1.551 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -3.494 -1.003 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -4.425 -1.508 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -2.683 -1.859 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -1.031 1.756 0.331 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.728 2.168 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.321 0.587 0.698 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.479 -0.849 -5.050 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.786 -1.914 -5.768 1.00 0.00 C ATOM 1404 C LYS C 92 0.292 -1.341 -6.675 1.00 0.00 C ATOM 1405 O LYS C 92 0.229 -0.181 -7.072 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.800 -2.710 -6.599 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.636 -1.845 -7.534 1.00 0.00 C ATOM 1408 CD LYS C 92 -2.054 -1.781 -8.938 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.993 -1.061 -9.891 1.00 0.00 C ATOM 1410 NZ LYS C 92 -2.440 -0.988 -11.269 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.308 0.088 -5.416 1.00 0.00 H new ATOM 0 HA LYS C 92 -0.307 -2.573 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.268 -3.457 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.465 -3.250 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.650 -2.241 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.706 -0.837 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -1.093 -1.267 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -1.866 -2.791 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -3.953 -1.577 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -3.181 -0.053 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -2.747 -0.103 -11.720 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -1.401 -1.013 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -2.784 -1.797 -11.825 1.00 0.00 H new ATOM 1424 N GLN C 93 1.280 -2.153 -7.010 1.00 0.00 N ATOM 1425 CA GLN C 93 2.321 -1.710 -7.917 1.00 0.00 C ATOM 1426 C GLN C 93 1.926 -1.938 -9.364 1.00 0.00 C ATOM 1427 O GLN C 93 1.013 -2.708 -9.664 1.00 0.00 O ATOM 1428 CB GLN C 93 3.665 -2.361 -7.604 1.00 0.00 C ATOM 1429 CG GLN C 93 3.577 -3.791 -7.104 1.00 0.00 C ATOM 1430 CD GLN C 93 4.939 -4.386 -6.806 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.137 -5.596 -6.922 1.00 0.00 O ATOM 1432 NE2 GLN C 93 5.893 -3.540 -6.439 1.00 0.00 N ATOM 0 H GLN C 93 1.382 -3.110 -6.672 1.00 0.00 H new ATOM 0 HA GLN C 93 2.439 -0.637 -7.767 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.280 -2.342 -8.504 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.179 -1.759 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN C 93 2.966 -3.820 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.072 -4.403 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN C 93 5.687 -2.545 -6.355 1.00 0.00 H new ATOM 0 HE22 GLN C 93 6.832 -3.885 -6.241 1.00 0.00 H new ATOM 1441 N ILE C 94 2.637 -1.268 -10.248 1.00 0.00 N ATOM 1442 CA ILE C 94 2.243 -1.153 -11.640 1.00 0.00 C ATOM 1443 C ILE C 94 3.218 -1.871 -12.564 1.00 0.00 C ATOM 1444 O ILE C 94 3.747 -1.229 -13.497 1.00 0.00 O ATOM 1445 CB ILE C 94 2.144 0.338 -12.019 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.265 1.125 -11.316 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.778 0.884 -11.647 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.064 2.622 -11.278 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.468 -3.073 -12.343 1.00 0.00 O ATOM 0 H ILE C 94 3.507 -0.786 -10.022 1.00 0.00 H new ATOM 0 HA ILE C 94 1.271 -1.631 -11.762 1.00 0.00 H new ATOM 0 HB ILE C 94 2.267 0.447 -13.097 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.359 0.760 -10.293 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.209 0.912 -11.819 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.721 1.938 -11.920 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.007 0.329 -12.181 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.624 0.778 -10.573 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.904 3.089 -10.764 1.00 0.00 H new ATOM 0 HD12 ILE C 94 3.003 3.007 -12.296 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.140 2.852 -10.747 1.00 0.00 H new