USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=20 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= -10! C(o=-8.9!,f=-12!) USER MOD Set 1.2: A 83 TYR OH : rot -11:sc= 1.1 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.0076) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.687! C(o=-0.69!,f=-0.86!) USER MOD Single : A 14 TYR OH : rot 130:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc=0.000599 (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+ -123:sc= -4.76! (180deg=-8.01!) USER MOD Single : A 37 GLN : amide:sc= -3.44 K(o=-3.4,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.378) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc=-0.000235 (180deg=-0.116) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -33:sc= 1.06 USER MOD Single : A 54 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.7!) USER MOD Single : A 55 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.5!) USER MOD Single : A 60 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.7!) 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 150:sc= -2.22! USER MOD Single : A 67 THR OG1 : rot 18:sc= 0.383 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= 0.00316 X(o=0.0032,f=-0.32) 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+ -177:sc= 0 (180deg=-0.00424) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.958 4.368 5.777 1.00 0.00 N ATOM 100 CA SER A 10 10.064 3.417 6.877 1.00 0.00 C ATOM 101 C SER A 10 9.270 3.896 8.088 1.00 0.00 C ATOM 102 O SER A 10 8.536 3.125 8.706 1.00 0.00 O ATOM 103 CB SER A 10 11.530 3.213 7.262 1.00 0.00 C ATOM 104 OG SER A 10 11.720 1.963 7.903 1.00 0.00 O ATOM 0 HA SER A 10 9.647 2.466 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.154 3.266 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.851 4.017 7.924 1.00 0.00 H new ATOM 0 HG SER A 10 12.665 1.856 8.137 1.00 0.00 H new ATOM 110 N GLN A 11 9.422 5.173 8.420 1.00 0.00 N ATOM 111 CA GLN A 11 8.720 5.756 9.558 1.00 0.00 C ATOM 112 C GLN A 11 7.218 5.518 9.450 1.00 0.00 C ATOM 113 O GLN A 11 6.529 5.365 10.459 1.00 0.00 O ATOM 114 CB GLN A 11 9.006 7.256 9.648 1.00 0.00 C ATOM 115 CG GLN A 11 10.337 7.583 10.305 1.00 0.00 C ATOM 116 CD GLN A 11 10.627 6.703 11.505 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.788 6.548 12.393 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.820 6.121 11.538 1.00 0.00 N ATOM 0 H GLN A 11 10.025 5.825 7.918 1.00 0.00 H new ATOM 0 HA GLN A 11 9.082 5.270 10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.992 7.681 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.205 7.737 10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.137 7.468 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.337 8.628 10.617 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.485 6.277 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.072 5.518 12.321 1.00 0.00 H new ATOM 127 N ARG A 12 6.715 5.489 8.220 1.00 0.00 N ATOM 128 CA ARG A 12 5.294 5.272 7.980 1.00 0.00 C ATOM 129 C ARG A 12 4.907 3.825 8.275 1.00 0.00 C ATOM 130 O ARG A 12 5.719 2.906 8.168 1.00 0.00 O ATOM 131 CB ARG A 12 4.939 5.620 6.533 1.00 0.00 C ATOM 132 CG ARG A 12 5.386 7.011 6.115 1.00 0.00 C ATOM 133 CD ARG A 12 4.354 8.064 6.487 1.00 0.00 C ATOM 134 NE ARG A 12 4.587 9.329 5.796 1.00 0.00 N ATOM 135 CZ ARG A 12 5.580 10.158 6.097 1.00 0.00 C ATOM 136 NH1 ARG A 12 6.427 9.857 7.072 1.00 0.00 N ATOM 137 NH2 ARG A 12 5.728 11.291 5.422 1.00 0.00 N ATOM 0 H ARG A 12 7.271 5.613 7.374 1.00 0.00 H new ATOM 0 HA ARG A 12 4.735 5.924 8.651 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.395 4.886 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.860 5.540 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.337 7.247 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.556 7.031 5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.357 7.696 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.378 8.230 7.564 1.00 0.00 H new ATOM 0 HE ARG A 12 3.953 9.590 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.317 8.987 7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.189 10.496 7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.079 11.526 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.491 11.927 5.654 1.00 0.00 H new ATOM 151 N PRO A 13 3.639 3.617 8.658 1.00 0.00 N ATOM 152 CA PRO A 13 3.116 2.286 8.977 1.00 0.00 C ATOM 153 C PRO A 13 2.991 1.401 7.741 1.00 0.00 C ATOM 154 O PRO A 13 2.629 1.871 6.662 1.00 0.00 O ATOM 155 CB PRO A 13 1.734 2.579 9.565 1.00 0.00 C ATOM 156 CG PRO A 13 1.341 3.889 8.976 1.00 0.00 C ATOM 157 CD PRO A 13 2.616 4.667 8.808 1.00 0.00 C ATOM 0 HA PRO A 13 3.775 1.741 9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.020 1.798 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.769 2.629 10.653 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.839 3.751 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.645 4.417 9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.577 5.318 7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.816 5.302 9.671 1.00 0.00 H new ATOM 165 N TYR A 14 3.294 0.118 7.905 1.00 0.00 N ATOM 166 CA TYR A 14 3.218 -0.833 6.802 1.00 0.00 C ATOM 167 C TYR A 14 1.899 -0.688 6.048 1.00 0.00 C ATOM 168 O TYR A 14 1.880 -0.316 4.874 1.00 0.00 O ATOM 169 CB TYR A 14 3.366 -2.263 7.323 1.00 0.00 C ATOM 170 CG TYR A 14 3.865 -3.238 6.280 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.054 -3.008 5.598 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.148 -4.389 5.977 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.513 -3.896 4.644 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.601 -5.283 5.026 1.00 0.00 C ATOM 175 CZ TYR A 14 4.784 -5.032 4.362 1.00 0.00 C ATOM 176 OH TYR A 14 5.237 -5.919 3.413 1.00 0.00 O ATOM 0 H TYR A 14 3.595 -0.288 8.791 1.00 0.00 H new ATOM 0 HA TYR A 14 4.035 -0.618 6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.055 -2.264 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.402 -2.606 7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.629 -2.120 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.221 -4.588 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.438 -3.701 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.032 -6.174 4.804 1.00 0.00 H new ATOM 0 HH TYR A 14 5.227 -6.827 3.783 1.00 0.00 H new ATOM 186 N ARG A 15 0.799 -0.984 6.732 1.00 0.00 N ATOM 187 CA ARG A 15 -0.525 -0.887 6.128 1.00 0.00 C ATOM 188 C ARG A 15 -0.581 0.258 5.121 1.00 0.00 C ATOM 189 O ARG A 15 -1.024 0.078 3.986 1.00 0.00 O ATOM 190 CB ARG A 15 -1.588 -0.683 7.209 1.00 0.00 C ATOM 191 CG ARG A 15 -2.823 0.054 6.717 1.00 0.00 C ATOM 192 CD ARG A 15 -4.003 -0.148 7.654 1.00 0.00 C ATOM 193 NE ARG A 15 -4.321 -1.562 7.837 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.376 -1.996 8.517 1.00 0.00 C ATOM 195 NH1 ARG A 15 -6.211 -1.130 9.075 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.599 -3.298 8.639 1.00 0.00 N ATOM 0 H ARG A 15 0.798 -1.293 7.704 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.726 -1.820 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.887 -1.655 7.600 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.149 -0.127 8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.603 1.118 6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.085 -0.298 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.779 0.301 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.875 0.371 7.256 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.699 -2.254 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.044 -0.128 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.021 -1.466 9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.960 -3.967 8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.410 -3.630 9.162 1.00 0.00 H new ATOM 210 N ASP A 16 -0.130 1.433 5.544 1.00 0.00 N ATOM 211 CA ASP A 16 -0.128 2.608 4.680 1.00 0.00 C ATOM 212 C ASP A 16 0.691 2.353 3.418 1.00 0.00 C ATOM 213 O ASP A 16 0.174 2.437 2.304 1.00 0.00 O ATOM 214 CB ASP A 16 0.430 3.818 5.429 1.00 0.00 C ATOM 215 CG ASP A 16 -0.610 4.485 6.309 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.762 4.003 6.336 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.272 5.489 6.970 1.00 0.00 O ATOM 0 H ASP A 16 0.239 1.598 6.480 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.158 2.815 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.274 3.504 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.812 4.543 4.710 1.00 0.00 H new ATOM 222 N ARG A 17 1.969 2.042 3.602 1.00 0.00 N ATOM 223 CA ARG A 17 2.860 1.777 2.479 1.00 0.00 C ATOM 224 C ARG A 17 2.234 0.776 1.512 1.00 0.00 C ATOM 225 O ARG A 17 2.513 0.797 0.314 1.00 0.00 O ATOM 226 CB ARG A 17 4.204 1.246 2.981 1.00 0.00 C ATOM 227 CG ARG A 17 4.896 2.172 3.967 1.00 0.00 C ATOM 228 CD ARG A 17 5.811 1.403 4.907 1.00 0.00 C ATOM 229 NE ARG A 17 7.155 1.248 4.357 1.00 0.00 N ATOM 230 CZ ARG A 17 8.181 0.765 5.048 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.017 0.392 6.310 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.374 0.654 4.478 1.00 0.00 N ATOM 0 H ARG A 17 2.411 1.967 4.518 1.00 0.00 H new ATOM 0 HA ARG A 17 3.023 2.715 1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.048 0.277 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.862 1.082 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.476 2.917 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.148 2.712 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.868 1.923 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.384 0.420 5.104 1.00 0.00 H new ATOM 0 HE ARG A 17 7.314 1.526 3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.101 0.476 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.806 0.021 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.504 0.940 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.161 0.283 5.010 1.00 0.00 H new ATOM 246 N VAL A 18 1.387 -0.100 2.043 1.00 0.00 N ATOM 247 CA VAL A 18 0.720 -1.109 1.228 1.00 0.00 C ATOM 248 C VAL A 18 -0.420 -0.498 0.421 1.00 0.00 C ATOM 249 O VAL A 18 -0.400 -0.512 -0.810 1.00 0.00 O ATOM 250 CB VAL A 18 0.165 -2.254 2.095 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.765 -3.139 1.280 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.303 -3.069 2.692 1.00 0.00 C ATOM 0 H VAL A 18 1.146 -0.131 3.034 1.00 0.00 H new ATOM 0 HA VAL A 18 1.469 -1.511 0.546 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.410 -1.821 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.147 -3.942 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.598 -2.544 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.217 -3.566 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.893 -3.874 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.907 -3.493 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.925 -2.425 3.313 1.00 0.00 H new ATOM 262 N ILE A 19 -1.413 0.038 1.123 1.00 0.00 N ATOM 263 CA ILE A 19 -2.561 0.655 0.472 1.00 0.00 C ATOM 264 C ILE A 19 -2.121 1.722 -0.524 1.00 0.00 C ATOM 265 O ILE A 19 -2.614 1.777 -1.651 1.00 0.00 O ATOM 266 CB ILE A 19 -3.516 1.292 1.499 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.781 2.350 2.324 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.108 0.223 2.406 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.633 2.969 3.411 1.00 0.00 C ATOM 0 H ILE A 19 -1.445 0.057 2.142 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.087 -0.139 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.331 1.778 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.900 1.897 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.428 3.137 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.781 0.689 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.662 -0.498 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.305 -0.289 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.047 3.710 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.501 3.451 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.965 2.192 4.100 1.00 0.00 H new ATOM 281 N HIS A 20 -1.187 2.569 -0.102 1.00 0.00 N ATOM 282 CA HIS A 20 -0.677 3.634 -0.959 1.00 0.00 C ATOM 283 C HIS A 20 -0.203 3.074 -2.297 1.00 0.00 C ATOM 284 O HIS A 20 -0.232 3.766 -3.316 1.00 0.00 O ATOM 285 CB HIS A 20 0.471 4.369 -0.266 1.00 0.00 C ATOM 286 CG HIS A 20 0.013 5.395 0.725 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.087 5.211 2.089 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.527 6.623 0.542 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.388 6.280 2.703 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.767 7.152 1.786 1.00 0.00 N ATOM 0 H HIS A 20 -0.768 2.539 0.828 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.489 4.337 -1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.103 3.641 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.089 4.855 -1.021 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.452 4.379 2.552 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.731 7.098 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.455 6.417 3.772 1.00 0.00 H new ATOM 298 N LEU A 21 0.233 1.820 -2.288 1.00 0.00 N ATOM 299 CA LEU A 21 0.713 1.167 -3.501 1.00 0.00 C ATOM 300 C LEU A 21 -0.442 0.545 -4.279 1.00 0.00 C ATOM 301 O LEU A 21 -0.508 0.653 -5.504 1.00 0.00 O ATOM 302 CB LEU A 21 1.745 0.093 -3.151 1.00 0.00 C ATOM 303 CG LEU A 21 3.103 0.600 -2.665 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.936 -0.548 -2.115 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.844 1.306 -3.791 1.00 0.00 C ATOM 0 H LEU A 21 0.264 1.234 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 21 1.183 1.923 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.323 -0.551 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.906 -0.529 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 21 2.934 1.318 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.899 -0.168 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.411 -1.010 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.095 -1.290 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.808 1.660 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.001 0.610 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.254 2.154 -4.139 1.00 0.00 H new ATOM 317 N LEU A 22 -1.351 -0.104 -3.560 1.00 0.00 N ATOM 318 CA LEU A 22 -2.506 -0.741 -4.182 1.00 0.00 C ATOM 319 C LEU A 22 -3.421 0.296 -4.825 1.00 0.00 C ATOM 320 O LEU A 22 -4.065 0.028 -5.838 1.00 0.00 O ATOM 321 CB LEU A 22 -3.285 -1.553 -3.146 1.00 0.00 C ATOM 322 CG LEU A 22 -2.567 -2.776 -2.574 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.267 -3.265 -1.315 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.496 -3.887 -3.611 1.00 0.00 C ATOM 0 H LEU A 22 -1.310 -0.203 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.143 -1.411 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.549 -0.893 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.219 -1.884 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.550 -2.486 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.742 -4.136 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.266 -2.472 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.295 -3.538 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.982 -4.749 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.505 -4.175 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.950 -3.534 -4.486 1.00 0.00 H new ATOM 336 N ALA A 23 -3.470 1.483 -4.229 1.00 0.00 N ATOM 337 CA ALA A 23 -4.302 2.563 -4.745 1.00 0.00 C ATOM 338 C ALA A 23 -4.043 2.794 -6.230 1.00 0.00 C ATOM 339 O ALA A 23 -4.896 2.507 -7.071 1.00 0.00 O ATOM 340 CB ALA A 23 -4.055 3.842 -3.959 1.00 0.00 C ATOM 0 H ALA A 23 -2.943 1.721 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.346 2.273 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.683 4.640 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.298 3.677 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.007 4.127 -4.048 1.00 0.00 H new ATOM 346 N LEU A 24 -2.863 3.314 -6.546 1.00 0.00 N ATOM 347 CA LEU A 24 -2.491 3.584 -7.931 1.00 0.00 C ATOM 348 C LEU A 24 -3.017 2.493 -8.858 1.00 0.00 C ATOM 349 O LEU A 24 -3.542 2.778 -9.935 1.00 0.00 O ATOM 350 CB LEU A 24 -0.971 3.691 -8.060 1.00 0.00 C ATOM 351 CG LEU A 24 -0.330 4.933 -7.440 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.119 5.064 -7.884 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.118 6.181 -7.810 1.00 0.00 C ATOM 0 H LEU A 24 -2.146 3.557 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.941 4.532 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.525 2.809 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.714 3.664 -9.119 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.348 4.825 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.559 5.953 -7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.677 4.183 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.161 5.150 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.647 7.055 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.132 6.294 -8.894 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.140 6.089 -7.441 1.00 0.00 H new ATOM 365 N LYS A 25 -2.873 1.243 -8.432 1.00 0.00 N ATOM 366 CA LYS A 25 -3.336 0.108 -9.222 1.00 0.00 C ATOM 367 C LYS A 25 -3.274 -1.182 -8.409 1.00 0.00 C ATOM 368 O LYS A 25 -2.671 -1.223 -7.338 1.00 0.00 O ATOM 369 CB LYS A 25 -2.492 -0.035 -10.491 1.00 0.00 C ATOM 370 CG LYS A 25 -1.099 -0.584 -10.236 1.00 0.00 C ATOM 371 CD LYS A 25 -0.539 -1.276 -11.467 1.00 0.00 C ATOM 372 CE LYS A 25 0.556 -2.266 -11.100 1.00 0.00 C ATOM 373 NZ LYS A 25 0.993 -3.070 -12.275 1.00 0.00 N ATOM 0 H LYS A 25 -2.439 0.990 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.373 0.291 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.010 -0.692 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.407 0.939 -10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.435 0.228 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.131 -1.288 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.341 -1.797 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.141 -0.530 -12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.410 -1.727 -10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.195 -2.933 -10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.483 -3.926 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.162 -3.341 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.639 -2.505 -12.862 1.00 0.00 H new ATOM 387 N ALA A 26 -3.901 -2.233 -8.927 1.00 0.00 N ATOM 388 CA ALA A 26 -3.913 -3.524 -8.251 1.00 0.00 C ATOM 389 C ALA A 26 -2.530 -4.165 -8.266 1.00 0.00 C ATOM 390 O ALA A 26 -1.846 -4.165 -9.290 1.00 0.00 O ATOM 391 CB ALA A 26 -4.933 -4.449 -8.899 1.00 0.00 C ATOM 0 H ALA A 26 -4.407 -2.216 -9.812 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.196 -3.359 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.932 -5.410 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.925 -4.002 -8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.674 -4.599 -9.947 1.00 0.00 H new ATOM 397 N TYR A 27 -2.123 -4.710 -7.125 1.00 0.00 N ATOM 398 CA TYR A 27 -0.819 -5.351 -7.007 1.00 0.00 C ATOM 399 C TYR A 27 -0.961 -6.784 -6.502 1.00 0.00 C ATOM 400 O TYR A 27 -1.919 -7.118 -5.805 1.00 0.00 O ATOM 401 CB TYR A 27 0.082 -4.553 -6.062 1.00 0.00 C ATOM 402 CG TYR A 27 0.900 -3.491 -6.760 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.337 -2.268 -7.107 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.237 -3.708 -7.071 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.081 -1.295 -7.745 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.989 -2.740 -7.708 1.00 0.00 C ATOM 407 CZ TYR A 27 2.406 -1.536 -8.044 1.00 0.00 C ATOM 408 OH TYR A 27 3.151 -0.568 -8.678 1.00 0.00 O ATOM 0 H TYR A 27 -2.677 -4.721 -6.269 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.364 -5.376 -7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.535 -4.081 -5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.755 -5.240 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.700 -2.076 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.696 -4.650 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.628 -0.351 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.027 -2.925 -7.942 1.00 0.00 H new ATOM 0 HH TYR A 27 4.064 -0.895 -8.815 1.00 0.00 H new ATOM 418 N LYS A 28 0.001 -7.628 -6.859 1.00 0.00 N ATOM 419 CA LYS A 28 -0.012 -9.025 -6.443 1.00 0.00 C ATOM 420 C LYS A 28 0.829 -9.227 -5.187 1.00 0.00 C ATOM 421 O LYS A 28 1.802 -8.508 -4.956 1.00 0.00 O ATOM 422 CB LYS A 28 0.511 -9.919 -7.569 1.00 0.00 C ATOM 423 CG LYS A 28 -0.304 -9.827 -8.848 1.00 0.00 C ATOM 424 CD LYS A 28 0.244 -8.763 -9.783 1.00 0.00 C ATOM 425 CE LYS A 28 -0.822 -8.264 -10.746 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.226 -7.685 -11.982 1.00 0.00 N ATOM 0 H LYS A 28 0.801 -7.368 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.042 -9.301 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.544 -9.648 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.518 -10.954 -7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.301 -10.793 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.341 -9.599 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.628 -7.927 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.083 -9.170 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.484 -9.088 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.435 -7.511 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.985 -7.356 -12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.386 -6.883 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.338 -8.411 -12.468 1.00 0.00 H new ATOM 440 N LYS A 29 0.450 -10.210 -4.378 1.00 0.00 N ATOM 441 CA LYS A 29 1.170 -10.509 -3.146 1.00 0.00 C ATOM 442 C LYS A 29 2.672 -10.320 -3.334 1.00 0.00 C ATOM 443 O LYS A 29 3.326 -9.578 -2.601 1.00 0.00 O ATOM 444 CB LYS A 29 0.879 -11.942 -2.695 1.00 0.00 C ATOM 445 CG LYS A 29 1.913 -12.499 -1.732 1.00 0.00 C ATOM 446 CD LYS A 29 1.505 -12.277 -0.286 1.00 0.00 C ATOM 447 CE LYS A 29 2.032 -10.953 0.245 1.00 0.00 C ATOM 448 NZ LYS A 29 2.288 -11.006 1.711 1.00 0.00 N ATOM 0 H LYS A 29 -0.353 -10.814 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 29 0.827 -9.816 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.101 -11.972 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.828 -12.587 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.044 -13.566 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.876 -12.024 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.418 -12.295 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.883 -13.093 0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.954 -10.694 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.312 -10.163 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.740 -10.261 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.002 -11.935 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.302 -10.859 1.892 1.00 0.00 H new ATOM 462 N PRO A 30 3.234 -11.004 -4.342 1.00 0.00 N ATOM 463 CA PRO A 30 4.665 -10.926 -4.651 1.00 0.00 C ATOM 464 C PRO A 30 5.061 -9.569 -5.223 1.00 0.00 C ATOM 465 O PRO A 30 6.009 -8.941 -4.753 1.00 0.00 O ATOM 466 CB PRO A 30 4.862 -12.025 -5.698 1.00 0.00 C ATOM 467 CG PRO A 30 3.525 -12.185 -6.336 1.00 0.00 C ATOM 468 CD PRO A 30 2.516 -11.907 -5.257 1.00 0.00 C ATOM 0 HA PRO A 30 5.282 -11.051 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.619 -11.743 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.195 -12.955 -5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.405 -11.493 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.401 -13.191 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.617 -11.440 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.203 -12.822 -4.755 1.00 0.00 H new ATOM 476 N GLU A 31 4.328 -9.123 -6.239 1.00 0.00 N ATOM 477 CA GLU A 31 4.605 -7.840 -6.873 1.00 0.00 C ATOM 478 C GLU A 31 4.642 -6.718 -5.840 1.00 0.00 C ATOM 479 O GLU A 31 5.683 -6.101 -5.613 1.00 0.00 O ATOM 480 CB GLU A 31 3.548 -7.534 -7.937 1.00 0.00 C ATOM 481 CG GLU A 31 3.955 -6.430 -8.899 1.00 0.00 C ATOM 482 CD GLU A 31 3.106 -6.409 -10.155 1.00 0.00 C ATOM 483 OE1 GLU A 31 3.252 -7.330 -10.986 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.295 -5.471 -10.307 1.00 0.00 O ATOM 0 H GLU A 31 3.539 -9.631 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 31 5.583 -7.903 -7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.343 -8.442 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.619 -7.250 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.876 -5.467 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.002 -6.561 -9.174 1.00 0.00 H new ATOM 491 N LEU A 32 3.498 -6.459 -5.215 1.00 0.00 N ATOM 492 CA LEU A 32 3.398 -5.411 -4.205 1.00 0.00 C ATOM 493 C LEU A 32 4.668 -5.343 -3.364 1.00 0.00 C ATOM 494 O LEU A 32 5.218 -4.264 -3.137 1.00 0.00 O ATOM 495 CB LEU A 32 2.188 -5.659 -3.303 1.00 0.00 C ATOM 496 CG LEU A 32 1.524 -4.414 -2.713 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.511 -4.804 -1.648 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.573 -3.475 -2.135 1.00 0.00 C ATOM 0 H LEU A 32 2.627 -6.960 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 32 3.272 -4.457 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.440 -6.209 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.499 -6.304 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 32 0.998 -3.892 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.049 -3.906 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.257 -5.438 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.014 -5.348 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.083 -2.594 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.126 -3.988 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.262 -3.169 -2.923 1.00 0.00 H new ATOM 510 N LEU A 33 5.131 -6.500 -2.905 1.00 0.00 N ATOM 511 CA LEU A 33 6.338 -6.573 -2.090 1.00 0.00 C ATOM 512 C LEU A 33 7.516 -5.914 -2.802 1.00 0.00 C ATOM 513 O LEU A 33 8.128 -4.983 -2.279 1.00 0.00 O ATOM 514 CB LEU A 33 6.673 -8.030 -1.768 1.00 0.00 C ATOM 515 CG LEU A 33 5.990 -8.619 -0.533 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.037 -10.139 -0.571 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.642 -8.095 0.738 1.00 0.00 C ATOM 0 H LEU A 33 4.688 -7.401 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 33 6.152 -6.036 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.409 -8.642 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.752 -8.113 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 33 4.945 -8.308 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.546 -10.540 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.523 -10.497 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.075 -10.470 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.143 -8.525 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.695 -8.375 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.555 -7.009 0.770 1.00 0.00 H new ATOM 529 N ALA A 34 7.826 -6.402 -3.998 1.00 0.00 N ATOM 530 CA ALA A 34 8.926 -5.858 -4.784 1.00 0.00 C ATOM 531 C ALA A 34 9.057 -4.353 -4.576 1.00 0.00 C ATOM 532 O ALA A 34 10.165 -3.822 -4.494 1.00 0.00 O ATOM 533 CB ALA A 34 8.729 -6.174 -6.259 1.00 0.00 C ATOM 0 H ALA A 34 7.330 -7.174 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 34 9.849 -6.327 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.558 -5.761 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.693 -7.255 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.794 -5.733 -6.604 1.00 0.00 H new ATOM 539 N ARG A 35 7.920 -3.670 -4.492 1.00 0.00 N ATOM 540 CA ARG A 35 7.908 -2.226 -4.296 1.00 0.00 C ATOM 541 C ARG A 35 8.352 -1.866 -2.881 1.00 0.00 C ATOM 542 O ARG A 35 9.154 -0.952 -2.684 1.00 0.00 O ATOM 543 CB ARG A 35 6.510 -1.665 -4.563 1.00 0.00 C ATOM 544 CG ARG A 35 6.251 -1.344 -6.026 1.00 0.00 C ATOM 545 CD ARG A 35 7.171 -0.242 -6.526 1.00 0.00 C ATOM 546 NE ARG A 35 6.678 0.365 -7.759 1.00 0.00 N ATOM 547 CZ ARG A 35 7.395 1.196 -8.507 1.00 0.00 C ATOM 548 NH1 ARG A 35 8.631 1.517 -8.149 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.876 1.708 -9.616 1.00 0.00 N ATOM 0 H ARG A 35 6.995 -4.094 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 35 8.610 -1.783 -5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.767 -2.386 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.372 -0.760 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.396 -2.241 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.213 -1.039 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.268 0.525 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.167 -0.651 -6.696 1.00 0.00 H new ATOM 0 HE ARG A 35 5.731 0.138 -8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.033 1.125 -7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.179 2.155 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.926 1.463 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.427 2.346 -10.190 1.00 0.00 H new ATOM 563 N LEU A 36 7.824 -2.589 -1.900 1.00 0.00 N ATOM 564 CA LEU A 36 8.165 -2.346 -0.502 1.00 0.00 C ATOM 565 C LEU A 36 9.572 -2.843 -0.190 1.00 0.00 C ATOM 566 O LEU A 36 10.425 -2.078 0.258 1.00 0.00 O ATOM 567 CB LEU A 36 7.153 -3.033 0.417 1.00 0.00 C ATOM 568 CG LEU A 36 5.706 -2.553 0.300 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.742 -3.666 0.681 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.479 -1.327 1.172 1.00 0.00 C ATOM 0 H LEU A 36 7.158 -3.348 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 36 8.133 -1.270 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.177 -4.104 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.478 -2.896 1.448 1.00 0.00 H new ATOM 0 HG LEU A 36 5.518 -2.276 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.717 -3.306 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.887 -4.517 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.930 -3.974 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.444 -0.999 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.686 -1.577 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.145 -0.525 0.853 1.00 0.00 H new ATOM 582 N GLN A 37 9.808 -4.128 -0.433 1.00 0.00 N ATOM 583 CA GLN A 37 11.113 -4.727 -0.179 1.00 0.00 C ATOM 584 C GLN A 37 12.234 -3.814 -0.664 1.00 0.00 C ATOM 585 O GLN A 37 13.333 -3.812 -0.108 1.00 0.00 O ATOM 586 CB GLN A 37 11.215 -6.089 -0.867 1.00 0.00 C ATOM 587 CG GLN A 37 10.340 -7.158 -0.233 1.00 0.00 C ATOM 588 CD GLN A 37 11.055 -7.924 0.862 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.684 -9.051 1.192 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.088 -7.316 1.433 1.00 0.00 N ATOM 0 H GLN A 37 9.113 -4.775 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 37 11.219 -4.863 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.938 -5.979 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.253 -6.421 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.445 -6.692 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.010 -7.855 -1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.362 -6.382 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.608 -7.783 2.176 1.00 0.00 H new ATOM 599 N LYS A 38 11.950 -3.038 -1.705 1.00 0.00 N ATOM 600 CA LYS A 38 12.933 -2.119 -2.266 1.00 0.00 C ATOM 601 C LYS A 38 13.454 -1.162 -1.198 1.00 0.00 C ATOM 602 O LYS A 38 14.661 -1.067 -0.972 1.00 0.00 O ATOM 603 CB LYS A 38 12.319 -1.325 -3.421 1.00 0.00 C ATOM 604 CG LYS A 38 12.427 -2.025 -4.765 1.00 0.00 C ATOM 605 CD LYS A 38 11.443 -1.453 -5.772 1.00 0.00 C ATOM 606 CE LYS A 38 11.198 -2.419 -6.922 1.00 0.00 C ATOM 607 NZ LYS A 38 10.540 -1.749 -8.078 1.00 0.00 N ATOM 0 H LYS A 38 11.046 -3.028 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 38 13.770 -2.707 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.268 -1.136 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.811 -0.354 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.442 -1.923 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.240 -3.091 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.499 -1.231 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.827 -0.510 -6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.147 -2.849 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.574 -3.244 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.816 -2.227 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.507 -1.799 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.837 -0.753 -8.117 1.00 0.00 H new ATOM 621 N ASP A 39 12.538 -0.457 -0.545 1.00 0.00 N ATOM 622 CA ASP A 39 12.906 0.491 0.501 1.00 0.00 C ATOM 623 C ASP A 39 13.292 -0.238 1.784 1.00 0.00 C ATOM 624 O ASP A 39 14.064 0.275 2.593 1.00 0.00 O ATOM 625 CB ASP A 39 11.749 1.454 0.776 1.00 0.00 C ATOM 626 CG ASP A 39 12.226 2.802 1.280 1.00 0.00 C ATOM 627 OD1 ASP A 39 13.053 2.826 2.215 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.771 3.832 0.741 1.00 0.00 O ATOM 0 H ASP A 39 11.535 -0.523 -0.721 1.00 0.00 H new ATOM 0 HA ASP A 39 13.768 1.060 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.172 1.594 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.078 1.011 1.512 1.00 0.00 H new ATOM 633 N GLY A 40 12.749 -1.439 1.963 1.00 0.00 N ATOM 634 CA GLY A 40 13.047 -2.218 3.150 1.00 0.00 C ATOM 635 C GLY A 40 11.801 -2.789 3.797 1.00 0.00 C ATOM 636 O GLY A 40 10.909 -2.046 4.206 1.00 0.00 O ATOM 0 H GLY A 40 12.108 -1.886 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.721 -3.033 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.572 -1.590 3.870 1.00 0.00 H new ATOM 640 N VAL A 41 11.738 -4.114 3.891 1.00 0.00 N ATOM 641 CA VAL A 41 10.592 -4.784 4.492 1.00 0.00 C ATOM 642 C VAL A 41 11.022 -5.669 5.657 1.00 0.00 C ATOM 643 O VAL A 41 12.043 -6.351 5.587 1.00 0.00 O ATOM 644 CB VAL A 41 9.839 -5.644 3.460 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.927 -6.641 4.158 1.00 0.00 C ATOM 646 CG2 VAL A 41 9.046 -4.760 2.508 1.00 0.00 C ATOM 0 H VAL A 41 12.468 -4.744 3.558 1.00 0.00 H new ATOM 0 HA VAL A 41 9.926 -4.003 4.858 1.00 0.00 H new ATOM 0 HB VAL A 41 10.570 -6.204 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.404 -7.239 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.523 -7.295 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.200 -6.104 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.520 -5.384 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.323 -4.172 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.726 -4.090 1.982 1.00 0.00 H new ATOM 656 N ASN A 42 10.234 -5.653 6.728 1.00 0.00 N ATOM 657 CA ASN A 42 10.533 -6.454 7.909 1.00 0.00 C ATOM 658 C ASN A 42 9.937 -7.852 7.783 1.00 0.00 C ATOM 659 O ASN A 42 8.737 -8.008 7.557 1.00 0.00 O ATOM 660 CB ASN A 42 9.994 -5.769 9.166 1.00 0.00 C ATOM 661 CG ASN A 42 10.994 -4.805 9.774 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.989 -5.220 10.369 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.734 -3.511 9.627 1.00 0.00 N ATOM 0 H ASN A 42 9.384 -5.094 6.802 1.00 0.00 H new ATOM 0 HA ASN A 42 11.616 -6.546 7.990 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.079 -5.231 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.729 -6.526 9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.371 -2.815 10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.897 -3.213 9.126 1.00 0.00 H new ATOM 670 N GLN A 43 10.784 -8.866 7.930 1.00 0.00 N ATOM 671 CA GLN A 43 10.340 -10.252 7.832 1.00 0.00 C ATOM 672 C GLN A 43 9.069 -10.475 8.645 1.00 0.00 C ATOM 673 O GLN A 43 8.136 -11.138 8.190 1.00 0.00 O ATOM 674 CB GLN A 43 11.441 -11.197 8.316 1.00 0.00 C ATOM 675 CG GLN A 43 12.011 -10.823 9.675 1.00 0.00 C ATOM 676 CD GLN A 43 13.216 -11.661 10.053 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.110 -12.600 10.842 1.00 0.00 O ATOM 678 NE2 GLN A 43 14.371 -11.326 9.491 1.00 0.00 N ATOM 0 H GLN A 43 11.780 -8.754 8.117 1.00 0.00 H new ATOM 0 HA GLN A 43 10.122 -10.465 6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.043 -12.210 8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.248 -11.207 7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.293 -9.770 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.238 -10.942 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.413 -10.540 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.216 -11.855 9.708 1.00 0.00 H new ATOM 687 N LYS A 44 9.037 -9.917 9.850 1.00 0.00 N ATOM 688 CA LYS A 44 7.880 -10.053 10.727 1.00 0.00 C ATOM 689 C LYS A 44 6.637 -9.445 10.086 1.00 0.00 C ATOM 690 O LYS A 44 5.515 -9.874 10.356 1.00 0.00 O ATOM 691 CB LYS A 44 8.153 -9.381 12.074 1.00 0.00 C ATOM 692 CG LYS A 44 8.640 -7.947 11.951 1.00 0.00 C ATOM 693 CD LYS A 44 8.589 -7.224 13.286 1.00 0.00 C ATOM 694 CE LYS A 44 9.851 -7.467 14.100 1.00 0.00 C ATOM 695 NZ LYS A 44 11.018 -6.722 13.551 1.00 0.00 N ATOM 0 H LYS A 44 9.800 -9.365 10.242 1.00 0.00 H new ATOM 0 HA LYS A 44 7.701 -11.116 10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.240 -9.396 12.670 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.897 -9.963 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.662 -7.940 11.571 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.026 -7.415 11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.464 -6.154 13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.720 -7.561 13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.680 -7.164 15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.075 -8.534 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.775 -6.689 14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.367 -7.203 12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.728 -5.753 13.308 1.00 0.00 H new ATOM 709 N ASP A 45 6.844 -8.445 9.236 1.00 0.00 N ATOM 710 CA ASP A 45 5.740 -7.779 8.555 1.00 0.00 C ATOM 711 C ASP A 45 5.333 -8.548 7.302 1.00 0.00 C ATOM 712 O ASP A 45 4.169 -8.528 6.898 1.00 0.00 O ATOM 713 CB ASP A 45 6.130 -6.347 8.185 1.00 0.00 C ATOM 714 CG ASP A 45 5.908 -5.374 9.326 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.737 -5.156 9.700 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.905 -4.830 9.845 1.00 0.00 O ATOM 0 H ASP A 45 7.766 -8.078 9.002 1.00 0.00 H new ATOM 0 HA ASP A 45 4.889 -7.751 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.179 -6.324 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.549 -6.027 7.320 1.00 0.00 H new ATOM 721 N LYS A 46 6.298 -9.225 6.689 1.00 0.00 N ATOM 722 CA LYS A 46 6.041 -10.001 5.481 1.00 0.00 C ATOM 723 C LYS A 46 4.849 -10.932 5.676 1.00 0.00 C ATOM 724 O LYS A 46 4.097 -11.198 4.740 1.00 0.00 O ATOM 725 CB LYS A 46 7.280 -10.815 5.100 1.00 0.00 C ATOM 726 CG LYS A 46 8.325 -10.013 4.344 1.00 0.00 C ATOM 727 CD LYS A 46 9.246 -10.915 3.540 1.00 0.00 C ATOM 728 CE LYS A 46 10.060 -11.829 4.443 1.00 0.00 C ATOM 729 NZ LYS A 46 10.811 -12.852 3.664 1.00 0.00 N ATOM 0 H LYS A 46 7.266 -9.252 7.009 1.00 0.00 H new ATOM 0 HA LYS A 46 5.808 -9.305 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.731 -11.221 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.973 -11.664 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.831 -9.308 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.914 -9.425 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.655 -11.517 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.918 -10.305 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.760 -11.232 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.396 -12.326 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.353 -13.455 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.142 -13.438 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.463 -12.378 3.007 1.00 0.00 H new ATOM 743 N ASN A 47 4.681 -11.424 6.900 1.00 0.00 N ATOM 744 CA ASN A 47 3.579 -12.325 7.218 1.00 0.00 C ATOM 745 C ASN A 47 2.269 -11.554 7.356 1.00 0.00 C ATOM 746 O ASN A 47 1.206 -12.046 6.980 1.00 0.00 O ATOM 747 CB ASN A 47 3.873 -13.088 8.511 1.00 0.00 C ATOM 748 CG ASN A 47 2.995 -14.314 8.671 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.101 -14.344 9.516 1.00 0.00 O ATOM 750 ND2 ASN A 47 3.248 -15.333 7.857 1.00 0.00 N ATOM 0 H ASN A 47 5.294 -11.214 7.688 1.00 0.00 H new ATOM 0 HA ASN A 47 3.477 -13.037 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.920 -13.391 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.725 -12.424 9.363 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.690 -16.185 7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.000 -15.263 7.171 1.00 0.00 H new ATOM 757 N SER A 48 2.356 -10.343 7.896 1.00 0.00 N ATOM 758 CA SER A 48 1.177 -9.505 8.087 1.00 0.00 C ATOM 759 C SER A 48 0.683 -8.952 6.754 1.00 0.00 C ATOM 760 O SER A 48 -0.516 -8.742 6.562 1.00 0.00 O ATOM 761 CB SER A 48 1.493 -8.355 9.044 1.00 0.00 C ATOM 762 OG SER A 48 2.467 -7.485 8.493 1.00 0.00 O ATOM 0 H SER A 48 3.230 -9.920 8.209 1.00 0.00 H new ATOM 0 HA SER A 48 0.389 -10.121 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.582 -7.796 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.853 -8.755 9.992 1.00 0.00 H new ATOM 0 HG SER A 48 3.091 -8.000 7.940 1.00 0.00 H new ATOM 768 N LEU A 49 1.614 -8.718 5.836 1.00 0.00 N ATOM 769 CA LEU A 49 1.275 -8.189 4.520 1.00 0.00 C ATOM 770 C LEU A 49 0.065 -8.913 3.937 1.00 0.00 C ATOM 771 O LEU A 49 -0.954 -8.295 3.632 1.00 0.00 O ATOM 772 CB LEU A 49 2.468 -8.321 3.572 1.00 0.00 C ATOM 773 CG LEU A 49 2.397 -7.500 2.284 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.372 -8.042 1.250 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.979 -7.496 1.732 1.00 0.00 C ATOM 0 H LEU A 49 2.610 -8.886 5.979 1.00 0.00 H new ATOM 0 HA LEU A 49 1.024 -7.134 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.370 -8.034 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.579 -9.372 3.304 1.00 0.00 H new ATOM 0 HG LEU A 49 2.679 -6.473 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.307 -7.445 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.387 -7.992 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.122 -9.078 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.947 -6.907 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.669 -8.519 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.303 -7.059 2.468 1.00 0.00 H new ATOM 787 N GLY A 50 0.185 -10.229 3.787 1.00 0.00 N ATOM 788 CA GLY A 50 -0.906 -11.016 3.243 1.00 0.00 C ATOM 789 C GLY A 50 -2.220 -10.752 3.951 1.00 0.00 C ATOM 790 O GLY A 50 -3.277 -10.719 3.321 1.00 0.00 O ATOM 0 H GLY A 50 1.018 -10.764 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.017 -10.793 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.661 -12.075 3.322 1.00 0.00 H new ATOM 794 N ALA A 51 -2.155 -10.565 5.266 1.00 0.00 N ATOM 795 CA ALA A 51 -3.349 -10.303 6.060 1.00 0.00 C ATOM 796 C ALA A 51 -3.892 -8.904 5.789 1.00 0.00 C ATOM 797 O ALA A 51 -5.102 -8.710 5.674 1.00 0.00 O ATOM 798 CB ALA A 51 -3.046 -10.476 7.541 1.00 0.00 C ATOM 0 H ALA A 51 -1.288 -10.590 5.803 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.114 -11.024 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.946 -10.277 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.712 -11.497 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.262 -9.778 7.836 1.00 0.00 H new ATOM 804 N ILE A 52 -2.990 -7.933 5.690 1.00 0.00 N ATOM 805 CA ILE A 52 -3.380 -6.552 5.432 1.00 0.00 C ATOM 806 C ILE A 52 -4.048 -6.415 4.068 1.00 0.00 C ATOM 807 O ILE A 52 -5.104 -5.795 3.942 1.00 0.00 O ATOM 808 CB ILE A 52 -2.168 -5.604 5.496 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.502 -5.684 6.871 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.596 -4.176 5.191 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.075 -5.183 6.881 1.00 0.00 C ATOM 0 H ILE A 52 -1.985 -8.077 5.784 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.090 -6.273 6.211 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.443 -5.914 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.087 -5.103 7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.518 -6.719 7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.729 -3.518 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.029 -4.132 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.337 -3.854 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.334 -5.269 7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.525 -5.779 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.054 -4.139 6.569 1.00 0.00 H new ATOM 823 N LEU A 53 -3.426 -6.999 3.050 1.00 0.00 N ATOM 824 CA LEU A 53 -3.960 -6.944 1.693 1.00 0.00 C ATOM 825 C LEU A 53 -5.458 -7.235 1.686 1.00 0.00 C ATOM 826 O LEU A 53 -6.213 -6.629 0.927 1.00 0.00 O ATOM 827 CB LEU A 53 -3.231 -7.944 0.795 1.00 0.00 C ATOM 828 CG LEU A 53 -1.872 -7.495 0.256 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.049 -8.696 -0.184 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.053 -6.519 -0.897 1.00 0.00 C ATOM 0 H LEU A 53 -2.551 -7.516 3.138 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.801 -5.937 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.090 -8.869 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.876 -8.179 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.335 -6.986 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.085 -8.357 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.890 -9.359 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.581 -9.233 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.076 -6.210 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.610 -7.003 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.603 -5.644 -0.550 1.00 0.00 H new ATOM 842 N GLN A 54 -5.879 -8.163 2.539 1.00 0.00 N ATOM 843 CA GLN A 54 -7.287 -8.533 2.631 1.00 0.00 C ATOM 844 C GLN A 54 -8.033 -7.602 3.581 1.00 0.00 C ATOM 845 O GLN A 54 -9.258 -7.506 3.535 1.00 0.00 O ATOM 846 CB GLN A 54 -7.426 -9.981 3.103 1.00 0.00 C ATOM 847 CG GLN A 54 -8.816 -10.324 3.613 1.00 0.00 C ATOM 848 CD GLN A 54 -9.150 -11.794 3.452 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.665 -12.456 2.534 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.984 -12.313 4.346 1.00 0.00 N ATOM 0 H GLN A 54 -5.266 -8.672 3.176 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.727 -8.438 1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.176 -10.649 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.701 -10.167 3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.890 -10.052 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.553 -9.727 3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.362 -11.728 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.246 -13.297 4.288 1.00 0.00 H new ATOM 859 N GLN A 55 -7.284 -6.918 4.441 1.00 0.00 N ATOM 860 CA GLN A 55 -7.876 -5.996 5.403 1.00 0.00 C ATOM 861 C GLN A 55 -8.096 -4.623 4.776 1.00 0.00 C ATOM 862 O GLN A 55 -8.946 -3.854 5.225 1.00 0.00 O ATOM 863 CB GLN A 55 -6.980 -5.869 6.637 1.00 0.00 C ATOM 864 CG GLN A 55 -6.905 -7.140 7.467 1.00 0.00 C ATOM 865 CD GLN A 55 -8.068 -7.279 8.430 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.224 -7.366 8.016 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.767 -7.301 9.723 1.00 0.00 N ATOM 0 H GLN A 55 -6.267 -6.985 4.491 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.844 -6.397 5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.975 -5.593 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.351 -5.057 7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.884 -8.003 6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.971 -7.148 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.795 -7.226 10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.508 -7.393 10.418 1.00 0.00 H new ATOM 876 N VAL A 56 -7.323 -4.322 3.737 1.00 0.00 N ATOM 877 CA VAL A 56 -7.434 -3.042 3.048 1.00 0.00 C ATOM 878 C VAL A 56 -7.713 -3.240 1.562 1.00 0.00 C ATOM 879 O VAL A 56 -8.251 -2.355 0.898 1.00 0.00 O ATOM 880 CB VAL A 56 -6.153 -2.203 3.212 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.876 -1.932 4.683 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.971 -2.905 2.559 1.00 0.00 C ATOM 0 H VAL A 56 -6.614 -4.947 3.354 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.269 -2.509 3.503 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.300 -1.245 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.967 -1.338 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.714 -1.386 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.748 -2.878 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.074 -2.299 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.821 -3.877 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.171 -3.042 1.496 1.00 0.00 H new ATOM 892 N ALA A 57 -7.343 -4.408 1.047 1.00 0.00 N ATOM 893 CA ALA A 57 -7.556 -4.724 -0.360 1.00 0.00 C ATOM 894 C ALA A 57 -8.376 -5.999 -0.518 1.00 0.00 C ATOM 895 O ALA A 57 -8.725 -6.650 0.466 1.00 0.00 O ATOM 896 CB ALA A 57 -6.221 -4.860 -1.077 1.00 0.00 C ATOM 0 H ALA A 57 -6.894 -5.151 1.583 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.117 -3.905 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.394 -5.096 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.671 -3.922 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.640 -5.659 -0.616 1.00 0.00 H new ATOM 902 N ASN A 58 -8.682 -6.350 -1.763 1.00 0.00 N ATOM 903 CA ASN A 58 -9.463 -7.548 -2.050 1.00 0.00 C ATOM 904 C ASN A 58 -8.799 -8.381 -3.142 1.00 0.00 C ATOM 905 O ASN A 58 -8.487 -7.876 -4.221 1.00 0.00 O ATOM 906 CB ASN A 58 -10.882 -7.166 -2.476 1.00 0.00 C ATOM 907 CG ASN A 58 -11.717 -6.658 -1.316 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.971 -7.385 -0.355 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.147 -5.405 -1.401 1.00 0.00 N ATOM 0 H ASN A 58 -8.401 -5.822 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.512 -8.147 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.832 -6.398 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.371 -8.033 -2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.712 -5.008 -0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.912 -4.839 -2.217 1.00 0.00 H new ATOM 916 N LEU A 59 -8.587 -9.661 -2.855 1.00 0.00 N ATOM 917 CA LEU A 59 -7.961 -10.566 -3.812 1.00 0.00 C ATOM 918 C LEU A 59 -8.978 -11.071 -4.830 1.00 0.00 C ATOM 919 O LEU A 59 -10.074 -11.497 -4.468 1.00 0.00 O ATOM 920 CB LEU A 59 -7.322 -11.749 -3.083 1.00 0.00 C ATOM 921 CG LEU A 59 -6.249 -12.515 -3.857 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.722 -13.678 -3.031 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.800 -13.009 -5.186 1.00 0.00 C ATOM 0 H LEU A 59 -8.840 -10.095 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.186 -10.013 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.881 -11.383 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.111 -12.448 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.421 -11.836 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.959 -14.211 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.288 -13.300 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.541 -14.358 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.022 -13.552 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.646 -13.672 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.127 -12.158 -5.783 1.00 0.00 H new ATOM 935 N ASN A 60 -8.607 -11.022 -6.105 1.00 0.00 N ATOM 936 CA ASN A 60 -9.487 -11.476 -7.176 1.00 0.00 C ATOM 937 C ASN A 60 -8.971 -12.773 -7.791 1.00 0.00 C ATOM 938 O ASN A 60 -8.134 -12.755 -8.693 1.00 0.00 O ATOM 939 CB ASN A 60 -9.608 -10.399 -8.256 1.00 0.00 C ATOM 940 CG ASN A 60 -10.929 -10.469 -8.997 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.306 -11.519 -9.519 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.640 -9.348 -9.047 1.00 0.00 N ATOM 0 H ASN A 60 -7.703 -10.672 -6.422 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.472 -11.664 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.503 -9.416 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.789 -10.508 -8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.537 -9.334 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.289 -8.501 -8.600 1.00 0.00 H new ATOM 949 N SER A 61 -9.477 -13.898 -7.296 1.00 0.00 N ATOM 950 CA SER A 61 -9.065 -15.205 -7.794 1.00 0.00 C ATOM 951 C SER A 61 -8.799 -15.155 -9.295 1.00 0.00 C ATOM 952 O SER A 61 -7.904 -15.831 -9.802 1.00 0.00 O ATOM 953 CB SER A 61 -10.139 -16.252 -7.489 1.00 0.00 C ATOM 954 OG SER A 61 -10.219 -16.511 -6.098 1.00 0.00 O ATOM 0 H SER A 61 -10.173 -13.931 -6.551 1.00 0.00 H new ATOM 0 HA SER A 61 -8.141 -15.485 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.105 -15.903 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.912 -17.176 -8.022 1.00 0.00 H new ATOM 0 HG SER A 61 -10.913 -17.182 -5.930 1.00 0.00 H new ATOM 960 N LYS A 62 -9.584 -14.350 -10.002 1.00 0.00 N ATOM 961 CA LYS A 62 -9.435 -14.209 -11.446 1.00 0.00 C ATOM 962 C LYS A 62 -7.962 -14.139 -11.837 1.00 0.00 C ATOM 963 O LYS A 62 -7.432 -15.059 -12.460 1.00 0.00 O ATOM 964 CB LYS A 62 -10.163 -12.954 -11.934 1.00 0.00 C ATOM 965 CG LYS A 62 -10.631 -13.045 -13.376 1.00 0.00 C ATOM 966 CD LYS A 62 -11.767 -12.075 -13.656 1.00 0.00 C ATOM 967 CE LYS A 62 -11.823 -11.691 -15.127 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.904 -10.704 -15.402 1.00 0.00 N ATOM 0 H LYS A 62 -10.331 -13.785 -9.598 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.877 -15.086 -11.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.025 -12.771 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.500 -12.095 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.797 -12.832 -14.044 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.959 -14.062 -13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.714 -12.527 -13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.639 -11.178 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.863 -11.272 -15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.985 -12.585 -15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.909 -10.468 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.823 -11.113 -15.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.736 -9.841 -14.846 1.00 0.00 H new ATOM 982 N ASP A 63 -7.307 -13.045 -11.465 1.00 0.00 N ATOM 983 CA ASP A 63 -5.895 -12.857 -11.775 1.00 0.00 C ATOM 984 C ASP A 63 -5.050 -12.897 -10.505 1.00 0.00 C ATOM 985 O ASP A 63 -3.854 -12.605 -10.532 1.00 0.00 O ATOM 986 CB ASP A 63 -5.682 -11.529 -12.502 1.00 0.00 C ATOM 987 CG ASP A 63 -4.240 -11.323 -12.922 1.00 0.00 C ATOM 988 OD1 ASP A 63 -3.825 -11.924 -13.935 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.525 -10.562 -12.236 1.00 0.00 O ATOM 0 H ASP A 63 -7.731 -12.275 -10.948 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.580 -13.673 -12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.322 -11.494 -13.383 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.989 -10.709 -11.852 1.00 0.00 H new ATOM 994 N LEU A 64 -5.680 -13.259 -9.393 1.00 0.00 N ATOM 995 CA LEU A 64 -4.988 -13.336 -8.111 1.00 0.00 C ATOM 996 C LEU A 64 -4.354 -11.996 -7.754 1.00 0.00 C ATOM 997 O LEU A 64 -3.355 -11.942 -7.036 1.00 0.00 O ATOM 998 CB LEU A 64 -3.914 -14.426 -8.154 1.00 0.00 C ATOM 999 CG LEU A 64 -4.403 -15.859 -7.940 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.302 -16.854 -8.271 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.884 -16.049 -6.508 1.00 0.00 C ATOM 0 H LEU A 64 -6.669 -13.504 -9.353 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.721 -13.586 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.412 -14.375 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.166 -14.201 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.242 -16.041 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.669 -17.868 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.004 -16.734 -9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.443 -16.674 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.229 -17.074 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.064 -15.848 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.705 -15.361 -6.306 1.00 0.00 H new ATOM 1013 N SER A 65 -4.942 -10.916 -8.257 1.00 0.00 N ATOM 1014 CA SER A 65 -4.434 -9.575 -7.992 1.00 0.00 C ATOM 1015 C SER A 65 -5.204 -8.918 -6.850 1.00 0.00 C ATOM 1016 O SER A 65 -6.424 -9.051 -6.751 1.00 0.00 O ATOM 1017 CB SER A 65 -4.533 -8.711 -9.251 1.00 0.00 C ATOM 1018 OG SER A 65 -5.885 -8.472 -9.601 1.00 0.00 O ATOM 0 H SER A 65 -5.771 -10.943 -8.851 1.00 0.00 H new ATOM 0 HA SER A 65 -3.387 -9.661 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.024 -7.762 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.023 -9.206 -10.077 1.00 0.00 H new ATOM 0 HG SER A 65 -5.921 -7.916 -10.407 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.482 -8.210 -5.988 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.095 -7.535 -4.851 1.00 0.00 C ATOM 1026 C TYR A 66 -5.477 -6.102 -5.210 1.00 0.00 C ATOM 1027 O TYR A 66 -4.619 -5.276 -5.522 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.140 -7.535 -3.656 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.031 -8.878 -2.969 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -4.919 -9.242 -1.965 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.038 -9.783 -3.325 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.822 -10.467 -1.335 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.934 -11.011 -2.701 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.828 -11.349 -1.706 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.729 -12.571 -1.082 1.00 0.00 O ATOM 0 H TYR A 66 -3.471 -8.089 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.002 -8.078 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.150 -7.227 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.476 -6.792 -2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.699 -8.555 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.336 -9.522 -4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.521 -10.733 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.157 -11.703 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.357 -13.228 -1.707 1.00 0.00 H new ATOM 1045 N THR A 67 -6.774 -5.814 -5.163 1.00 0.00 N ATOM 1046 CA THR A 67 -7.273 -4.482 -5.483 1.00 0.00 C ATOM 1047 C THR A 67 -7.624 -3.708 -4.218 1.00 0.00 C ATOM 1048 O THR A 67 -8.410 -4.173 -3.391 1.00 0.00 O ATOM 1049 CB THR A 67 -8.516 -4.551 -6.391 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.617 -5.118 -5.672 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.233 -5.382 -7.633 1.00 0.00 C ATOM 0 H THR A 67 -7.498 -6.485 -4.906 1.00 0.00 H new ATOM 0 HA THR A 67 -6.474 -3.964 -6.013 1.00 0.00 H new ATOM 0 HB THR A 67 -8.769 -3.537 -6.701 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.434 -5.080 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.125 -5.416 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.414 -4.931 -8.193 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.957 -6.395 -7.338 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.039 -2.524 -4.073 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.291 -1.684 -2.907 1.00 0.00 C ATOM 1061 C LEU A 68 -8.785 -1.433 -2.730 1.00 0.00 C ATOM 1062 O LEU A 68 -9.478 -1.052 -3.673 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.552 -0.352 -3.045 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.109 0.308 -1.739 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.008 1.816 -1.910 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.072 -0.039 -0.612 1.00 0.00 C ATOM 0 H LEU A 68 -6.387 -2.124 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.922 -2.208 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.670 -0.511 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.197 0.345 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.122 -0.075 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.691 2.268 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.279 2.046 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.981 2.216 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.741 0.439 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.071 0.315 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.094 -1.120 -0.472 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.275 -1.648 -1.513 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.686 -1.443 -1.209 1.00 0.00 C ATOM 1080 C LYS A 69 -11.138 -0.051 -1.639 1.00 0.00 C ATOM 1081 O LYS A 69 -10.371 0.704 -2.237 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.939 -1.633 0.288 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.063 -3.089 0.704 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.953 -3.250 2.210 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.692 -4.697 2.599 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.959 -5.449 2.817 1.00 0.00 N ATOM 0 H LYS A 69 -8.715 -1.964 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.263 -2.182 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.125 -1.172 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.853 -1.106 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.020 -3.485 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.284 -3.675 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.147 -2.620 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.873 -2.906 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.110 -5.184 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.091 -4.726 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.739 -6.431 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.503 -4.999 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.521 -5.443 1.942 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.386 0.283 -1.330 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.939 1.585 -1.682 1.00 0.00 C ATOM 1102 C ASP A 70 -12.858 2.547 -0.501 1.00 0.00 C ATOM 1103 O ASP A 70 -12.479 3.708 -0.658 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.392 1.440 -2.138 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.531 0.537 -3.348 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -13.855 0.800 -4.364 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.317 -0.431 -3.280 1.00 0.00 O ATOM 0 H ASP A 70 -13.034 -0.331 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.348 1.993 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.989 1.039 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.796 2.424 -2.375 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.218 2.057 0.680 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.189 2.875 1.888 1.00 0.00 C ATOM 1114 C TYR A 71 -11.761 3.284 2.235 1.00 0.00 C ATOM 1115 O TYR A 71 -11.500 4.434 2.588 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.812 2.114 3.059 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.805 1.352 3.891 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.372 0.089 3.508 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.287 1.895 5.060 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.452 -0.611 4.265 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.367 1.203 5.823 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.952 -0.049 5.421 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.036 -0.743 6.179 1.00 0.00 O ATOM 0 H TYR A 71 -13.533 1.098 0.827 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.770 3.778 1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.340 2.820 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.555 1.416 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.761 -0.354 2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.609 2.876 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.126 -1.592 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.975 1.640 6.729 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.784 -0.207 6.959 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.838 2.333 2.131 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.435 2.592 2.431 1.00 0.00 C ATOM 1135 C VAL A 72 -8.945 3.850 1.723 1.00 0.00 C ATOM 1136 O VAL A 72 -8.100 4.580 2.243 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.544 1.405 2.021 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.087 1.691 2.352 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.013 0.127 2.700 1.00 0.00 C ATOM 0 H VAL A 72 -11.037 1.376 1.841 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.363 2.734 3.509 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.626 1.267 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.473 0.841 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.760 2.581 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.983 1.857 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.372 -0.701 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.962 0.250 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.041 -0.085 2.407 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.481 4.100 0.533 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.098 5.270 -0.248 1.00 0.00 C ATOM 1151 C PHE A 73 -9.151 6.534 0.605 1.00 0.00 C ATOM 1152 O PHE A 73 -8.380 7.471 0.396 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.017 5.422 -1.463 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.737 4.428 -2.553 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.441 4.194 -2.981 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.772 3.726 -3.151 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.180 3.280 -3.984 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.518 2.810 -4.154 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.221 2.588 -4.572 1.00 0.00 C ATOM 0 H PHE A 73 -10.182 3.508 0.088 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.074 5.127 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.053 5.314 -1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.911 6.430 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.624 4.733 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.789 3.897 -2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.164 3.107 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.333 2.268 -4.610 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.021 1.874 -5.358 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.067 6.553 1.567 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.222 7.700 2.454 1.00 0.00 C ATOM 1171 C LYS A 74 -9.097 7.749 3.483 1.00 0.00 C ATOM 1172 O LYS A 74 -8.730 8.820 3.964 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.576 7.642 3.165 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.552 6.840 4.454 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.936 6.737 5.072 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.855 5.856 4.239 1.00 0.00 C ATOM 1177 NZ LYS A 74 -15.143 5.582 4.936 1.00 0.00 N ATOM 0 H LYS A 74 -10.714 5.786 1.753 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.175 8.605 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.905 8.658 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.313 7.207 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.166 5.840 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.870 7.309 5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.856 6.330 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.370 7.733 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.055 6.341 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.353 4.914 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.741 4.979 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.954 5.096 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.634 6.479 5.123 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.554 6.582 3.815 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.471 6.493 4.787 1.00 0.00 C ATOM 1193 C GLU A 75 -6.156 6.977 4.182 1.00 0.00 C ATOM 1194 O GLU A 75 -5.279 7.473 4.890 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.318 5.054 5.283 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.564 4.506 5.958 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.270 3.318 6.853 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.456 2.460 6.450 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.852 3.246 7.955 1.00 0.00 O ATOM 0 H GLU A 75 -8.846 5.686 3.425 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.721 7.136 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.061 4.413 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.485 5.007 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.029 5.295 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.286 4.212 5.196 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.026 6.827 2.868 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.819 7.248 2.166 1.00 0.00 C ATOM 1208 C LEU A 76 -4.395 8.647 2.601 1.00 0.00 C ATOM 1209 O LEU A 76 -5.110 9.318 3.345 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.048 7.219 0.654 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.139 5.833 0.015 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.647 5.936 -1.414 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.786 5.138 0.053 1.00 0.00 C ATOM 0 H LEU A 76 -6.742 6.417 2.268 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.020 6.551 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.970 7.759 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.237 7.766 0.173 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.848 5.236 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.705 4.940 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.637 6.392 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.964 6.551 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.870 4.153 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.056 5.733 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.462 5.030 1.088 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.231 9.081 2.130 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.714 10.401 2.470 1.00 0.00 C ATOM 1227 C GLN A 77 -2.290 11.159 1.216 1.00 0.00 C ATOM 1228 O GLN A 77 -1.236 10.886 0.641 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.529 10.277 3.430 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.828 9.433 4.659 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.787 9.599 5.748 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -0.400 10.718 6.088 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.326 8.484 6.302 1.00 0.00 N ATOM 0 H GLN A 77 -2.628 8.538 1.512 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.511 10.961 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.684 9.841 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.225 11.274 3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.807 9.706 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.882 8.383 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.674 7.578 5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.377 8.534 7.040 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.118 12.111 0.798 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.829 12.907 -0.389 1.00 0.00 C ATOM 1244 C ARG A 78 -1.396 13.431 -0.357 1.00 0.00 C ATOM 1245 O ARG A 78 -0.802 13.706 -1.399 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.809 14.076 -0.495 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.071 13.745 -1.276 1.00 0.00 C ATOM 1248 CD ARG A 78 -4.888 14.001 -2.764 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.003 15.419 -3.094 1.00 0.00 N ATOM 1250 CZ ARG A 78 -4.850 15.903 -4.321 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -4.577 15.086 -5.330 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -4.969 17.205 -4.542 1.00 0.00 N ATOM 0 H ARG A 78 -3.994 12.350 1.263 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.943 12.266 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.087 14.398 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.307 14.918 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.336 12.700 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.900 14.345 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.911 13.634 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.634 13.437 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.212 16.074 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.484 14.084 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.460 15.460 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.178 17.836 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.851 17.575 -5.485 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.849 13.567 0.846 1.00 0.00 N ATOM 1267 CA ASP A 79 0.514 14.058 1.014 1.00 0.00 C ATOM 1268 C ASP A 79 1.509 12.902 1.041 1.00 0.00 C ATOM 1269 O ASP A 79 2.590 13.013 1.620 1.00 0.00 O ATOM 1270 CB ASP A 79 0.629 14.876 2.301 1.00 0.00 C ATOM 1271 CG ASP A 79 -0.417 15.971 2.386 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -0.337 16.931 1.591 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -1.315 15.867 3.247 1.00 0.00 O ATOM 0 H ASP A 79 -1.328 13.344 1.719 1.00 0.00 H new ATOM 0 HA ASP A 79 0.751 14.697 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.527 14.213 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.622 15.321 2.358 1.00 0.00 H new ATOM 1278 N TRP A 80 1.135 11.792 0.414 1.00 0.00 N ATOM 1279 CA TRP A 80 1.994 10.614 0.368 1.00 0.00 C ATOM 1280 C TRP A 80 3.237 10.880 -0.475 1.00 0.00 C ATOM 1281 O TRP A 80 3.157 11.145 -1.674 1.00 0.00 O ATOM 1282 CB TRP A 80 1.226 9.419 -0.197 1.00 0.00 C ATOM 1283 CG TRP A 80 1.996 8.135 -0.136 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.470 7.412 -1.193 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.379 7.421 1.045 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.125 6.292 -0.741 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.084 6.274 0.628 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.198 7.639 2.413 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.604 5.352 1.531 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.715 6.722 3.308 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.412 5.591 2.865 1.00 0.00 C ATOM 0 H TRP A 80 0.243 11.683 -0.069 1.00 0.00 H new ATOM 0 HA TRP A 80 2.310 10.385 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.294 9.302 0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.959 9.625 -1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.348 7.681 -2.232 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.570 5.588 -1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.663 8.509 2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.140 4.478 1.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.579 6.880 4.368 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.806 4.894 3.590 1.00 0.00 H new ATOM 1302 N PRO A 81 4.414 10.807 0.165 1.00 0.00 N ATOM 1303 CA PRO A 81 5.696 11.036 -0.508 1.00 0.00 C ATOM 1304 C PRO A 81 6.046 9.918 -1.484 1.00 0.00 C ATOM 1305 O PRO A 81 6.971 10.047 -2.285 1.00 0.00 O ATOM 1306 CB PRO A 81 6.701 11.073 0.646 1.00 0.00 C ATOM 1307 CG PRO A 81 6.064 10.271 1.728 1.00 0.00 C ATOM 1308 CD PRO A 81 4.583 10.496 1.594 1.00 0.00 C ATOM 0 HA PRO A 81 5.684 11.945 -1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.660 10.648 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.893 12.095 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.309 9.214 1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.419 10.587 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.014 9.612 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.242 11.315 2.227 1.00 0.00 H new ATOM 1316 N GLY A 82 5.300 8.820 -1.411 1.00 0.00 N ATOM 1317 CA GLY A 82 5.547 7.695 -2.294 1.00 0.00 C ATOM 1318 C GLY A 82 5.019 7.930 -3.695 1.00 0.00 C ATOM 1319 O GLY A 82 5.217 7.105 -4.587 1.00 0.00 O ATOM 0 H GLY A 82 4.529 8.689 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.619 7.502 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.080 6.802 -1.878 1.00 0.00 H new ATOM 1323 N TYR A 83 4.343 9.057 -3.889 1.00 0.00 N ATOM 1324 CA TYR A 83 3.781 9.397 -5.190 1.00 0.00 C ATOM 1325 C TYR A 83 4.633 10.448 -5.895 1.00 0.00 C ATOM 1326 O TYR A 83 4.730 11.589 -5.442 1.00 0.00 O ATOM 1327 CB TYR A 83 2.348 9.907 -5.033 1.00 0.00 C ATOM 1328 CG TYR A 83 1.397 8.878 -4.464 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.450 7.552 -4.877 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.446 9.231 -3.515 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.583 6.608 -4.361 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.424 8.293 -2.993 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.351 6.983 -3.419 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.217 6.047 -2.902 1.00 0.00 O ATOM 0 H TYR A 83 4.171 9.751 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 83 3.773 8.494 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.352 10.783 -4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.979 10.232 -6.006 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.181 7.254 -5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.386 10.256 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.637 5.582 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.157 8.584 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.158 5.222 -3.427 1.00 0.00 H new ATOM 1344 N SER A 84 5.247 10.055 -7.006 1.00 0.00 N ATOM 1345 CA SER A 84 6.094 10.962 -7.772 1.00 0.00 C ATOM 1346 C SER A 84 5.253 12.012 -8.493 1.00 0.00 C ATOM 1347 O SER A 84 4.033 12.052 -8.345 1.00 0.00 O ATOM 1348 CB SER A 84 6.930 10.178 -8.786 1.00 0.00 C ATOM 1349 OG SER A 84 7.959 9.448 -8.142 1.00 0.00 O ATOM 0 H SER A 84 5.174 9.115 -7.396 1.00 0.00 H new ATOM 0 HA SER A 84 6.762 11.471 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.287 9.494 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.366 10.865 -9.511 1.00 0.00 H new ATOM 0 HG SER A 84 8.478 8.954 -8.811 1.00 0.00 H new ATOM 1355 N GLU A 85 5.917 12.859 -9.273 1.00 0.00 N ATOM 1356 CA GLU A 85 5.231 13.909 -10.016 1.00 0.00 C ATOM 1357 C GLU A 85 4.062 13.338 -10.812 1.00 0.00 C ATOM 1358 O GLU A 85 3.124 14.056 -11.159 1.00 0.00 O ATOM 1359 CB GLU A 85 6.207 14.618 -10.959 1.00 0.00 C ATOM 1360 CG GLU A 85 5.522 15.389 -12.075 1.00 0.00 C ATOM 1361 CD GLU A 85 4.750 16.590 -11.566 1.00 0.00 C ATOM 1362 OE1 GLU A 85 5.394 17.564 -11.122 1.00 0.00 O ATOM 1363 OE2 GLU A 85 3.503 16.558 -11.612 1.00 0.00 O ATOM 0 H GLU A 85 6.928 12.839 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 85 4.841 14.631 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.825 15.305 -10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.877 13.879 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.270 15.721 -12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.842 14.724 -12.607 1.00 0.00 H new ATOM 1370 N ILE A 86 4.125 12.042 -11.098 1.00 0.00 N ATOM 1371 CA ILE A 86 3.072 11.374 -11.853 1.00 0.00 C ATOM 1372 C ILE A 86 2.064 10.711 -10.920 1.00 0.00 C ATOM 1373 O ILE A 86 0.893 11.088 -10.887 1.00 0.00 O ATOM 1374 CB ILE A 86 3.650 10.311 -12.806 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.795 10.902 -13.630 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.559 9.768 -13.717 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.087 11.043 -12.856 1.00 0.00 C ATOM 0 H ILE A 86 4.894 11.433 -10.818 1.00 0.00 H new ATOM 0 HA ILE A 86 2.569 12.142 -12.441 1.00 0.00 H new ATOM 0 HB ILE A 86 4.044 9.486 -12.212 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.970 10.269 -14.500 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.496 11.882 -14.003 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.983 9.018 -14.385 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.773 9.314 -13.113 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.138 10.583 -14.307 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.854 11.468 -13.503 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.929 11.700 -12.001 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.410 10.063 -12.506 1.00 0.00 H new ATOM 1389 N ASP A 87 2.528 9.723 -10.163 1.00 0.00 N ATOM 1390 CA ASP A 87 1.668 9.008 -9.227 1.00 0.00 C ATOM 1391 C ASP A 87 0.628 9.945 -8.621 1.00 0.00 C ATOM 1392 O ASP A 87 -0.574 9.691 -8.705 1.00 0.00 O ATOM 1393 CB ASP A 87 2.505 8.370 -8.117 1.00 0.00 C ATOM 1394 CG ASP A 87 3.692 7.598 -8.659 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.681 7.260 -9.861 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.632 7.330 -7.880 1.00 0.00 O ATOM 0 H ASP A 87 3.495 9.399 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 87 1.148 8.223 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.859 9.148 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.876 7.700 -7.531 1.00 0.00 H new ATOM 1401 N ARG A 88 1.098 11.028 -8.011 1.00 0.00 N ATOM 1402 CA ARG A 88 0.208 12.001 -7.390 1.00 0.00 C ATOM 1403 C ARG A 88 -0.974 12.318 -8.302 1.00 0.00 C ATOM 1404 O ARG A 88 -2.131 12.153 -7.915 1.00 0.00 O ATOM 1405 CB ARG A 88 0.971 13.285 -7.062 1.00 0.00 C ATOM 1406 CG ARG A 88 1.899 13.154 -5.865 1.00 0.00 C ATOM 1407 CD ARG A 88 2.742 14.405 -5.673 1.00 0.00 C ATOM 1408 NE ARG A 88 2.041 15.422 -4.894 1.00 0.00 N ATOM 1409 CZ ARG A 88 1.195 16.300 -5.422 1.00 0.00 C ATOM 1410 NH1 ARG A 88 0.946 16.283 -6.724 1.00 0.00 N ATOM 1411 NH2 ARG A 88 0.596 17.195 -4.648 1.00 0.00 N ATOM 0 H ARG A 88 2.090 11.254 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.175 11.567 -6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.555 13.583 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.255 14.084 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.311 12.969 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.552 12.292 -6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.673 14.141 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.010 14.815 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 88 2.210 15.460 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.404 15.595 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.296 16.958 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.785 17.210 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.053 17.868 -5.055 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.674 12.774 -9.513 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.711 13.116 -10.479 1.00 0.00 C ATOM 1427 C ARG A 89 -2.492 11.874 -10.900 1.00 0.00 C ATOM 1428 O ARG A 89 -3.619 11.973 -11.384 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.092 13.783 -11.709 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.367 12.813 -12.628 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.419 13.273 -14.077 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.767 13.179 -14.632 1.00 0.00 N ATOM 1433 CZ ARG A 89 -2.062 13.465 -15.895 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.111 13.862 -16.729 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.312 13.355 -16.327 1.00 0.00 N ATOM 0 H ARG A 89 0.279 12.915 -9.849 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.400 13.814 -10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.877 14.286 -12.273 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.392 14.552 -11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.672 12.719 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.817 11.824 -12.543 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.071 14.304 -14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.262 12.667 -14.675 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.522 12.877 -14.016 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.149 13.949 -16.401 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.341 14.081 -17.698 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.047 13.051 -15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.538 13.575 -17.297 1.00 0.00 H new ATOM 1449 N SER A 90 -1.885 10.707 -10.712 1.00 0.00 N ATOM 1450 CA SER A 90 -2.522 9.447 -11.075 1.00 0.00 C ATOM 1451 C SER A 90 -3.456 8.970 -9.967 1.00 0.00 C ATOM 1452 O SER A 90 -4.382 8.196 -10.210 1.00 0.00 O ATOM 1453 CB SER A 90 -1.463 8.379 -11.359 1.00 0.00 C ATOM 1454 OG SER A 90 -1.004 8.460 -12.698 1.00 0.00 O ATOM 0 H SER A 90 -0.953 10.608 -10.310 1.00 0.00 H new ATOM 0 HA SER A 90 -3.112 9.614 -11.976 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.623 8.504 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.881 7.389 -11.174 1.00 0.00 H new ATOM 0 HG SER A 90 -0.327 7.769 -12.854 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.205 9.439 -8.749 1.00 0.00 N ATOM 1461 CA LEU A 91 -4.023 9.062 -7.601 1.00 0.00 C ATOM 1462 C LEU A 91 -5.160 10.057 -7.392 1.00 0.00 C ATOM 1463 O LEU A 91 -6.306 9.667 -7.175 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.161 8.982 -6.340 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.866 9.310 -5.024 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.211 8.569 -3.869 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.854 10.811 -4.772 1.00 0.00 C ATOM 0 H LEU A 91 -2.442 10.080 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.456 8.082 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.750 7.975 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.318 9.663 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.903 8.982 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.726 8.815 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.272 7.495 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.165 8.865 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.360 11.026 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.824 11.163 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.370 11.321 -5.586 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.833 11.344 -7.461 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.828 12.395 -7.281 1.00 0.00 C ATOM 1481 C GLU A 92 -7.125 12.046 -8.006 1.00 0.00 C ATOM 1482 O GLU A 92 -8.216 12.372 -7.539 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.288 13.732 -7.792 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.138 13.790 -9.303 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.620 15.131 -9.786 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -4.831 16.139 -9.080 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -4.004 15.172 -10.872 1.00 0.00 O ATOM 0 H GLU A 92 -3.888 11.683 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.040 12.481 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.956 14.531 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.319 13.923 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.457 13.003 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.103 13.588 -9.768 1.00 0.00 H new ATOM 1494 N SER A 93 -6.996 11.383 -9.150 1.00 0.00 N ATOM 1495 CA SER A 93 -8.157 10.994 -9.943 1.00 0.00 C ATOM 1496 C SER A 93 -8.924 9.863 -9.265 1.00 0.00 C ATOM 1497 O SER A 93 -10.133 9.956 -9.055 1.00 0.00 O ATOM 1498 CB SER A 93 -7.722 10.562 -11.345 1.00 0.00 C ATOM 1499 OG SER A 93 -7.801 11.642 -12.259 1.00 0.00 O ATOM 0 H SER A 93 -6.100 11.104 -9.549 1.00 0.00 H new ATOM 0 HA SER A 93 -8.816 11.858 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.700 10.184 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.354 9.743 -11.689 1.00 0.00 H new ATOM 0 HG SER A 93 -7.516 11.341 -13.147 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.211 8.794 -8.924 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.822 7.644 -8.269 1.00 0.00 C ATOM 1507 C VAL A 94 -9.738 8.083 -7.131 1.00 0.00 C ATOM 1508 O VAL A 94 -10.927 7.762 -7.118 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.756 6.682 -7.712 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.397 5.632 -6.818 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.984 6.028 -8.849 1.00 0.00 C ATOM 0 H VAL A 94 -7.209 8.701 -9.091 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.409 7.124 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.053 7.256 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.628 4.962 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.900 6.122 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.123 5.058 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.235 5.351 -8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.672 5.467 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.491 6.797 -9.444 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.177 8.819 -6.178 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.943 9.303 -5.035 1.00 0.00 C ATOM 1523 C LEU A 95 -11.151 10.115 -5.494 1.00 0.00 C ATOM 1524 O LEU A 95 -12.189 10.129 -4.833 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.056 10.156 -4.126 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.751 9.508 -3.662 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.843 10.541 -3.014 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.036 8.366 -2.698 1.00 0.00 C ATOM 0 H LEU A 95 -8.195 9.094 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.301 8.438 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.813 11.079 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.634 10.434 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.239 9.101 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.919 10.061 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.611 11.325 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.346 10.978 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.096 7.917 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.570 8.749 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.647 7.613 -3.196 1.00 0.00 H new ATOM 1540 N SER A 96 -11.007 10.789 -6.631 1.00 0.00 N ATOM 1541 CA SER A 96 -12.085 11.604 -7.177 1.00 0.00 C ATOM 1542 C SER A 96 -13.197 10.727 -7.744 1.00 0.00 C ATOM 1543 O SER A 96 -14.381 10.998 -7.543 1.00 0.00 O ATOM 1544 CB SER A 96 -11.548 12.534 -8.267 1.00 0.00 C ATOM 1545 OG SER A 96 -12.579 13.349 -8.796 1.00 0.00 O ATOM 0 H SER A 96 -10.155 10.786 -7.191 1.00 0.00 H new ATOM 0 HA SER A 96 -12.498 12.205 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.758 13.163 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.101 11.943 -9.066 1.00 0.00 H new ATOM 0 HG SER A 96 -12.210 13.935 -9.489 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.806 9.673 -8.454 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.768 8.756 -9.053 1.00 0.00 C ATOM 1553 C ARG A 97 -14.427 7.888 -7.985 1.00 0.00 C ATOM 1554 O ARG A 97 -15.566 7.447 -8.143 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.081 7.869 -10.093 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.082 8.614 -10.963 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.967 7.985 -12.343 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.203 8.115 -13.109 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.373 7.604 -14.323 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.390 6.931 -14.906 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.528 7.764 -14.957 1.00 0.00 N ATOM 0 H ARG A 97 -11.830 9.433 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.540 9.348 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.568 7.054 -9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.840 7.417 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.389 9.655 -11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.105 8.614 -10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.151 8.457 -12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.714 6.930 -12.240 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.979 8.627 -12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.501 6.805 -14.422 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.523 6.539 -15.838 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.287 8.280 -14.512 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.657 7.371 -15.889 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.704 7.645 -6.897 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.217 6.830 -5.802 1.00 0.00 C ATOM 1577 C LYS A 98 -15.034 7.677 -4.831 1.00 0.00 C ATOM 1578 O LYS A 98 -16.233 7.455 -4.655 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.064 6.152 -5.059 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.225 5.242 -5.939 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.997 4.000 -6.353 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.287 3.249 -7.470 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.487 3.904 -8.792 1.00 0.00 N ATOM 0 H LYS A 98 -12.760 8.001 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.867 6.064 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.421 6.918 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.469 5.570 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.906 5.787 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.322 4.949 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.120 3.343 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.996 4.284 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.221 3.193 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.658 2.225 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.031 3.335 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.505 3.981 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.065 4.854 -8.776 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.379 8.647 -4.204 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.045 9.529 -3.251 1.00 0.00 C ATOM 1599 C LEU A 99 -15.995 10.484 -3.966 1.00 0.00 C ATOM 1600 O LEU A 99 -15.581 11.528 -4.466 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.010 10.323 -2.452 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.886 9.508 -1.812 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.656 10.375 -1.592 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.352 8.896 -0.499 1.00 0.00 C ATOM 0 H LEU A 99 -13.387 8.843 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.627 8.912 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.562 11.065 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.529 10.869 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.617 8.699 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.867 9.778 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.309 10.764 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.909 11.206 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.539 8.319 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.649 9.689 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.203 8.240 -0.685 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.272 10.119 -4.007 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.283 10.945 -4.659 1.00 0.00 C ATOM 1618 C ASN A 100 -18.645 12.146 -3.791 1.00 0.00 C ATOM 1619 O ASN A 100 -18.644 13.284 -4.259 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.535 10.117 -4.953 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.429 9.351 -6.257 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -19.124 8.158 -6.266 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -19.679 10.035 -7.368 1.00 0.00 N ATOM 0 H ASN A 100 -17.632 9.257 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.869 11.310 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.704 9.416 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.402 10.776 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.622 9.573 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.928 11.023 -7.314 1.00 0.00 H new