USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -12! C(o=-11!,f=-14!) USER MOD Set 1.2: A 83 TYR OH : rot -9:sc= 1.02 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.57) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.406 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc=-0.000196 F(o=-1.4,f=-0.0002) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0636 K(o=-0.064,f=-0.6) USER MOD Single : A 48 SER OG : rot 180:sc= -0.108 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 ASN : amide:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.023 K(o=-0.023,f=-1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.82! USER MOD Single : A 67 THR OG1 : rot 24:sc= 0.372 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 10.161 4.095 5.299 1.00 0.00 N ATOM 100 CA SER A 10 10.480 3.205 6.409 1.00 0.00 C ATOM 101 C SER A 10 9.775 3.655 7.685 1.00 0.00 C ATOM 102 O SER A 10 9.229 2.837 8.425 1.00 0.00 O ATOM 103 CB SER A 10 11.992 3.161 6.637 1.00 0.00 C ATOM 104 OG SER A 10 12.324 2.266 7.685 1.00 0.00 O ATOM 0 HA SER A 10 10.129 2.205 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.493 2.853 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.356 4.160 6.879 1.00 0.00 H new ATOM 0 HG SER A 10 13.296 2.255 7.810 1.00 0.00 H new ATOM 110 N GLN A 11 9.791 4.960 7.935 1.00 0.00 N ATOM 111 CA GLN A 11 9.154 5.519 9.121 1.00 0.00 C ATOM 112 C GLN A 11 7.647 5.291 9.088 1.00 0.00 C ATOM 113 O GLN A 11 7.016 5.091 10.126 1.00 0.00 O ATOM 114 CB GLN A 11 9.454 7.015 9.230 1.00 0.00 C ATOM 115 CG GLN A 11 10.829 7.320 9.802 1.00 0.00 C ATOM 116 CD GLN A 11 11.187 6.423 10.971 1.00 0.00 C ATOM 117 OE1 GLN A 11 11.892 5.427 10.811 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.702 6.774 12.156 1.00 0.00 N ATOM 0 H GLN A 11 10.238 5.650 7.332 1.00 0.00 H new ATOM 0 HA GLN A 11 9.561 5.010 9.995 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.373 7.466 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.696 7.484 9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.578 7.205 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.862 8.361 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.121 7.608 12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.910 6.209 12.980 1.00 0.00 H new ATOM 127 N ARG A 12 7.075 5.324 7.889 1.00 0.00 N ATOM 128 CA ARG A 12 5.641 5.123 7.721 1.00 0.00 C ATOM 129 C ARG A 12 5.256 3.677 8.018 1.00 0.00 C ATOM 130 O ARG A 12 6.059 2.754 7.881 1.00 0.00 O ATOM 131 CB ARG A 12 5.215 5.493 6.299 1.00 0.00 C ATOM 132 CG ARG A 12 5.365 6.973 5.984 1.00 0.00 C ATOM 133 CD ARG A 12 4.250 7.792 6.614 1.00 0.00 C ATOM 134 NE ARG A 12 4.542 8.136 8.003 1.00 0.00 N ATOM 135 CZ ARG A 12 5.393 9.091 8.362 1.00 0.00 C ATOM 136 NH1 ARG A 12 6.033 9.793 7.437 1.00 0.00 N ATOM 137 NH2 ARG A 12 5.605 9.344 9.647 1.00 0.00 N ATOM 0 H ARG A 12 7.583 5.488 7.020 1.00 0.00 H new ATOM 0 HA ARG A 12 5.124 5.772 8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.809 4.917 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.175 5.203 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.329 7.328 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.359 7.119 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.101 8.705 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.317 7.230 6.568 1.00 0.00 H new ATOM 0 HE ARG A 12 4.066 7.614 8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.872 9.600 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.686 10.526 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.114 8.805 10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.259 10.077 9.921 1.00 0.00 H new ATOM 151 N PRO A 13 3.998 3.473 8.436 1.00 0.00 N ATOM 152 CA PRO A 13 3.478 2.141 8.761 1.00 0.00 C ATOM 153 C PRO A 13 3.313 1.265 7.524 1.00 0.00 C ATOM 154 O PRO A 13 3.024 1.760 6.434 1.00 0.00 O ATOM 155 CB PRO A 13 2.115 2.437 9.392 1.00 0.00 C ATOM 156 CG PRO A 13 1.711 3.753 8.822 1.00 0.00 C ATOM 157 CD PRO A 13 2.986 4.526 8.622 1.00 0.00 C ATOM 0 HA PRO A 13 4.154 1.588 9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.389 1.661 9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.183 2.481 10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.181 3.624 7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.037 4.280 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.926 5.183 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.214 5.155 9.483 1.00 0.00 H new ATOM 165 N TYR A 14 3.499 -0.039 7.699 1.00 0.00 N ATOM 166 CA TYR A 14 3.373 -0.984 6.596 1.00 0.00 C ATOM 167 C TYR A 14 2.033 -0.816 5.885 1.00 0.00 C ATOM 168 O TYR A 14 1.984 -0.539 4.687 1.00 0.00 O ATOM 169 CB TYR A 14 3.516 -2.418 7.107 1.00 0.00 C ATOM 170 CG TYR A 14 4.008 -3.389 6.057 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.135 -3.105 5.294 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.347 -4.589 5.827 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.588 -3.988 4.334 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.795 -5.479 4.870 1.00 0.00 C ATOM 175 CZ TYR A 14 4.915 -5.174 4.126 1.00 0.00 C ATOM 176 OH TYR A 14 5.363 -6.057 3.170 1.00 0.00 O ATOM 0 H TYR A 14 3.738 -0.465 8.594 1.00 0.00 H new ATOM 0 HA TYR A 14 4.171 -0.779 5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.207 -2.427 7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.551 -2.759 7.482 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.665 -2.178 5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.468 -4.830 6.406 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.465 -3.751 3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.271 -6.409 4.706 1.00 0.00 H new ATOM 0 HH TYR A 14 4.778 -6.843 3.151 1.00 0.00 H new ATOM 186 N ARG A 15 0.948 -0.986 6.634 1.00 0.00 N ATOM 187 CA ARG A 15 -0.392 -0.854 6.077 1.00 0.00 C ATOM 188 C ARG A 15 -0.442 0.261 5.037 1.00 0.00 C ATOM 189 O ARG A 15 -0.684 0.012 3.856 1.00 0.00 O ATOM 190 CB ARG A 15 -1.405 -0.574 7.190 1.00 0.00 C ATOM 191 CG ARG A 15 -2.715 0.010 6.688 1.00 0.00 C ATOM 192 CD ARG A 15 -3.831 -0.172 7.705 1.00 0.00 C ATOM 193 NE ARG A 15 -3.921 0.957 8.627 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.703 0.968 9.701 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.458 -0.084 9.986 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.730 2.033 10.492 1.00 0.00 N ATOM 0 H ARG A 15 0.971 -1.215 7.628 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.649 -1.794 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.611 -1.502 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.961 0.115 7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.584 1.071 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.994 -0.471 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.781 -0.291 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.661 -1.089 8.270 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.352 1.782 8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.439 -0.904 9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.057 -0.073 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.150 2.844 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.331 2.041 11.316 1.00 0.00 H new ATOM 210 N ASP A 16 -0.213 1.491 5.485 1.00 0.00 N ATOM 211 CA ASP A 16 -0.231 2.645 4.593 1.00 0.00 C ATOM 212 C ASP A 16 0.557 2.359 3.319 1.00 0.00 C ATOM 213 O ASP A 16 0.038 2.499 2.211 1.00 0.00 O ATOM 214 CB ASP A 16 0.347 3.872 5.300 1.00 0.00 C ATOM 215 CG ASP A 16 -0.653 4.525 6.235 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.105 3.853 7.185 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.981 5.710 6.016 1.00 0.00 O ATOM 0 H ASP A 16 -0.013 1.714 6.460 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.267 2.847 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.231 3.579 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.671 4.598 4.555 1.00 0.00 H new ATOM 222 N ARG A 17 1.814 1.959 3.483 1.00 0.00 N ATOM 223 CA ARG A 17 2.674 1.656 2.346 1.00 0.00 C ATOM 224 C ARG A 17 1.955 0.757 1.344 1.00 0.00 C ATOM 225 O ARG A 17 2.045 0.962 0.134 1.00 0.00 O ATOM 226 CB ARG A 17 3.963 0.981 2.819 1.00 0.00 C ATOM 227 CG ARG A 17 4.891 1.910 3.584 1.00 0.00 C ATOM 228 CD ARG A 17 6.048 1.149 4.212 1.00 0.00 C ATOM 229 NE ARG A 17 5.749 0.728 5.578 1.00 0.00 N ATOM 230 CZ ARG A 17 6.606 0.064 6.347 1.00 0.00 C ATOM 231 NH1 ARG A 17 7.808 -0.252 5.886 1.00 0.00 N ATOM 232 NH2 ARG A 17 6.260 -0.285 7.579 1.00 0.00 N ATOM 0 H ARG A 17 2.259 1.837 4.393 1.00 0.00 H new ATOM 0 HA ARG A 17 2.924 2.595 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.707 0.133 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.493 0.583 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.280 2.674 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.329 2.427 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.278 0.273 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.938 1.779 4.213 1.00 0.00 H new ATOM 0 HE ARG A 17 4.832 0.956 5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.077 0.014 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.464 -0.762 6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.336 -0.044 7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.918 -0.795 8.169 1.00 0.00 H new ATOM 246 N VAL A 18 1.241 -0.240 1.858 1.00 0.00 N ATOM 247 CA VAL A 18 0.506 -1.170 1.009 1.00 0.00 C ATOM 248 C VAL A 18 -0.657 -0.475 0.310 1.00 0.00 C ATOM 249 O VAL A 18 -0.668 -0.341 -0.914 1.00 0.00 O ATOM 250 CB VAL A 18 -0.035 -2.362 1.820 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.876 -3.271 0.937 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.109 -3.135 2.459 1.00 0.00 C ATOM 0 H VAL A 18 1.156 -0.424 2.858 1.00 0.00 H new ATOM 0 HA VAL A 18 1.208 -1.538 0.261 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.673 -1.978 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.250 -4.108 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.717 -2.708 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.265 -3.649 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.708 -3.974 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.774 -3.509 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.665 -2.476 3.126 1.00 0.00 H new ATOM 262 N ILE A 19 -1.633 -0.034 1.096 1.00 0.00 N ATOM 263 CA ILE A 19 -2.801 0.649 0.553 1.00 0.00 C ATOM 264 C ILE A 19 -2.389 1.785 -0.377 1.00 0.00 C ATOM 265 O ILE A 19 -3.115 2.132 -1.310 1.00 0.00 O ATOM 266 CB ILE A 19 -3.694 1.215 1.673 1.00 0.00 C ATOM 267 CG1 ILE A 19 -3.105 2.520 2.213 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.851 0.196 2.791 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.926 3.140 3.322 1.00 0.00 C ATOM 0 H ILE A 19 -1.638 -0.137 2.111 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.367 -0.093 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.680 1.426 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.097 2.329 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.016 3.235 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.485 0.611 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.309 -0.710 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.872 -0.044 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.449 4.061 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.927 3.363 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.994 2.443 4.157 1.00 0.00 H new ATOM 281 N HIS A 20 -1.219 2.360 -0.119 1.00 0.00 N ATOM 282 CA HIS A 20 -0.709 3.456 -0.935 1.00 0.00 C ATOM 283 C HIS A 20 -0.256 2.951 -2.301 1.00 0.00 C ATOM 284 O HIS A 20 -0.266 3.694 -3.284 1.00 0.00 O ATOM 285 CB HIS A 20 0.453 4.151 -0.224 1.00 0.00 C ATOM 286 CG HIS A 20 0.027 5.296 0.643 1.00 0.00 C ATOM 287 ND1 HIS A 20 -0.008 5.225 2.019 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.383 6.545 0.321 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.422 6.381 2.507 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.656 7.199 1.497 1.00 0.00 N ATOM 0 H HIS A 20 -0.606 2.085 0.649 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.516 4.173 -1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.983 3.421 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.159 4.514 -0.970 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.246 4.408 2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.478 6.951 -0.675 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.548 6.617 3.553 1.00 0.00 H new ATOM 298 N LEU A 21 0.141 1.685 -2.357 1.00 0.00 N ATOM 299 CA LEU A 21 0.598 1.080 -3.603 1.00 0.00 C ATOM 300 C LEU A 21 -0.567 0.459 -4.366 1.00 0.00 C ATOM 301 O LEU A 21 -0.659 0.583 -5.588 1.00 0.00 O ATOM 302 CB LEU A 21 1.661 0.017 -3.317 1.00 0.00 C ATOM 303 CG LEU A 21 3.017 0.536 -2.837 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.813 -0.581 -2.179 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.798 1.139 -3.995 1.00 0.00 C ATOM 0 H LEU A 21 0.156 1.057 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 21 1.035 1.865 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.269 -0.667 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.818 -0.565 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 21 2.844 1.317 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.775 -0.193 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.259 -0.967 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.976 -1.384 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.760 1.503 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.961 0.379 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.233 1.968 -4.422 1.00 0.00 H new ATOM 317 N LEU A 22 -1.455 -0.209 -3.639 1.00 0.00 N ATOM 318 CA LEU A 22 -2.616 -0.849 -4.247 1.00 0.00 C ATOM 319 C LEU A 22 -3.568 0.191 -4.830 1.00 0.00 C ATOM 320 O LEU A 22 -4.272 -0.074 -5.803 1.00 0.00 O ATOM 321 CB LEU A 22 -3.350 -1.706 -3.214 1.00 0.00 C ATOM 322 CG LEU A 22 -2.620 -2.965 -2.746 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.287 -3.539 -1.505 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.578 -4.002 -3.858 1.00 0.00 C ATOM 0 H LEU A 22 -1.393 -0.322 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.265 -1.488 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.561 -1.087 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.311 -2.002 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.596 -2.693 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.754 -4.435 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.264 -2.799 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.322 -3.795 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.055 -4.891 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.595 -4.269 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.054 -3.590 -4.720 1.00 0.00 H new ATOM 336 N ALA A 23 -3.581 1.376 -4.229 1.00 0.00 N ATOM 337 CA ALA A 23 -4.442 2.458 -4.691 1.00 0.00 C ATOM 338 C ALA A 23 -4.255 2.709 -6.183 1.00 0.00 C ATOM 339 O ALA A 23 -5.188 2.548 -6.972 1.00 0.00 O ATOM 340 CB ALA A 23 -4.164 3.728 -3.901 1.00 0.00 C ATOM 0 H ALA A 23 -3.005 1.611 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.478 2.161 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.814 4.527 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.356 3.548 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.123 4.020 -4.036 1.00 0.00 H new ATOM 346 N LEU A 24 -3.046 3.103 -6.565 1.00 0.00 N ATOM 347 CA LEU A 24 -2.737 3.377 -7.964 1.00 0.00 C ATOM 348 C LEU A 24 -3.287 2.279 -8.869 1.00 0.00 C ATOM 349 O LEU A 24 -3.989 2.555 -9.842 1.00 0.00 O ATOM 350 CB LEU A 24 -1.225 3.503 -8.158 1.00 0.00 C ATOM 351 CG LEU A 24 -0.542 4.637 -7.392 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.970 4.529 -7.512 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.023 5.989 -7.899 1.00 0.00 C ATOM 0 H LEU A 24 -2.263 3.240 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.212 4.319 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.761 2.562 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.025 3.638 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.809 4.549 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.438 5.344 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.301 3.576 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.257 4.589 -8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.526 6.784 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.786 6.085 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.101 6.067 -7.759 1.00 0.00 H new ATOM 365 N LYS A 25 -2.965 1.033 -8.540 1.00 0.00 N ATOM 366 CA LYS A 25 -3.429 -0.109 -9.319 1.00 0.00 C ATOM 367 C LYS A 25 -3.384 -1.388 -8.490 1.00 0.00 C ATOM 368 O LYS A 25 -2.902 -1.388 -7.358 1.00 0.00 O ATOM 369 CB LYS A 25 -2.575 -0.274 -10.578 1.00 0.00 C ATOM 370 CG LYS A 25 -1.180 -0.809 -10.302 1.00 0.00 C ATOM 371 CD LYS A 25 -0.563 -1.426 -11.545 1.00 0.00 C ATOM 372 CE LYS A 25 0.486 -2.468 -11.188 1.00 0.00 C ATOM 373 NZ LYS A 25 0.650 -3.482 -12.266 1.00 0.00 N ATOM 0 H LYS A 25 -2.384 0.788 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.463 0.078 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.084 -0.949 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.492 0.690 -11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.544 -0.000 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.226 -1.555 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.344 -1.887 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.108 -0.644 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.441 -1.975 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.202 -2.966 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.373 -4.174 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.254 -3.971 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.946 -3.010 -13.144 1.00 0.00 H new ATOM 387 N ALA A 26 -3.887 -2.477 -9.063 1.00 0.00 N ATOM 388 CA ALA A 26 -3.901 -3.763 -8.378 1.00 0.00 C ATOM 389 C ALA A 26 -2.507 -4.381 -8.341 1.00 0.00 C ATOM 390 O ALA A 26 -1.805 -4.413 -9.352 1.00 0.00 O ATOM 391 CB ALA A 26 -4.882 -4.710 -9.052 1.00 0.00 C ATOM 0 H ALA A 26 -4.290 -2.494 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.223 -3.595 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.882 -5.667 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.883 -4.280 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.585 -4.863 -10.090 1.00 0.00 H new ATOM 397 N TYR A 27 -2.111 -4.869 -7.171 1.00 0.00 N ATOM 398 CA TYR A 27 -0.799 -5.483 -7.003 1.00 0.00 C ATOM 399 C TYR A 27 -0.927 -6.895 -6.441 1.00 0.00 C ATOM 400 O TYR A 27 -1.787 -7.169 -5.603 1.00 0.00 O ATOM 401 CB TYR A 27 0.071 -4.630 -6.077 1.00 0.00 C ATOM 402 CG TYR A 27 0.900 -3.598 -6.807 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.327 -2.422 -7.275 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.257 -3.799 -7.028 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.081 -1.477 -7.943 1.00 0.00 C ATOM 406 CE2 TYR A 27 3.019 -2.858 -7.694 1.00 0.00 C ATOM 407 CZ TYR A 27 2.427 -1.699 -8.150 1.00 0.00 C ATOM 408 OH TYR A 27 3.181 -0.759 -8.814 1.00 0.00 O ATOM 0 H TYR A 27 -2.680 -4.851 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.325 -5.543 -7.983 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.569 -4.124 -5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.735 -5.284 -5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.726 -2.244 -7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.724 -4.706 -6.673 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.619 -0.569 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.073 -3.029 -7.857 1.00 0.00 H new ATOM 0 HH TYR A 27 4.109 -1.068 -8.875 1.00 0.00 H new ATOM 418 N LYS A 28 -0.063 -7.791 -6.907 1.00 0.00 N ATOM 419 CA LYS A 28 -0.075 -9.176 -6.452 1.00 0.00 C ATOM 420 C LYS A 28 0.757 -9.339 -5.184 1.00 0.00 C ATOM 421 O LYS A 28 1.738 -8.624 -4.976 1.00 0.00 O ATOM 422 CB LYS A 28 0.461 -10.099 -7.548 1.00 0.00 C ATOM 423 CG LYS A 28 -0.319 -10.016 -8.849 1.00 0.00 C ATOM 424 CD LYS A 28 0.254 -8.957 -9.776 1.00 0.00 C ATOM 425 CE LYS A 28 -0.403 -9.002 -11.147 1.00 0.00 C ATOM 426 NZ LYS A 28 0.223 -8.038 -12.094 1.00 0.00 N ATOM 0 H LYS A 28 0.655 -7.582 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.106 -9.449 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.504 -9.850 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.441 -11.127 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.301 -10.985 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.363 -9.787 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.111 -7.970 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.329 -9.107 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.328 -10.011 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.465 -8.777 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.253 -8.099 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.129 -7.072 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.231 -8.268 -12.208 1.00 0.00 H new ATOM 440 N LYS A 29 0.360 -10.284 -4.338 1.00 0.00 N ATOM 441 CA LYS A 29 1.069 -10.543 -3.091 1.00 0.00 C ATOM 442 C LYS A 29 2.573 -10.365 -3.274 1.00 0.00 C ATOM 443 O LYS A 29 3.226 -9.613 -2.551 1.00 0.00 O ATOM 444 CB LYS A 29 0.769 -11.959 -2.595 1.00 0.00 C ATOM 445 CG LYS A 29 1.783 -12.480 -1.591 1.00 0.00 C ATOM 446 CD LYS A 29 1.443 -12.041 -0.176 1.00 0.00 C ATOM 447 CE LYS A 29 2.696 -11.841 0.662 1.00 0.00 C ATOM 448 NZ LYS A 29 3.433 -13.119 0.871 1.00 0.00 N ATOM 0 H LYS A 29 -0.450 -10.884 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 29 0.723 -9.824 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.221 -11.973 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.736 -12.635 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.816 -13.569 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.777 -12.120 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.874 -11.112 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.805 -12.789 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.350 -11.121 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.423 -11.417 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.281 -12.941 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.818 -13.798 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.716 -13.511 -0.050 1.00 0.00 H new ATOM 462 N PRO A 30 3.138 -11.072 -4.265 1.00 0.00 N ATOM 463 CA PRO A 30 4.571 -11.007 -4.567 1.00 0.00 C ATOM 464 C PRO A 30 4.977 -9.664 -5.162 1.00 0.00 C ATOM 465 O PRO A 30 5.965 -9.063 -4.741 1.00 0.00 O ATOM 466 CB PRO A 30 4.768 -12.128 -5.591 1.00 0.00 C ATOM 467 CG PRO A 30 3.435 -12.293 -6.234 1.00 0.00 C ATOM 468 CD PRO A 30 2.420 -11.989 -5.166 1.00 0.00 C ATOM 0 HA PRO A 30 5.182 -11.117 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.531 -11.865 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.092 -13.051 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.324 -11.617 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.308 -13.306 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.525 -11.525 -5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.099 -12.893 -4.648 1.00 0.00 H new ATOM 476 N GLU A 31 4.209 -9.198 -6.141 1.00 0.00 N ATOM 477 CA GLU A 31 4.491 -7.925 -6.794 1.00 0.00 C ATOM 478 C GLU A 31 4.526 -6.788 -5.776 1.00 0.00 C ATOM 479 O GLU A 31 5.560 -6.148 -5.579 1.00 0.00 O ATOM 480 CB GLU A 31 3.439 -7.632 -7.866 1.00 0.00 C ATOM 481 CG GLU A 31 3.840 -6.523 -8.824 1.00 0.00 C ATOM 482 CD GLU A 31 2.944 -6.457 -10.046 1.00 0.00 C ATOM 483 OE1 GLU A 31 1.844 -5.875 -9.944 1.00 0.00 O ATOM 484 OE2 GLU A 31 3.343 -6.987 -11.104 1.00 0.00 O ATOM 0 H GLU A 31 3.386 -9.683 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 31 5.470 -7.997 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.249 -8.542 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.502 -7.360 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.807 -5.567 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.871 -6.677 -9.142 1.00 0.00 H new ATOM 491 N LEU A 32 3.390 -6.543 -5.132 1.00 0.00 N ATOM 492 CA LEU A 32 3.289 -5.483 -4.135 1.00 0.00 C ATOM 493 C LEU A 32 4.548 -5.424 -3.275 1.00 0.00 C ATOM 494 O LEU A 32 5.048 -4.342 -2.961 1.00 0.00 O ATOM 495 CB LEU A 32 2.062 -5.705 -3.249 1.00 0.00 C ATOM 496 CG LEU A 32 1.406 -4.445 -2.683 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.356 -4.810 -1.646 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.455 -3.522 -2.081 1.00 0.00 C ATOM 0 H LEU A 32 2.526 -7.064 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 32 3.184 -4.533 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.316 -6.251 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.351 -6.345 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 32 0.913 -3.917 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.100 -3.901 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.411 -5.431 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.826 -5.361 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.970 -2.631 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.977 -4.040 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.170 -3.233 -2.851 1.00 0.00 H new ATOM 510 N LEU A 33 5.057 -6.592 -2.899 1.00 0.00 N ATOM 511 CA LEU A 33 6.259 -6.673 -2.077 1.00 0.00 C ATOM 512 C LEU A 33 7.444 -6.016 -2.778 1.00 0.00 C ATOM 513 O LEU A 33 8.073 -5.108 -2.236 1.00 0.00 O ATOM 514 CB LEU A 33 6.585 -8.133 -1.759 1.00 0.00 C ATOM 515 CG LEU A 33 5.947 -8.704 -0.492 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.976 -10.224 -0.517 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.656 -8.176 0.747 1.00 0.00 C ATOM 0 H LEU A 33 4.656 -7.496 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 33 6.070 -6.138 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.275 -8.746 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.667 -8.232 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 33 4.906 -8.382 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.518 -10.612 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.422 -10.584 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.009 -10.567 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.189 -8.593 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.706 -8.468 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.582 -7.089 0.773 1.00 0.00 H new ATOM 529 N ALA A 34 7.741 -6.481 -3.987 1.00 0.00 N ATOM 530 CA ALA A 34 8.847 -5.936 -4.764 1.00 0.00 C ATOM 531 C ALA A 34 8.985 -4.433 -4.543 1.00 0.00 C ATOM 532 O ALA A 34 10.085 -3.885 -4.615 1.00 0.00 O ATOM 533 CB ALA A 34 8.652 -6.238 -6.243 1.00 0.00 C ATOM 0 H ALA A 34 7.231 -7.234 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 34 9.767 -6.413 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.485 -5.825 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.610 -7.317 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.720 -5.788 -6.586 1.00 0.00 H new ATOM 539 N ARG A 35 7.864 -3.774 -4.274 1.00 0.00 N ATOM 540 CA ARG A 35 7.860 -2.334 -4.045 1.00 0.00 C ATOM 541 C ARG A 35 8.339 -2.008 -2.633 1.00 0.00 C ATOM 542 O ARG A 35 9.186 -1.134 -2.440 1.00 0.00 O ATOM 543 CB ARG A 35 6.457 -1.764 -4.263 1.00 0.00 C ATOM 544 CG ARG A 35 6.159 -1.418 -5.713 1.00 0.00 C ATOM 545 CD ARG A 35 6.958 -0.209 -6.172 1.00 0.00 C ATOM 546 NE ARG A 35 6.643 0.164 -7.549 1.00 0.00 N ATOM 547 CZ ARG A 35 6.998 -0.560 -8.605 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.675 -1.688 -8.443 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.675 -0.155 -9.827 1.00 0.00 N ATOM 0 H ARG A 35 6.946 -4.214 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 35 8.545 -1.876 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.721 -2.488 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.339 -0.869 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.393 -2.273 -6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.094 -1.217 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.752 0.634 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.023 -0.426 -6.090 1.00 0.00 H new ATOM 0 HE ARG A 35 6.123 1.027 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.925 -2.003 -7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.946 -2.241 -9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.154 0.712 -9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.948 -0.711 -10.637 1.00 0.00 H new ATOM 563 N LEU A 36 7.793 -2.714 -1.650 1.00 0.00 N ATOM 564 CA LEU A 36 8.163 -2.500 -0.256 1.00 0.00 C ATOM 565 C LEU A 36 9.565 -3.033 0.023 1.00 0.00 C ATOM 566 O LEU A 36 10.412 -2.324 0.566 1.00 0.00 O ATOM 567 CB LEU A 36 7.153 -3.178 0.671 1.00 0.00 C ATOM 568 CG LEU A 36 5.694 -2.755 0.499 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.760 -3.902 0.853 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.389 -1.533 1.353 1.00 0.00 C ATOM 0 H LEU A 36 7.092 -3.441 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 36 8.157 -1.427 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.218 -4.256 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.448 -2.982 1.702 1.00 0.00 H new ATOM 0 HG LEU A 36 5.533 -2.492 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.726 -3.582 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.961 -4.750 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.922 -4.197 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.346 -1.246 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.568 -1.769 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.034 -0.708 1.051 1.00 0.00 H new ATOM 582 N GLN A 37 9.802 -4.285 -0.354 1.00 0.00 N ATOM 583 CA GLN A 37 11.102 -4.913 -0.146 1.00 0.00 C ATOM 584 C GLN A 37 12.229 -3.993 -0.603 1.00 0.00 C ATOM 585 O GLN A 37 13.319 -3.997 -0.030 1.00 0.00 O ATOM 586 CB GLN A 37 11.176 -6.243 -0.897 1.00 0.00 C ATOM 587 CG GLN A 37 10.384 -7.360 -0.236 1.00 0.00 C ATOM 588 CD GLN A 37 11.222 -8.182 0.723 1.00 0.00 C ATOM 589 OE1 GLN A 37 12.218 -7.548 1.331 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 10.978 -9.373 0.915 1.00 0.00 N flip ATOM 0 H GLN A 37 9.111 -4.885 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 37 11.221 -5.101 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.806 -6.098 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.219 -6.547 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.539 -6.931 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.974 -8.014 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.202 -9.820 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.551 -9.913 1.563 1.00 0.00 H new ATOM 599 N LYS A 38 11.961 -3.205 -1.638 1.00 0.00 N ATOM 600 CA LYS A 38 12.952 -2.279 -2.173 1.00 0.00 C ATOM 601 C LYS A 38 13.428 -1.311 -1.096 1.00 0.00 C ATOM 602 O LYS A 38 14.626 -1.203 -0.830 1.00 0.00 O ATOM 603 CB LYS A 38 12.366 -1.499 -3.353 1.00 0.00 C ATOM 604 CG LYS A 38 12.377 -2.274 -4.659 1.00 0.00 C ATOM 605 CD LYS A 38 11.304 -1.774 -5.612 1.00 0.00 C ATOM 606 CE LYS A 38 11.816 -0.634 -6.479 1.00 0.00 C ATOM 607 NZ LYS A 38 11.146 -0.604 -7.809 1.00 0.00 N ATOM 0 H LYS A 38 11.064 -3.189 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 38 13.807 -2.860 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.340 -1.215 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.930 -0.575 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.356 -2.181 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.220 -3.333 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.970 -2.594 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.437 -1.438 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.650 0.314 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.892 -0.738 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.523 0.187 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.325 -1.499 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.122 -0.479 -7.679 1.00 0.00 H new ATOM 621 N ASP A 39 12.484 -0.609 -0.478 1.00 0.00 N ATOM 622 CA ASP A 39 12.808 0.349 0.573 1.00 0.00 C ATOM 623 C ASP A 39 13.247 -0.368 1.846 1.00 0.00 C ATOM 624 O ASP A 39 14.058 0.148 2.613 1.00 0.00 O ATOM 625 CB ASP A 39 11.602 1.243 0.866 1.00 0.00 C ATOM 626 CG ASP A 39 11.587 2.494 0.010 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.750 2.372 -1.222 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.410 3.595 0.572 1.00 0.00 O ATOM 0 H ASP A 39 11.489 -0.685 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 39 13.634 0.969 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.685 0.679 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.611 1.527 1.918 1.00 0.00 H new ATOM 633 N GLY A 40 12.705 -1.563 2.063 1.00 0.00 N ATOM 634 CA GLY A 40 13.051 -2.331 3.245 1.00 0.00 C ATOM 635 C GLY A 40 11.832 -2.882 3.956 1.00 0.00 C ATOM 636 O GLY A 40 11.137 -2.155 4.667 1.00 0.00 O ATOM 0 H GLY A 40 12.033 -2.013 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.705 -3.155 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.614 -1.700 3.932 1.00 0.00 H new ATOM 640 N VAL A 41 11.568 -4.171 3.764 1.00 0.00 N ATOM 641 CA VAL A 41 10.424 -4.819 4.393 1.00 0.00 C ATOM 642 C VAL A 41 10.851 -5.625 5.614 1.00 0.00 C ATOM 643 O VAL A 41 11.746 -6.465 5.534 1.00 0.00 O ATOM 644 CB VAL A 41 9.695 -5.750 3.406 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.801 -6.727 4.155 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.888 -4.938 2.404 1.00 0.00 C ATOM 0 H VAL A 41 12.131 -4.787 3.178 1.00 0.00 H new ATOM 0 HA VAL A 41 9.743 -4.027 4.705 1.00 0.00 H new ATOM 0 HB VAL A 41 10.441 -6.324 2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.294 -7.377 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.408 -7.332 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.060 -6.173 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.380 -5.612 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.150 -4.336 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.556 -4.283 1.845 1.00 0.00 H new ATOM 656 N ASN A 42 10.204 -5.363 6.745 1.00 0.00 N ATOM 657 CA ASN A 42 10.517 -6.065 7.985 1.00 0.00 C ATOM 658 C ASN A 42 10.045 -7.514 7.924 1.00 0.00 C ATOM 659 O ASN A 42 8.880 -7.786 7.634 1.00 0.00 O ATOM 660 CB ASN A 42 9.868 -5.355 9.175 1.00 0.00 C ATOM 661 CG ASN A 42 10.700 -5.465 10.438 1.00 0.00 C ATOM 662 OD1 ASN A 42 10.442 -6.501 11.228 1.00 0.00 O flip ATOM 663 ND2 ASN A 42 11.565 -4.629 10.700 1.00 0.00 N flip ATOM 0 H ASN A 42 9.460 -4.670 6.829 1.00 0.00 H new ATOM 0 HA ASN A 42 11.599 -6.059 8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.721 -4.303 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.881 -5.782 9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.729 -3.849 10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.117 -4.717 11.553 1.00 0.00 H new ATOM 670 N GLN A 43 10.957 -8.440 8.200 1.00 0.00 N ATOM 671 CA GLN A 43 10.634 -9.862 8.177 1.00 0.00 C ATOM 672 C GLN A 43 9.247 -10.114 8.758 1.00 0.00 C ATOM 673 O GLN A 43 8.497 -10.955 8.262 1.00 0.00 O ATOM 674 CB GLN A 43 11.680 -10.657 8.959 1.00 0.00 C ATOM 675 CG GLN A 43 11.761 -12.120 8.553 1.00 0.00 C ATOM 676 CD GLN A 43 13.041 -12.785 9.019 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.502 -12.556 10.137 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.623 -13.616 8.161 1.00 0.00 N ATOM 0 H GLN A 43 11.926 -8.231 8.442 1.00 0.00 H new ATOM 0 HA GLN A 43 10.639 -10.193 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.657 -10.195 8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.450 -10.596 10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.906 -12.656 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.691 -12.196 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.206 -13.777 7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.487 -14.093 8.419 1.00 0.00 H new ATOM 687 N LYS A 44 8.911 -9.380 9.814 1.00 0.00 N ATOM 688 CA LYS A 44 7.613 -9.523 10.463 1.00 0.00 C ATOM 689 C LYS A 44 6.481 -9.188 9.497 1.00 0.00 C ATOM 690 O LYS A 44 5.578 -9.996 9.281 1.00 0.00 O ATOM 691 CB LYS A 44 7.533 -8.616 11.693 1.00 0.00 C ATOM 692 CG LYS A 44 6.113 -8.354 12.165 1.00 0.00 C ATOM 693 CD LYS A 44 5.507 -9.584 12.820 1.00 0.00 C ATOM 694 CE LYS A 44 4.812 -10.473 11.800 1.00 0.00 C ATOM 695 NZ LYS A 44 3.906 -11.460 12.451 1.00 0.00 N ATOM 0 H LYS A 44 9.520 -8.680 10.238 1.00 0.00 H new ATOM 0 HA LYS A 44 7.504 -10.561 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.099 -9.070 12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.012 -7.664 11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.111 -7.525 12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.497 -8.051 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.289 -10.151 13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.792 -9.276 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.239 -9.854 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.560 -11.001 11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.451 -12.047 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.457 -12.067 13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.177 -10.956 12.994 1.00 0.00 H new ATOM 709 N ASP A 45 6.537 -7.994 8.919 1.00 0.00 N ATOM 710 CA ASP A 45 5.518 -7.553 7.974 1.00 0.00 C ATOM 711 C ASP A 45 5.387 -8.539 6.817 1.00 0.00 C ATOM 712 O ASP A 45 4.280 -8.862 6.385 1.00 0.00 O ATOM 713 CB ASP A 45 5.856 -6.161 7.438 1.00 0.00 C ATOM 714 CG ASP A 45 5.304 -5.054 8.314 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.066 -4.963 8.446 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.110 -4.276 8.867 1.00 0.00 O ATOM 0 H ASP A 45 7.278 -7.313 9.088 1.00 0.00 H new ATOM 0 HA ASP A 45 4.565 -7.509 8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.938 -6.056 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.456 -6.056 6.430 1.00 0.00 H new ATOM 721 N LYS A 46 6.523 -9.014 6.320 1.00 0.00 N ATOM 722 CA LYS A 46 6.538 -9.963 5.213 1.00 0.00 C ATOM 723 C LYS A 46 5.404 -10.974 5.349 1.00 0.00 C ATOM 724 O LYS A 46 4.933 -11.531 4.358 1.00 0.00 O ATOM 725 CB LYS A 46 7.882 -10.692 5.157 1.00 0.00 C ATOM 726 CG LYS A 46 9.054 -9.783 4.831 1.00 0.00 C ATOM 727 CD LYS A 46 10.294 -10.581 4.463 1.00 0.00 C ATOM 728 CE LYS A 46 11.549 -9.726 4.536 1.00 0.00 C ATOM 729 NZ LYS A 46 12.761 -10.543 4.820 1.00 0.00 N ATOM 0 H LYS A 46 7.447 -8.757 6.667 1.00 0.00 H new ATOM 0 HA LYS A 46 6.396 -9.406 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.064 -11.175 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.826 -11.482 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.786 -9.124 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.271 -9.146 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.393 -11.433 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.184 -10.982 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.682 -9.195 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.430 -8.971 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.595 -9.923 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.645 -11.030 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.890 -11.247 4.065 1.00 0.00 H new ATOM 743 N ASN A 47 4.969 -11.206 6.584 1.00 0.00 N ATOM 744 CA ASN A 47 3.889 -12.150 6.849 1.00 0.00 C ATOM 745 C ASN A 47 2.562 -11.420 7.036 1.00 0.00 C ATOM 746 O ASN A 47 1.516 -11.890 6.591 1.00 0.00 O ATOM 747 CB ASN A 47 4.206 -12.982 8.093 1.00 0.00 C ATOM 748 CG ASN A 47 5.086 -14.177 7.781 1.00 0.00 C ATOM 749 OD1 ASN A 47 4.873 -14.876 6.790 1.00 0.00 O ATOM 750 ND2 ASN A 47 6.080 -14.417 8.627 1.00 0.00 N ATOM 0 H ASN A 47 5.348 -10.754 7.416 1.00 0.00 H new ATOM 0 HA ASN A 47 3.800 -12.814 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.702 -12.352 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.275 -13.327 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.705 -15.207 8.469 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.219 -13.811 9.436 1.00 0.00 H new ATOM 757 N SER A 48 2.615 -10.268 7.697 1.00 0.00 N ATOM 758 CA SER A 48 1.417 -9.475 7.946 1.00 0.00 C ATOM 759 C SER A 48 0.778 -9.030 6.634 1.00 0.00 C ATOM 760 O SER A 48 -0.447 -8.998 6.505 1.00 0.00 O ATOM 761 CB SER A 48 1.758 -8.252 8.801 1.00 0.00 C ATOM 762 OG SER A 48 2.406 -8.635 10.002 1.00 0.00 O ATOM 0 H SER A 48 3.474 -9.863 8.069 1.00 0.00 H new ATOM 0 HA SER A 48 0.703 -10.099 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.401 -7.577 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.846 -7.702 9.035 1.00 0.00 H new ATOM 0 HG SER A 48 2.615 -7.836 10.530 1.00 0.00 H new ATOM 768 N LEU A 49 1.616 -8.686 5.662 1.00 0.00 N ATOM 769 CA LEU A 49 1.135 -8.242 4.358 1.00 0.00 C ATOM 770 C LEU A 49 -0.106 -9.026 3.940 1.00 0.00 C ATOM 771 O LEU A 49 -1.203 -8.475 3.862 1.00 0.00 O ATOM 772 CB LEU A 49 2.233 -8.404 3.305 1.00 0.00 C ATOM 773 CG LEU A 49 2.200 -7.409 2.144 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.053 -7.910 0.989 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.769 -7.169 1.688 1.00 0.00 C ATOM 0 H LEU A 49 2.632 -8.706 5.752 1.00 0.00 H new ATOM 0 HA LEU A 49 0.868 -7.188 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.200 -8.321 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.170 -9.412 2.895 1.00 0.00 H new ATOM 0 HG LEU A 49 2.613 -6.461 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.018 -7.190 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.084 -8.030 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.670 -8.870 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.765 -6.458 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.329 -8.111 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.186 -6.766 2.516 1.00 0.00 H new ATOM 787 N GLY A 50 0.077 -10.316 3.675 1.00 0.00 N ATOM 788 CA GLY A 50 -1.036 -11.154 3.270 1.00 0.00 C ATOM 789 C GLY A 50 -2.305 -10.845 4.039 1.00 0.00 C ATOM 790 O GLY A 50 -3.406 -10.945 3.499 1.00 0.00 O ATOM 0 H GLY A 50 0.976 -10.795 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.219 -11.019 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.771 -12.201 3.418 1.00 0.00 H new ATOM 794 N ALA A 51 -2.151 -10.469 5.304 1.00 0.00 N ATOM 795 CA ALA A 51 -3.294 -10.143 6.149 1.00 0.00 C ATOM 796 C ALA A 51 -3.809 -8.737 5.858 1.00 0.00 C ATOM 797 O ALA A 51 -5.017 -8.501 5.838 1.00 0.00 O ATOM 798 CB ALA A 51 -2.920 -10.277 7.617 1.00 0.00 C ATOM 0 H ALA A 51 -1.246 -10.382 5.767 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.094 -10.848 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.783 -10.031 8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.608 -11.301 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.101 -9.595 7.848 1.00 0.00 H new ATOM 804 N ILE A 52 -2.885 -7.809 5.634 1.00 0.00 N ATOM 805 CA ILE A 52 -3.247 -6.427 5.344 1.00 0.00 C ATOM 806 C ILE A 52 -3.960 -6.316 4.001 1.00 0.00 C ATOM 807 O ILE A 52 -4.944 -5.586 3.866 1.00 0.00 O ATOM 808 CB ILE A 52 -2.009 -5.511 5.332 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.307 -5.548 6.692 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.406 -4.087 4.973 1.00 0.00 C ATOM 811 CD1 ILE A 52 0.096 -4.984 6.663 1.00 0.00 C ATOM 0 H ILE A 52 -1.881 -7.989 5.648 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.920 -6.104 6.138 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.314 -5.875 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.901 -4.987 7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.268 -6.579 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.520 -3.452 4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.865 -4.076 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.118 -3.711 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.532 -5.042 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.705 -5.560 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.063 -3.943 6.342 1.00 0.00 H new ATOM 823 N LEU A 53 -3.460 -7.045 3.010 1.00 0.00 N ATOM 824 CA LEU A 53 -4.051 -7.030 1.676 1.00 0.00 C ATOM 825 C LEU A 53 -5.543 -7.340 1.737 1.00 0.00 C ATOM 826 O LEU A 53 -6.336 -6.771 0.987 1.00 0.00 O ATOM 827 CB LEU A 53 -3.345 -8.044 0.773 1.00 0.00 C ATOM 828 CG LEU A 53 -2.012 -7.594 0.173 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.140 -8.797 -0.152 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.246 -6.751 -1.072 1.00 0.00 C ATOM 0 H LEU A 53 -2.647 -7.654 3.104 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.923 -6.030 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.173 -8.954 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.019 -8.304 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.491 -6.982 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.196 -8.458 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.945 -9.362 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.654 -9.435 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.287 -6.439 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.787 -7.339 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.832 -5.870 -0.810 1.00 0.00 H new ATOM 842 N GLN A 54 -5.918 -8.243 2.637 1.00 0.00 N ATOM 843 CA GLN A 54 -7.316 -8.626 2.798 1.00 0.00 C ATOM 844 C GLN A 54 -8.026 -7.697 3.777 1.00 0.00 C ATOM 845 O GLN A 54 -9.252 -7.714 3.884 1.00 0.00 O ATOM 846 CB GLN A 54 -7.417 -10.073 3.283 1.00 0.00 C ATOM 847 CG GLN A 54 -8.782 -10.430 3.852 1.00 0.00 C ATOM 848 CD GLN A 54 -9.093 -11.909 3.736 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.360 -12.415 2.646 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.061 -12.610 4.863 1.00 0.00 N ATOM 0 H GLN A 54 -5.274 -8.723 3.266 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.804 -8.541 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.192 -10.742 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.658 -10.246 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.823 -10.135 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.550 -9.859 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.835 -12.149 5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.263 -13.610 4.848 1.00 0.00 H new ATOM 859 N GLN A 55 -7.248 -6.889 4.489 1.00 0.00 N ATOM 860 CA GLN A 55 -7.804 -5.954 5.460 1.00 0.00 C ATOM 861 C GLN A 55 -8.004 -4.577 4.837 1.00 0.00 C ATOM 862 O GLN A 55 -8.799 -3.773 5.324 1.00 0.00 O ATOM 863 CB GLN A 55 -6.886 -5.847 6.679 1.00 0.00 C ATOM 864 CG GLN A 55 -6.834 -7.115 7.515 1.00 0.00 C ATOM 865 CD GLN A 55 -7.889 -7.141 8.603 1.00 0.00 C ATOM 866 OE1 GLN A 55 -8.986 -6.607 8.433 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.564 -7.764 9.730 1.00 0.00 N ATOM 0 H GLN A 55 -6.231 -6.863 4.412 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.775 -6.333 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.878 -5.601 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.224 -5.022 7.306 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.967 -7.980 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.847 -7.206 7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.644 -8.193 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.235 -7.814 10.497 1.00 0.00 H new ATOM 876 N VAL A 56 -7.277 -4.310 3.756 1.00 0.00 N ATOM 877 CA VAL A 56 -7.375 -3.030 3.066 1.00 0.00 C ATOM 878 C VAL A 56 -7.696 -3.226 1.588 1.00 0.00 C ATOM 879 O VAL A 56 -8.236 -2.333 0.936 1.00 0.00 O ATOM 880 CB VAL A 56 -6.071 -2.221 3.194 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.725 -1.993 4.658 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.933 -2.928 2.473 1.00 0.00 C ATOM 0 H VAL A 56 -6.614 -4.964 3.340 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.185 -2.476 3.541 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.220 -1.248 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.801 -1.420 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.532 -1.441 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.594 -2.954 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.019 -2.343 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.782 -3.915 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.182 -3.034 1.417 1.00 0.00 H new ATOM 892 N ALA A 57 -7.360 -4.401 1.066 1.00 0.00 N ATOM 893 CA ALA A 57 -7.614 -4.715 -0.334 1.00 0.00 C ATOM 894 C ALA A 57 -8.410 -6.009 -0.470 1.00 0.00 C ATOM 895 O ALA A 57 -8.712 -6.670 0.522 1.00 0.00 O ATOM 896 CB ALA A 57 -6.303 -4.817 -1.099 1.00 0.00 C ATOM 0 H ALA A 57 -6.911 -5.151 1.592 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.208 -3.906 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.508 -5.052 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.772 -3.867 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.688 -5.605 -0.664 1.00 0.00 H new ATOM 902 N ASN A 58 -8.746 -6.364 -1.706 1.00 0.00 N ATOM 903 CA ASN A 58 -9.508 -7.579 -1.972 1.00 0.00 C ATOM 904 C ASN A 58 -8.811 -8.440 -3.021 1.00 0.00 C ATOM 905 O ASN A 58 -8.420 -7.950 -4.082 1.00 0.00 O ATOM 906 CB ASN A 58 -10.921 -7.227 -2.441 1.00 0.00 C ATOM 907 CG ASN A 58 -11.768 -6.634 -1.331 1.00 0.00 C ATOM 908 OD1 ASN A 58 -12.010 -7.276 -0.309 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.223 -5.402 -1.529 1.00 0.00 N ATOM 0 H ASN A 58 -8.503 -5.828 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.572 -8.149 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.861 -6.518 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.407 -8.124 -2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.798 -4.950 -0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.997 -4.907 -2.392 1.00 0.00 H new ATOM 916 N LEU A 59 -8.660 -9.724 -2.718 1.00 0.00 N ATOM 917 CA LEU A 59 -8.010 -10.655 -3.635 1.00 0.00 C ATOM 918 C LEU A 59 -8.974 -11.103 -4.730 1.00 0.00 C ATOM 919 O LEU A 59 -10.138 -11.397 -4.463 1.00 0.00 O ATOM 920 CB LEU A 59 -7.487 -11.873 -2.872 1.00 0.00 C ATOM 921 CG LEU A 59 -6.292 -12.594 -3.497 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.838 -13.742 -2.608 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.644 -13.101 -4.888 1.00 0.00 C ATOM 0 H LEU A 59 -8.978 -10.145 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.171 -10.139 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.209 -11.555 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.303 -12.588 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.470 -11.884 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.987 -14.244 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.546 -13.353 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.655 -14.453 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.782 -13.611 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.481 -13.796 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.921 -12.259 -5.523 1.00 0.00 H new ATOM 935 N ASN A 60 -8.480 -11.153 -5.962 1.00 0.00 N ATOM 936 CA ASN A 60 -9.297 -11.566 -7.097 1.00 0.00 C ATOM 937 C ASN A 60 -8.769 -12.863 -7.704 1.00 0.00 C ATOM 938 O ASN A 60 -7.811 -12.854 -8.477 1.00 0.00 O ATOM 939 CB ASN A 60 -9.323 -10.467 -8.161 1.00 0.00 C ATOM 940 CG ASN A 60 -10.607 -10.474 -8.968 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.364 -11.444 -8.942 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.857 -9.389 -9.692 1.00 0.00 N ATOM 0 H ASN A 60 -7.518 -10.913 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.311 -11.739 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.205 -9.496 -7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.474 -10.595 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.705 -9.337 -10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.201 -8.608 -9.684 1.00 0.00 H new ATOM 949 N SER A 61 -9.401 -13.977 -7.347 1.00 0.00 N ATOM 950 CA SER A 61 -8.994 -15.282 -7.854 1.00 0.00 C ATOM 951 C SER A 61 -8.708 -15.219 -9.351 1.00 0.00 C ATOM 952 O SER A 61 -7.841 -15.930 -9.860 1.00 0.00 O ATOM 953 CB SER A 61 -10.080 -16.323 -7.573 1.00 0.00 C ATOM 954 OG SER A 61 -11.331 -15.907 -8.094 1.00 0.00 O ATOM 0 H SER A 61 -10.196 -14.002 -6.709 1.00 0.00 H new ATOM 0 HA SER A 61 -8.079 -15.575 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.797 -17.278 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.165 -16.484 -6.498 1.00 0.00 H new ATOM 0 HG SER A 61 -12.008 -16.589 -7.903 1.00 0.00 H new ATOM 960 N LYS A 62 -9.444 -14.363 -10.052 1.00 0.00 N ATOM 961 CA LYS A 62 -9.271 -14.204 -11.491 1.00 0.00 C ATOM 962 C LYS A 62 -7.791 -14.161 -11.859 1.00 0.00 C ATOM 963 O LYS A 62 -7.270 -15.086 -12.484 1.00 0.00 O ATOM 964 CB LYS A 62 -9.964 -12.927 -11.971 1.00 0.00 C ATOM 965 CG LYS A 62 -10.441 -12.998 -13.411 1.00 0.00 C ATOM 966 CD LYS A 62 -11.069 -11.688 -13.856 1.00 0.00 C ATOM 967 CE LYS A 62 -11.218 -11.627 -15.368 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.087 -10.495 -15.795 1.00 0.00 N ATOM 0 H LYS A 62 -10.167 -13.768 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.725 -15.064 -11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.817 -12.722 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.275 -12.089 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.601 -13.239 -14.062 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.167 -13.804 -13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.047 -11.575 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.454 -10.855 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.234 -11.522 -15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.640 -12.565 -15.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.163 -10.488 -16.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.033 -10.608 -15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.672 -9.598 -15.472 1.00 0.00 H new ATOM 982 N ASP A 63 -7.120 -13.084 -11.468 1.00 0.00 N ATOM 983 CA ASP A 63 -5.699 -12.923 -11.755 1.00 0.00 C ATOM 984 C ASP A 63 -4.884 -12.893 -10.466 1.00 0.00 C ATOM 985 O ASP A 63 -3.776 -12.356 -10.431 1.00 0.00 O ATOM 986 CB ASP A 63 -5.461 -11.640 -12.553 1.00 0.00 C ATOM 987 CG ASP A 63 -5.656 -11.840 -14.043 1.00 0.00 C ATOM 988 OD1 ASP A 63 -4.901 -12.637 -14.639 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.564 -11.201 -14.613 1.00 0.00 O ATOM 0 H ASP A 63 -7.537 -12.309 -10.952 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.374 -13.777 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.142 -10.865 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.448 -11.282 -12.367 1.00 0.00 H new ATOM 994 N LEU A 64 -5.439 -13.473 -9.408 1.00 0.00 N ATOM 995 CA LEU A 64 -4.765 -13.513 -8.115 1.00 0.00 C ATOM 996 C LEU A 64 -4.139 -12.162 -7.786 1.00 0.00 C ATOM 997 O LEU A 64 -3.040 -12.093 -7.234 1.00 0.00 O ATOM 998 CB LEU A 64 -3.689 -14.600 -8.112 1.00 0.00 C ATOM 999 CG LEU A 64 -4.186 -16.036 -7.940 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.251 -17.012 -8.637 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.316 -16.381 -6.463 1.00 0.00 C ATOM 0 H LEU A 64 -6.355 -13.922 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.509 -13.744 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.136 -14.538 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.983 -14.382 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.171 -16.117 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.621 -18.029 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.208 -16.778 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.253 -16.930 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.671 -17.406 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.344 -16.282 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.026 -15.702 -5.992 1.00 0.00 H new ATOM 1013 N SER A 65 -4.846 -11.089 -8.125 1.00 0.00 N ATOM 1014 CA SER A 65 -4.359 -9.739 -7.867 1.00 0.00 C ATOM 1015 C SER A 65 -5.165 -9.074 -6.755 1.00 0.00 C ATOM 1016 O SER A 65 -6.376 -9.267 -6.651 1.00 0.00 O ATOM 1017 CB SER A 65 -4.434 -8.895 -9.141 1.00 0.00 C ATOM 1018 OG SER A 65 -5.779 -8.689 -9.538 1.00 0.00 O ATOM 0 H SER A 65 -5.758 -11.128 -8.579 1.00 0.00 H new ATOM 0 HA SER A 65 -3.320 -9.809 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.950 -7.933 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.887 -9.391 -9.943 1.00 0.00 H new ATOM 0 HG SER A 65 -5.800 -8.146 -10.353 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.483 -8.291 -5.927 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.133 -7.599 -4.820 1.00 0.00 C ATOM 1026 C TYR A 66 -5.540 -6.185 -5.225 1.00 0.00 C ATOM 1027 O TYR A 66 -4.718 -5.402 -5.703 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.203 -7.546 -3.607 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.112 -8.855 -2.856 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.098 -9.229 -1.951 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.042 -9.719 -3.053 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.018 -10.424 -1.262 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.955 -10.916 -2.370 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.945 -11.264 -1.475 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.863 -12.456 -0.792 1.00 0.00 O ATOM 0 H TYR A 66 -3.480 -8.119 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.032 -8.155 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.205 -7.256 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.552 -6.770 -2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.941 -8.575 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.265 -9.450 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.792 -10.699 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.116 -11.576 -2.536 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.047 -12.930 -1.058 1.00 0.00 H new ATOM 1045 N THR A 67 -6.815 -5.864 -5.030 1.00 0.00 N ATOM 1046 CA THR A 67 -7.333 -4.547 -5.375 1.00 0.00 C ATOM 1047 C THR A 67 -7.675 -3.746 -4.124 1.00 0.00 C ATOM 1048 O THR A 67 -8.451 -4.196 -3.279 1.00 0.00 O ATOM 1049 CB THR A 67 -8.587 -4.650 -6.263 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.669 -5.223 -5.519 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.309 -5.498 -7.495 1.00 0.00 C ATOM 0 H THR A 67 -7.508 -6.499 -4.634 1.00 0.00 H new ATOM 0 HA THR A 67 -6.547 -4.034 -5.929 1.00 0.00 H new ATOM 0 HB THR A 67 -8.860 -3.645 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.523 -5.073 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.209 -5.557 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.505 -5.045 -8.075 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.014 -6.501 -7.187 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.093 -2.557 -4.010 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.337 -1.692 -2.861 1.00 0.00 C ATOM 1061 C LEU A 68 -8.830 -1.437 -2.679 1.00 0.00 C ATOM 1062 O LEU A 68 -9.525 -1.057 -3.621 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.598 -0.364 -3.031 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.143 0.321 -1.742 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.066 1.827 -1.937 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.083 -0.022 -0.595 1.00 0.00 C ATOM 0 H LEU A 68 -6.449 -2.170 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.962 -2.197 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.722 -0.536 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.247 0.323 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.147 -0.044 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.741 2.298 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.353 2.055 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.049 2.209 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.744 0.474 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.091 0.315 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.088 -1.101 -0.439 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.316 -1.645 -1.460 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.726 -1.435 -1.152 1.00 0.00 C ATOM 1080 C LYS A 69 -11.183 -0.054 -1.611 1.00 0.00 C ATOM 1081 O LYS A 69 -10.423 0.685 -2.238 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.969 -1.591 0.350 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.088 -3.036 0.801 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.927 -3.167 2.306 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.624 -4.601 2.712 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.867 -5.375 2.984 1.00 0.00 N ATOM 0 H LYS A 69 -8.754 -1.959 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.306 -2.187 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.152 -1.116 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.882 -1.059 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.059 -3.432 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.330 -3.638 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.123 -2.514 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.839 -2.833 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.057 -5.091 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.994 -4.601 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.618 -6.347 3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.396 -4.922 3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.457 -5.397 2.128 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.426 0.289 -1.295 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.983 1.582 -1.673 1.00 0.00 C ATOM 1102 C ASP A 70 -12.893 2.572 -0.515 1.00 0.00 C ATOM 1103 O ASP A 70 -12.582 3.747 -0.712 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.440 1.426 -2.113 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.154 2.757 -2.235 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.121 3.350 -3.334 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.746 3.206 -1.232 1.00 0.00 O ATOM 0 H ASP A 70 -13.068 -0.311 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.399 1.971 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.473 0.910 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.968 0.798 -1.395 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.167 2.089 0.692 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.120 2.932 1.881 1.00 0.00 C ATOM 1114 C TYR A 71 -11.686 3.340 2.203 1.00 0.00 C ATOM 1115 O TYR A 71 -11.406 4.508 2.472 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.735 2.200 3.075 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.722 1.453 3.914 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.314 0.171 3.567 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.175 2.029 5.053 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.390 -0.515 4.331 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.249 1.351 5.822 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.860 0.079 5.457 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.939 -0.600 6.221 1.00 0.00 O ATOM 0 H TYR A 71 -13.424 1.119 0.873 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.698 3.834 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.255 2.922 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.484 1.496 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.726 -0.297 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.479 3.024 5.343 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.084 -1.511 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.832 1.814 6.704 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.665 -0.040 6.977 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.780 2.367 2.173 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.374 2.624 2.460 1.00 0.00 C ATOM 1135 C VAL A 72 -8.874 3.852 1.708 1.00 0.00 C ATOM 1136 O VAL A 72 -8.010 4.582 2.194 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.496 1.415 2.087 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.039 1.687 2.430 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.992 0.159 2.789 1.00 0.00 C ATOM 0 H VAL A 72 -10.995 1.394 1.953 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.298 2.803 3.532 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.567 1.255 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.434 0.822 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.692 2.560 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.946 1.875 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.360 -0.685 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.952 0.306 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.020 -0.044 2.488 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.425 4.076 0.519 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.035 5.216 -0.301 1.00 0.00 C ATOM 1151 C PHE A 73 -9.015 6.499 0.525 1.00 0.00 C ATOM 1152 O PHE A 73 -8.195 7.388 0.294 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.994 5.373 -1.483 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.732 4.404 -2.601 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.446 4.209 -3.078 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.771 3.688 -3.173 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.201 3.318 -4.106 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.532 2.796 -4.201 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.245 2.611 -4.669 1.00 0.00 C ATOM 0 H PHE A 73 -10.143 3.483 0.103 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.029 5.032 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.017 5.241 -1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.919 6.390 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.626 4.759 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.779 3.829 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.194 3.175 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.351 2.244 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.056 1.915 -5.473 1.00 0.00 H new ATOM 1169 N LYS A 74 -9.925 6.589 1.489 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.013 7.761 2.352 1.00 0.00 C ATOM 1171 C LYS A 74 -8.868 7.782 3.360 1.00 0.00 C ATOM 1172 O LYS A 74 -8.414 8.848 3.774 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.355 7.779 3.087 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.352 6.979 4.378 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.609 7.231 5.193 1.00 0.00 C ATOM 1176 CE LYS A 74 -12.569 8.591 5.873 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.455 8.639 7.070 1.00 0.00 N ATOM 0 H LYS A 74 -10.613 5.864 1.692 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.937 8.649 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.624 8.812 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.127 7.384 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.273 5.916 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.475 7.243 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.483 7.173 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.719 6.450 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.545 8.819 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.874 9.361 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.400 9.582 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.436 8.447 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.148 7.922 7.758 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.407 6.598 3.749 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.315 6.483 4.709 1.00 0.00 C ATOM 1193 C GLU A 75 -6.001 6.963 4.098 1.00 0.00 C ATOM 1194 O GLU A 75 -5.074 7.345 4.814 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.171 5.034 5.180 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.363 4.533 5.978 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.013 3.362 6.876 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.126 2.569 6.497 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.627 3.237 7.956 1.00 0.00 O ATOM 0 H GLU A 75 -8.772 5.706 3.415 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.550 7.115 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.029 4.391 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.273 4.947 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.757 5.347 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.156 4.236 5.292 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.929 6.940 2.772 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.729 7.372 2.064 1.00 0.00 C ATOM 1208 C LEU A 76 -4.381 8.816 2.412 1.00 0.00 C ATOM 1209 O LEU A 76 -5.240 9.582 2.848 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.927 7.234 0.553 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.044 5.806 0.019 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.661 5.804 -1.370 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.680 5.131 0.000 1.00 0.00 C ATOM 0 H LEU A 76 -6.687 6.627 2.165 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.903 6.733 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.828 7.780 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.091 7.721 0.051 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.698 5.242 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.736 4.779 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.656 6.248 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.034 6.384 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.782 4.116 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.004 5.695 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.276 5.098 1.012 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.118 9.179 2.215 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.658 10.531 2.507 1.00 0.00 C ATOM 1227 C GLN A 77 -2.174 11.228 1.240 1.00 0.00 C ATOM 1228 O GLN A 77 -1.204 10.797 0.615 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.535 10.497 3.545 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.897 9.735 4.809 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.836 9.851 5.886 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -0.526 10.947 6.352 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.273 8.717 6.287 1.00 0.00 N ATOM 0 H GLN A 77 -2.395 8.556 1.855 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.500 11.094 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.651 10.042 3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.267 11.519 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.844 10.110 5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.047 8.684 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.561 7.830 5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.447 8.733 7.009 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.856 12.305 0.865 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.497 13.060 -0.329 1.00 0.00 C ATOM 1244 C ARG A 78 -1.060 13.567 -0.240 1.00 0.00 C ATOM 1245 O ARG A 78 -0.480 13.996 -1.237 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.453 14.238 -0.521 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.838 13.827 -0.995 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.516 14.945 -1.770 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.145 15.922 -0.884 1.00 0.00 N ATOM 1250 CZ ARG A 78 -7.197 15.650 -0.119 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.733 14.438 -0.131 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -7.713 16.592 0.661 1.00 0.00 N ATOM 0 H ARG A 78 -3.661 12.674 1.371 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.577 12.393 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.546 14.777 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.022 14.931 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.760 12.941 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.451 13.554 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.781 15.447 -2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.269 14.521 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.755 16.864 -0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.338 13.712 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.540 14.232 0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.302 17.525 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.521 16.382 1.248 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.493 13.515 0.961 1.00 0.00 N ATOM 1267 CA ASP A 79 0.875 13.968 1.181 1.00 0.00 C ATOM 1268 C ASP A 79 1.836 12.785 1.241 1.00 0.00 C ATOM 1269 O ASP A 79 2.946 12.901 1.760 1.00 0.00 O ATOM 1270 CB ASP A 79 0.964 14.780 2.474 1.00 0.00 C ATOM 1271 CG ASP A 79 0.775 13.923 3.710 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -0.376 13.519 3.981 1.00 0.00 O ATOM 1273 OD2 ASP A 79 1.776 13.656 4.405 1.00 0.00 O ATOM 0 H ASP A 79 -0.960 13.163 1.797 1.00 0.00 H new ATOM 0 HA ASP A 79 1.161 14.603 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.934 15.274 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.207 15.564 2.460 1.00 0.00 H new ATOM 1278 N TRP A 80 1.402 11.649 0.708 1.00 0.00 N ATOM 1279 CA TRP A 80 2.224 10.444 0.702 1.00 0.00 C ATOM 1280 C TRP A 80 3.505 10.662 -0.096 1.00 0.00 C ATOM 1281 O TRP A 80 3.477 10.987 -1.283 1.00 0.00 O ATOM 1282 CB TRP A 80 1.438 9.269 0.118 1.00 0.00 C ATOM 1283 CG TRP A 80 2.177 7.967 0.189 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.673 7.247 -0.861 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.502 7.229 1.373 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.286 6.106 -0.401 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.195 6.072 0.966 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.276 7.434 2.736 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.662 5.126 1.874 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.739 6.494 3.637 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.426 5.352 3.203 1.00 0.00 C ATOM 0 H TRP A 80 0.486 11.537 0.274 1.00 0.00 H new ATOM 0 HA TRP A 80 2.495 10.214 1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.493 9.172 0.652 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.195 9.485 -0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.595 7.532 -1.900 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.736 5.399 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.749 8.312 3.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.192 4.245 1.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.569 6.642 4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.776 4.636 3.932 1.00 0.00 H new ATOM 1302 N PRO A 81 4.655 10.481 0.569 1.00 0.00 N ATOM 1303 CA PRO A 81 5.968 10.653 -0.060 1.00 0.00 C ATOM 1304 C PRO A 81 6.270 9.559 -1.079 1.00 0.00 C ATOM 1305 O PRO A 81 7.309 9.580 -1.738 1.00 0.00 O ATOM 1306 CB PRO A 81 6.941 10.568 1.119 1.00 0.00 C ATOM 1307 CG PRO A 81 6.222 9.763 2.146 1.00 0.00 C ATOM 1308 CD PRO A 81 4.764 10.094 1.986 1.00 0.00 C ATOM 0 HA PRO A 81 6.033 11.587 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.877 10.092 0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.192 11.559 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.398 8.697 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.570 10.009 3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.130 9.239 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.461 10.905 2.648 1.00 0.00 H new ATOM 1316 N GLY A 82 5.355 8.603 -1.203 1.00 0.00 N ATOM 1317 CA GLY A 82 5.542 7.514 -2.144 1.00 0.00 C ATOM 1318 C GLY A 82 5.106 7.880 -3.548 1.00 0.00 C ATOM 1319 O GLY A 82 5.553 7.273 -4.522 1.00 0.00 O ATOM 0 H GLY A 82 4.487 8.563 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.593 7.226 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.977 6.645 -1.806 1.00 0.00 H new ATOM 1323 N TYR A 83 4.231 8.873 -3.654 1.00 0.00 N ATOM 1324 CA TYR A 83 3.731 9.316 -4.950 1.00 0.00 C ATOM 1325 C TYR A 83 4.622 10.408 -5.534 1.00 0.00 C ATOM 1326 O TYR A 83 4.737 11.497 -4.971 1.00 0.00 O ATOM 1327 CB TYR A 83 2.296 9.830 -4.818 1.00 0.00 C ATOM 1328 CG TYR A 83 1.340 8.813 -4.236 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.391 7.480 -4.625 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.385 9.185 -3.298 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.520 6.548 -4.097 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.489 8.259 -2.763 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.418 6.942 -3.166 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.289 6.017 -2.636 1.00 0.00 O ATOM 0 H TYR A 83 3.853 9.387 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 83 3.744 8.462 -5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.294 10.720 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.936 10.134 -5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.125 7.168 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.325 10.216 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.573 5.516 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.224 8.565 -2.033 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.207 5.172 -3.126 1.00 0.00 H new ATOM 1344 N SER A 84 5.250 10.109 -6.666 1.00 0.00 N ATOM 1345 CA SER A 84 6.134 11.062 -7.326 1.00 0.00 C ATOM 1346 C SER A 84 5.330 12.156 -8.022 1.00 0.00 C ATOM 1347 O SER A 84 4.103 12.094 -8.084 1.00 0.00 O ATOM 1348 CB SER A 84 7.027 10.345 -8.340 1.00 0.00 C ATOM 1349 OG SER A 84 7.772 9.310 -7.722 1.00 0.00 O ATOM 0 H SER A 84 5.163 9.213 -7.146 1.00 0.00 H new ATOM 0 HA SER A 84 6.762 11.525 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.414 9.928 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.707 11.061 -8.801 1.00 0.00 H new ATOM 0 HG SER A 84 8.333 8.866 -8.392 1.00 0.00 H new ATOM 1355 N GLU A 85 6.033 13.156 -8.545 1.00 0.00 N ATOM 1356 CA GLU A 85 5.384 14.264 -9.237 1.00 0.00 C ATOM 1357 C GLU A 85 4.226 13.766 -10.096 1.00 0.00 C ATOM 1358 O GLU A 85 3.282 14.507 -10.373 1.00 0.00 O ATOM 1359 CB GLU A 85 6.396 15.012 -10.109 1.00 0.00 C ATOM 1360 CG GLU A 85 5.763 15.752 -11.276 1.00 0.00 C ATOM 1361 CD GLU A 85 6.770 16.568 -12.063 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.929 16.677 -11.612 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.398 17.098 -13.131 1.00 0.00 O ATOM 0 H GLU A 85 7.050 13.222 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 85 4.988 14.947 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.940 15.725 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.127 14.301 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.284 15.033 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.980 16.411 -10.902 1.00 0.00 H new ATOM 1370 N ILE A 86 4.306 12.508 -10.515 1.00 0.00 N ATOM 1371 CA ILE A 86 3.265 11.910 -11.342 1.00 0.00 C ATOM 1372 C ILE A 86 2.234 11.182 -10.486 1.00 0.00 C ATOM 1373 O ILE A 86 1.064 11.563 -10.447 1.00 0.00 O ATOM 1374 CB ILE A 86 3.856 10.923 -12.365 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.838 11.642 -13.292 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.744 10.266 -13.170 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.228 11.777 -12.711 1.00 0.00 C ATOM 0 H ILE A 86 5.081 11.883 -10.295 1.00 0.00 H new ATOM 0 HA ILE A 86 2.779 12.726 -11.877 1.00 0.00 H new ATOM 0 HB ILE A 86 4.397 10.145 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.898 11.099 -14.235 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.450 12.635 -13.520 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.177 9.571 -13.889 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.079 9.724 -12.497 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.178 11.031 -13.701 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.871 12.296 -13.422 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.181 12.346 -11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.636 10.786 -12.509 1.00 0.00 H new ATOM 1389 N ASP A 87 2.676 10.133 -9.801 1.00 0.00 N ATOM 1390 CA ASP A 87 1.793 9.352 -8.943 1.00 0.00 C ATOM 1391 C ASP A 87 0.737 10.243 -8.296 1.00 0.00 C ATOM 1392 O ASP A 87 -0.461 9.973 -8.393 1.00 0.00 O ATOM 1393 CB ASP A 87 2.601 8.632 -7.863 1.00 0.00 C ATOM 1394 CG ASP A 87 3.502 7.555 -8.436 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.519 7.907 -9.070 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.190 6.360 -8.251 1.00 0.00 O ATOM 0 H ASP A 87 3.641 9.804 -9.823 1.00 0.00 H new ATOM 0 HA ASP A 87 1.288 8.611 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.207 9.359 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.919 8.184 -7.140 1.00 0.00 H new ATOM 1401 N ARG A 88 1.189 11.304 -7.636 1.00 0.00 N ATOM 1402 CA ARG A 88 0.283 12.233 -6.971 1.00 0.00 C ATOM 1403 C ARG A 88 -0.881 12.604 -7.884 1.00 0.00 C ATOM 1404 O ARG A 88 -2.046 12.470 -7.508 1.00 0.00 O ATOM 1405 CB ARG A 88 1.035 13.495 -6.546 1.00 0.00 C ATOM 1406 CG ARG A 88 1.976 13.278 -5.372 1.00 0.00 C ATOM 1407 CD ARG A 88 2.857 14.494 -5.131 1.00 0.00 C ATOM 1408 NE ARG A 88 2.144 15.554 -4.424 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.698 16.713 -4.085 1.00 0.00 C ATOM 1410 NH1 ARG A 88 3.966 16.959 -4.388 1.00 0.00 N ATOM 1411 NH2 ARG A 88 1.984 17.629 -3.444 1.00 0.00 N ATOM 0 H ARG A 88 2.177 11.542 -7.547 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.116 11.741 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.607 13.870 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.312 14.267 -6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.396 13.064 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.602 12.406 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.733 14.198 -4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.219 14.875 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 88 1.167 15.396 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.518 16.258 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.389 17.850 -4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.008 17.444 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.411 18.518 -3.184 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.558 13.073 -9.085 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.577 13.465 -10.051 1.00 0.00 C ATOM 1427 C ARG A 89 -2.319 12.244 -10.586 1.00 0.00 C ATOM 1428 O ARG A 89 -3.439 12.354 -11.085 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.942 14.238 -11.209 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.174 13.356 -12.180 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.159 13.950 -13.580 1.00 0.00 C ATOM 1432 NE ARG A 89 0.296 15.337 -13.581 1.00 0.00 N ATOM 1433 CZ ARG A 89 0.012 16.203 -14.548 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.723 15.826 -15.585 1.00 0.00 N ATOM 1435 NH2 ARG A 89 0.462 17.449 -14.477 1.00 0.00 N ATOM 0 H ARG A 89 0.401 13.191 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.294 14.110 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.724 14.768 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.267 14.992 -10.805 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.849 13.229 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.627 12.365 -12.209 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.492 13.354 -14.219 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.160 13.897 -14.007 1.00 0.00 H new ATOM 0 HE ARG A 89 0.863 15.659 -12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.072 14.869 -15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.940 16.493 -16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.026 17.743 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.244 18.113 -15.220 1.00 0.00 H new ATOM 1449 N SER A 90 -1.686 11.080 -10.480 1.00 0.00 N ATOM 1450 CA SER A 90 -2.283 9.838 -10.957 1.00 0.00 C ATOM 1451 C SER A 90 -3.221 9.249 -9.908 1.00 0.00 C ATOM 1452 O SER A 90 -4.091 8.435 -10.223 1.00 0.00 O ATOM 1453 CB SER A 90 -1.192 8.825 -11.309 1.00 0.00 C ATOM 1454 OG SER A 90 -0.796 8.952 -12.663 1.00 0.00 O ATOM 0 H SER A 90 -0.759 10.971 -10.068 1.00 0.00 H new ATOM 0 HA SER A 90 -2.862 10.062 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.330 8.974 -10.659 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.557 7.814 -11.127 1.00 0.00 H new ATOM 0 HG SER A 90 -0.097 8.295 -12.862 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.039 9.665 -8.660 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.869 9.179 -7.563 1.00 0.00 C ATOM 1462 C LEU A 91 -5.070 10.094 -7.342 1.00 0.00 C ATOM 1463 O LEU A 91 -6.193 9.625 -7.164 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.044 9.082 -6.278 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.809 9.296 -4.972 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.171 8.501 -3.843 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.862 10.776 -4.621 1.00 0.00 C ATOM 0 H LEU A 91 -2.324 10.338 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.235 8.187 -7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.575 8.099 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.240 9.817 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.830 8.939 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.729 8.666 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.186 7.440 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.140 8.827 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.410 10.909 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.848 11.159 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.366 11.321 -5.419 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.823 11.400 -7.357 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.885 12.380 -7.160 1.00 0.00 C ATOM 1481 C GLU A 92 -7.109 12.033 -8.003 1.00 0.00 C ATOM 1482 O GLU A 92 -8.231 12.419 -7.676 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.388 13.782 -7.515 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.109 13.972 -8.997 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.717 15.396 -9.339 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.887 15.975 -8.607 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.241 15.932 -10.338 1.00 0.00 O ATOM 0 H GLU A 92 -3.898 11.804 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.172 12.360 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.131 14.513 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.477 13.989 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.310 13.296 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.995 13.696 -9.568 1.00 0.00 H new ATOM 1494 N SER A 93 -6.883 11.303 -9.090 1.00 0.00 N ATOM 1495 CA SER A 93 -7.965 10.907 -9.984 1.00 0.00 C ATOM 1496 C SER A 93 -8.808 9.799 -9.359 1.00 0.00 C ATOM 1497 O SER A 93 -10.017 9.949 -9.180 1.00 0.00 O ATOM 1498 CB SER A 93 -7.401 10.439 -11.327 1.00 0.00 C ATOM 1499 OG SER A 93 -8.421 10.359 -12.308 1.00 0.00 O ATOM 0 H SER A 93 -5.960 10.974 -9.373 1.00 0.00 H new ATOM 0 HA SER A 93 -8.603 11.776 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.625 11.129 -11.660 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.930 9.463 -11.207 1.00 0.00 H new ATOM 0 HG SER A 93 -8.035 10.059 -13.158 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.160 8.686 -9.029 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.848 7.552 -8.424 1.00 0.00 C ATOM 1507 C VAL A 94 -9.795 8.010 -7.320 1.00 0.00 C ATOM 1508 O VAL A 94 -10.967 7.630 -7.296 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.848 6.537 -7.839 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.579 5.463 -7.047 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.010 5.916 -8.946 1.00 0.00 C ATOM 0 H VAL A 94 -7.160 8.546 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.423 7.070 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.178 7.064 -7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.856 4.755 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.131 5.926 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.274 4.937 -7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.309 5.201 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.663 5.403 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.457 6.698 -9.466 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.281 8.827 -6.408 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.081 9.338 -5.300 1.00 0.00 C ATOM 1523 C LEU A 95 -11.258 10.162 -5.814 1.00 0.00 C ATOM 1524 O LEU A 95 -12.332 10.170 -5.212 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.216 10.189 -4.370 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.960 9.514 -3.818 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -7.065 10.533 -3.128 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.334 8.394 -2.858 1.00 0.00 C ATOM 0 H LEU A 95 -8.314 9.150 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.472 8.486 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.915 11.088 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.830 10.512 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.408 9.081 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.176 10.034 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.768 11.300 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.608 10.996 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.428 7.925 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.909 8.803 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.933 7.650 -3.383 1.00 0.00 H new ATOM 1540 N SER A 96 -11.049 10.851 -6.930 1.00 0.00 N ATOM 1541 CA SER A 96 -12.092 11.679 -7.524 1.00 0.00 C ATOM 1542 C SER A 96 -13.233 10.818 -8.055 1.00 0.00 C ATOM 1543 O SER A 96 -14.400 11.205 -7.991 1.00 0.00 O ATOM 1544 CB SER A 96 -11.513 12.532 -8.655 1.00 0.00 C ATOM 1545 OG SER A 96 -12.246 13.736 -8.812 1.00 0.00 O ATOM 0 H SER A 96 -10.167 10.853 -7.442 1.00 0.00 H new ATOM 0 HA SER A 96 -12.486 12.335 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.469 12.763 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.531 11.967 -9.587 1.00 0.00 H new ATOM 0 HG SER A 96 -11.856 14.264 -9.539 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.888 9.646 -8.580 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.882 8.729 -9.123 1.00 0.00 C ATOM 1553 C ARG A 97 -14.541 7.920 -8.010 1.00 0.00 C ATOM 1554 O ARG A 97 -15.738 7.636 -8.059 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.236 7.786 -10.140 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.274 8.482 -11.089 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.180 7.752 -12.420 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.288 8.090 -13.309 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.314 9.179 -14.069 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.298 10.031 -14.049 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.359 9.418 -14.852 1.00 0.00 N ATOM 0 H ARG A 97 -11.927 9.310 -8.640 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.650 9.320 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.702 7.000 -9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -14.020 7.300 -10.722 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.605 9.507 -11.257 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.286 8.537 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.237 8.003 -12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.172 6.676 -12.244 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.085 7.455 -13.349 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.493 9.851 -13.449 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.321 10.866 -14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.143 8.765 -14.870 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.378 10.254 -15.435 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.752 7.550 -7.007 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.257 6.774 -5.881 1.00 0.00 C ATOM 1577 C LYS A 98 -15.029 7.663 -4.911 1.00 0.00 C ATOM 1578 O LYS A 98 -16.249 7.551 -4.787 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.101 6.086 -5.151 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.302 5.141 -6.031 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.052 3.843 -6.279 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.458 3.071 -7.447 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.397 2.037 -7.964 1.00 0.00 N ATOM 0 H LYS A 98 -12.759 7.776 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.936 6.015 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.432 6.847 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.498 5.530 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.085 5.625 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.344 4.924 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.021 3.226 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.101 4.060 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.204 3.764 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.530 2.594 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.955 1.533 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.620 1.360 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.273 2.494 -8.288 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.311 8.546 -4.226 1.00 0.00 N ATOM 1598 CA LEU A 99 -14.929 9.455 -3.267 1.00 0.00 C ATOM 1599 C LEU A 99 -15.834 10.459 -3.974 1.00 0.00 C ATOM 1600 O LEU A 99 -15.360 11.435 -4.554 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.853 10.195 -2.469 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.722 9.332 -1.908 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.585 10.207 -1.402 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.239 8.431 -0.797 1.00 0.00 C ATOM 0 H LEU A 99 -13.301 8.652 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.538 8.863 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.416 10.960 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.335 10.712 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.339 8.701 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.789 9.576 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.196 10.810 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.954 10.863 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.420 7.824 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.649 9.043 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.019 7.779 -1.190 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.139 10.213 -3.919 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.111 11.096 -4.553 1.00 0.00 C ATOM 1618 C ASN A 100 -18.790 11.989 -3.519 1.00 0.00 C ATOM 1619 O ASN A 100 -19.682 11.548 -2.794 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.162 10.277 -5.304 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.137 11.150 -6.070 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.892 11.922 -5.479 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.125 11.032 -7.392 1.00 0.00 N ATOM 0 H ASN A 100 -17.548 9.409 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.579 11.730 -5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.663 9.599 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.712 9.659 -4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.759 11.594 -7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.482 10.379 -7.840 1.00 0.00 H new