USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 542 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 Single : A 34 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.16) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 44 CYS SG : rot 108:sc= -0.667 USER MOD Single : A 46 SER OG : rot -24:sc= 0.365 USER MOD Single : A 47 THR OG1 : rot -59:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 57 CYS SG : rot -11:sc= -2.2! USER MOD Single : A 58 GLN : amide:sc= -0.0664 K(o=-0.066,f=-0.71) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0814 K(o=-0.081,f=-0.74) USER MOD Single : A 78 CYS SG : rot 73:sc= 0.852 USER MOD Single : A 79 GLN : amide:sc= -0.6 K(o=-0.6,f=0) USER MOD Single : A 82 CYS SG : rot 65:sc= -1.13 USER MOD Single : A 87 ASN : amide:sc= -0.0348 K(o=-0.035,f=-1.9!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= -0.129 (180deg=-0.129) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0258 (180deg=-0.198) USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= -0.0396 (180deg=-0.564) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0695) USER MOD Single : A 99 MET CE :methyl -134:sc= 0 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 142 N GLN A 34 -6.740 -5.582 8.641 1.00 0.00 N ATOM 143 CA GLN A 34 -6.509 -6.968 9.032 1.00 0.00 C ATOM 144 C GLN A 34 -5.620 -7.685 8.019 1.00 0.00 C ATOM 145 O GLN A 34 -5.365 -8.883 8.145 1.00 0.00 O ATOM 146 CB GLN A 34 -7.841 -7.706 9.172 1.00 0.00 C ATOM 147 CG GLN A 34 -8.767 -7.099 10.213 1.00 0.00 C ATOM 148 CD GLN A 34 -8.164 -7.103 11.604 1.00 0.00 C ATOM 149 OE1 GLN A 34 -7.494 -6.151 12.007 1.00 0.00 O ATOM 150 NE2 GLN A 34 -8.397 -8.180 12.347 1.00 0.00 N ATOM 0 HA GLN A 34 -5.997 -6.966 9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.347 -7.711 8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.645 -8.746 9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.006 -6.075 9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.705 -7.653 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.958 -8.946 11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.015 -8.241 13.291 1.00 0.00 H new ATOM 159 N TRP A 35 -5.151 -6.948 7.015 1.00 0.00 N ATOM 160 CA TRP A 35 -4.286 -7.520 5.986 1.00 0.00 C ATOM 161 C TRP A 35 -2.966 -7.996 6.583 1.00 0.00 C ATOM 162 O TRP A 35 -2.610 -7.630 7.703 1.00 0.00 O ATOM 163 CB TRP A 35 -4.016 -6.494 4.879 1.00 0.00 C ATOM 164 CG TRP A 35 -5.075 -6.445 3.814 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.141 -7.288 3.665 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.158 -5.501 2.739 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.882 -6.922 2.567 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.298 -5.827 1.982 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.378 -4.408 2.346 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.677 -5.101 0.855 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.756 -3.689 1.227 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.896 -4.038 0.494 1.00 0.00 C ATOM 0 H TRP A 35 -5.355 -5.956 6.892 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.802 -8.379 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.923 -5.506 5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.058 -6.723 4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.368 -8.120 4.315 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.728 -7.388 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.497 -4.131 2.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.556 -5.368 0.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -4.161 -2.844 0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -6.165 -3.456 -0.375 1.00 0.00 H new ATOM 183 N SER A 36 -2.243 -8.816 5.823 1.00 0.00 N ATOM 184 CA SER A 36 -0.960 -9.346 6.272 1.00 0.00 C ATOM 185 C SER A 36 0.179 -8.806 5.412 1.00 0.00 C ATOM 186 O SER A 36 -0.032 -7.943 4.560 1.00 0.00 O ATOM 187 CB SER A 36 -0.972 -10.875 6.224 1.00 0.00 C ATOM 188 OG SER A 36 -2.000 -11.403 7.042 1.00 0.00 O ATOM 0 H SER A 36 -2.525 -9.127 4.893 1.00 0.00 H new ATOM 0 HA SER A 36 -0.799 -9.024 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.114 -11.208 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.007 -11.260 6.554 1.00 0.00 H new ATOM 0 HG SER A 36 -1.987 -12.382 6.992 1.00 0.00 H new ATOM 194 N VAL A 37 1.385 -9.318 5.639 1.00 0.00 N ATOM 195 CA VAL A 37 2.554 -8.882 4.885 1.00 0.00 C ATOM 196 C VAL A 37 2.414 -9.226 3.403 1.00 0.00 C ATOM 197 O VAL A 37 2.783 -8.433 2.537 1.00 0.00 O ATOM 198 CB VAL A 37 3.849 -9.517 5.433 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.044 -9.148 4.566 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.086 -9.092 6.874 1.00 0.00 C ATOM 0 H VAL A 37 1.577 -10.035 6.339 1.00 0.00 H new ATOM 0 HA VAL A 37 2.617 -7.800 4.998 1.00 0.00 H new ATOM 0 HB VAL A 37 3.731 -10.600 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.945 -9.608 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.881 -9.507 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.164 -8.065 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.004 -9.550 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.177 -8.007 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.247 -9.414 7.491 1.00 0.00 H new ATOM 210 N ASP A 38 1.876 -10.408 3.120 1.00 0.00 N ATOM 211 CA ASP A 38 1.693 -10.858 1.742 1.00 0.00 C ATOM 212 C ASP A 38 0.645 -10.019 1.015 1.00 0.00 C ATOM 213 O ASP A 38 0.756 -9.777 -0.186 1.00 0.00 O ATOM 214 CB ASP A 38 1.284 -12.331 1.718 1.00 0.00 C ATOM 215 CG ASP A 38 1.045 -12.840 0.310 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.013 -13.312 -0.323 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.110 -12.767 -0.159 1.00 0.00 O ATOM 0 H ASP A 38 1.559 -11.073 3.826 1.00 0.00 H new ATOM 0 HA ASP A 38 2.644 -10.736 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.063 -12.930 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.377 -12.464 2.308 1.00 0.00 H new ATOM 222 N ASP A 39 -0.371 -9.578 1.749 1.00 0.00 N ATOM 223 CA ASP A 39 -1.443 -8.775 1.170 1.00 0.00 C ATOM 224 C ASP A 39 -0.960 -7.374 0.803 1.00 0.00 C ATOM 225 O ASP A 39 -1.234 -6.882 -0.292 1.00 0.00 O ATOM 226 CB ASP A 39 -2.617 -8.681 2.144 1.00 0.00 C ATOM 227 CG ASP A 39 -3.245 -10.032 2.425 1.00 0.00 C ATOM 228 OD1 ASP A 39 -4.178 -10.418 1.689 1.00 0.00 O ATOM 229 OD2 ASP A 39 -2.802 -10.706 3.380 1.00 0.00 O ATOM 0 H ASP A 39 -0.475 -9.763 2.747 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.769 -9.269 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.274 -8.241 3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.372 -8.010 1.734 1.00 0.00 H new ATOM 234 N VAL A 40 -0.239 -6.738 1.721 1.00 0.00 N ATOM 235 CA VAL A 40 0.272 -5.389 1.493 1.00 0.00 C ATOM 236 C VAL A 40 1.284 -5.359 0.351 1.00 0.00 C ATOM 237 O VAL A 40 1.212 -4.501 -0.529 1.00 0.00 O ATOM 238 CB VAL A 40 0.930 -4.816 2.765 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.481 -3.421 2.506 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.063 -4.798 3.916 1.00 0.00 C ATOM 0 H VAL A 40 0.005 -7.134 2.629 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.585 -4.772 1.224 1.00 0.00 H new ATOM 0 HB VAL A 40 1.763 -5.462 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.940 -3.036 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.228 -3.466 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.669 -2.760 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.418 -4.391 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.918 -4.177 3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.402 -5.814 4.120 1.00 0.00 H new ATOM 250 N ILE A 41 2.224 -6.297 0.372 1.00 0.00 N ATOM 251 CA ILE A 41 3.257 -6.370 -0.657 1.00 0.00 C ATOM 252 C ILE A 41 2.661 -6.632 -2.038 1.00 0.00 C ATOM 253 O ILE A 41 2.834 -5.832 -2.958 1.00 0.00 O ATOM 254 CB ILE A 41 4.289 -7.472 -0.342 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.051 -7.136 0.942 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.253 -7.646 -1.508 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.986 -8.236 1.397 1.00 0.00 C ATOM 0 H ILE A 41 2.293 -7.018 1.090 1.00 0.00 H new ATOM 0 HA ILE A 41 3.754 -5.400 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 41 3.759 -8.413 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.626 -6.223 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.334 -6.928 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.975 -8.427 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.696 -7.927 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.779 -6.709 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.492 -7.928 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.414 -9.144 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.726 -8.429 0.620 1.00 0.00 H new ATOM 269 N THR A 42 1.968 -7.759 -2.178 1.00 0.00 N ATOM 270 CA THR A 42 1.360 -8.135 -3.452 1.00 0.00 C ATOM 271 C THR A 42 0.545 -6.991 -4.050 1.00 0.00 C ATOM 272 O THR A 42 0.799 -6.564 -5.175 1.00 0.00 O ATOM 273 CB THR A 42 0.452 -9.370 -3.304 1.00 0.00 C ATOM 274 OG1 THR A 42 1.198 -10.462 -2.753 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.127 -9.777 -4.652 1.00 0.00 C ATOM 0 H THR A 42 1.813 -8.429 -1.424 1.00 0.00 H new ATOM 0 HA THR A 42 2.184 -8.374 -4.124 1.00 0.00 H new ATOM 0 HB THR A 42 -0.368 -9.114 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.175 -10.413 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.765 -10.651 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.715 -8.954 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.684 -10.017 -5.339 1.00 0.00 H new ATOM 283 N TRP A 43 -0.435 -6.502 -3.294 1.00 0.00 N ATOM 284 CA TRP A 43 -1.285 -5.412 -3.760 1.00 0.00 C ATOM 285 C TRP A 43 -0.450 -4.206 -4.180 1.00 0.00 C ATOM 286 O TRP A 43 -0.743 -3.556 -5.184 1.00 0.00 O ATOM 287 CB TRP A 43 -2.274 -4.997 -2.670 1.00 0.00 C ATOM 288 CG TRP A 43 -3.108 -3.813 -3.053 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.263 -3.823 -3.782 1.00 0.00 C ATOM 290 CD2 TRP A 43 -2.848 -2.441 -2.733 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.738 -2.543 -3.932 1.00 0.00 N ATOM 292 CE2 TRP A 43 -3.888 -1.676 -3.296 1.00 0.00 C ATOM 293 CE3 TRP A 43 -1.840 -1.786 -2.022 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -3.945 -0.291 -3.171 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -1.898 -0.409 -1.899 1.00 0.00 C ATOM 296 CH2 TRP A 43 -2.944 0.324 -2.470 1.00 0.00 C ATOM 0 H TRP A 43 -0.659 -6.843 -2.359 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.839 -5.772 -4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.930 -5.838 -2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.724 -4.767 -1.757 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.734 -4.709 -4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.586 -2.280 -4.435 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.030 -2.344 -1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.750 0.278 -3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.123 0.109 -1.353 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.962 1.398 -2.355 1.00 0.00 H new ATOM 307 N CYS A 44 0.587 -3.912 -3.404 1.00 0.00 N ATOM 308 CA CYS A 44 1.460 -2.783 -3.694 1.00 0.00 C ATOM 309 C CYS A 44 2.084 -2.920 -5.079 1.00 0.00 C ATOM 310 O CYS A 44 1.758 -2.164 -5.992 1.00 0.00 O ATOM 311 CB CYS A 44 2.557 -2.675 -2.633 1.00 0.00 C ATOM 312 SG CYS A 44 3.636 -1.238 -2.828 1.00 0.00 S ATOM 0 H CYS A 44 0.843 -4.440 -2.570 1.00 0.00 H new ATOM 0 HA CYS A 44 0.858 -1.875 -3.676 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.092 -2.635 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.165 -3.579 -2.662 1.00 0.00 H new ATOM 0 HG CYS A 44 3.370 -0.367 -1.900 1.00 0.00 H new ATOM 318 N ILE A 45 2.974 -3.896 -5.224 1.00 0.00 N ATOM 319 CA ILE A 45 3.655 -4.147 -6.493 1.00 0.00 C ATOM 320 C ILE A 45 2.658 -4.330 -7.638 1.00 0.00 C ATOM 321 O ILE A 45 2.976 -4.068 -8.799 1.00 0.00 O ATOM 322 CB ILE A 45 4.540 -5.406 -6.398 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.481 -5.306 -5.196 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.331 -5.599 -7.683 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.196 -6.603 -4.876 1.00 0.00 C ATOM 0 H ILE A 45 3.243 -4.532 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 45 4.275 -3.275 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 45 3.895 -6.274 -6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.222 -4.530 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.910 -4.991 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.950 -6.492 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.643 -5.713 -8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.968 -4.731 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.846 -6.457 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.462 -7.377 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.795 -6.909 -5.733 1.00 0.00 H new ATOM 337 N SER A 46 1.453 -4.775 -7.300 1.00 0.00 N ATOM 338 CA SER A 46 0.410 -5.007 -8.294 1.00 0.00 C ATOM 339 C SER A 46 0.003 -3.719 -9.004 1.00 0.00 C ATOM 340 O SER A 46 -0.684 -3.760 -10.025 1.00 0.00 O ATOM 341 CB SER A 46 -0.816 -5.641 -7.634 1.00 0.00 C ATOM 342 OG SER A 46 -1.849 -5.857 -8.580 1.00 0.00 O ATOM 0 H SER A 46 1.173 -4.983 -6.342 1.00 0.00 H new ATOM 0 HA SER A 46 0.818 -5.687 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.536 -6.589 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.179 -4.994 -6.836 1.00 0.00 H new ATOM 0 HG SER A 46 -1.734 -5.244 -9.336 1.00 0.00 H new ATOM 348 N THR A 47 0.427 -2.575 -8.470 1.00 0.00 N ATOM 349 CA THR A 47 0.077 -1.291 -9.069 1.00 0.00 C ATOM 350 C THR A 47 0.908 -0.140 -8.500 1.00 0.00 C ATOM 351 O THR A 47 0.471 1.010 -8.515 1.00 0.00 O ATOM 352 CB THR A 47 -1.418 -0.977 -8.853 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.750 0.288 -9.439 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.760 -0.964 -7.371 1.00 0.00 C ATOM 0 H THR A 47 1.007 -2.512 -7.633 1.00 0.00 H new ATOM 0 HA THR A 47 0.292 -1.379 -10.134 1.00 0.00 H new ATOM 0 HB THR A 47 -2.001 -1.760 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.205 0.992 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.819 -0.740 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.541 -1.940 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.165 -0.202 -6.867 1.00 0.00 H new ATOM 362 N LEU A 48 2.109 -0.437 -8.011 1.00 0.00 N ATOM 363 CA LEU A 48 2.958 0.609 -7.446 1.00 0.00 C ATOM 364 C LEU A 48 3.852 1.228 -8.516 1.00 0.00 C ATOM 365 O LEU A 48 3.646 2.374 -8.917 1.00 0.00 O ATOM 366 CB LEU A 48 3.824 0.039 -6.315 1.00 0.00 C ATOM 367 CG LEU A 48 4.325 1.053 -5.278 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.277 2.059 -5.908 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.154 1.766 -4.619 1.00 0.00 C ATOM 0 H LEU A 48 2.511 -1.374 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 48 2.308 1.387 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.250 -0.729 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.688 -0.455 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 48 4.874 0.506 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.615 2.764 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.137 1.535 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.762 2.600 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.529 2.481 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.575 2.293 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.517 1.035 -4.120 1.00 0.00 H new ATOM 381 N GLU A 49 4.841 0.469 -8.973 1.00 0.00 N ATOM 382 CA GLU A 49 5.758 0.957 -9.996 1.00 0.00 C ATOM 383 C GLU A 49 6.172 -0.149 -10.962 1.00 0.00 C ATOM 384 O GLU A 49 5.939 -0.056 -12.168 1.00 0.00 O ATOM 385 CB GLU A 49 6.997 1.573 -9.344 1.00 0.00 C ATOM 386 CG GLU A 49 7.992 2.149 -10.339 1.00 0.00 C ATOM 387 CD GLU A 49 7.382 3.218 -11.225 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.311 4.385 -10.784 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.975 2.890 -12.359 1.00 0.00 O ATOM 0 H GLU A 49 5.028 -0.481 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 49 5.233 1.720 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.682 2.362 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.496 0.812 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.838 2.571 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.382 1.345 -10.963 1.00 0.00 H new ATOM 396 N VAL A 50 6.786 -1.199 -10.419 1.00 0.00 N ATOM 397 CA VAL A 50 7.268 -2.312 -11.231 1.00 0.00 C ATOM 398 C VAL A 50 6.532 -3.613 -10.919 1.00 0.00 C ATOM 399 O VAL A 50 5.466 -3.609 -10.302 1.00 0.00 O ATOM 400 CB VAL A 50 8.779 -2.525 -11.011 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.546 -1.246 -11.310 1.00 0.00 C ATOM 402 CG2 VAL A 50 9.053 -2.993 -9.588 1.00 0.00 C ATOM 0 H VAL A 50 6.961 -1.301 -9.419 1.00 0.00 H new ATOM 0 HA VAL A 50 7.075 -2.050 -12.271 1.00 0.00 H new ATOM 0 HB VAL A 50 9.120 -3.300 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.611 -1.414 -11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.377 -0.954 -12.347 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.201 -0.452 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.125 -3.138 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.696 -2.242 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.534 -3.935 -9.408 1.00 0.00 H new ATOM 412 N GLU A 51 7.121 -4.727 -11.355 1.00 0.00 N ATOM 413 CA GLU A 51 6.546 -6.049 -11.132 1.00 0.00 C ATOM 414 C GLU A 51 7.222 -6.724 -9.945 1.00 0.00 C ATOM 415 O GLU A 51 8.038 -6.108 -9.259 1.00 0.00 O ATOM 416 CB GLU A 51 6.716 -6.911 -12.383 1.00 0.00 C ATOM 417 CG GLU A 51 8.158 -7.007 -12.858 1.00 0.00 C ATOM 418 CD GLU A 51 8.329 -7.971 -14.015 1.00 0.00 C ATOM 419 OE1 GLU A 51 8.381 -9.193 -13.766 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.412 -7.503 -15.170 1.00 0.00 O ATOM 0 H GLU A 51 8.002 -4.737 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 51 5.483 -5.936 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.341 -7.914 -12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.103 -6.499 -13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.503 -6.018 -13.160 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.789 -7.326 -12.028 1.00 0.00 H new ATOM 427 N GLU A 52 6.885 -7.988 -9.698 1.00 0.00 N ATOM 428 CA GLU A 52 7.477 -8.715 -8.581 1.00 0.00 C ATOM 429 C GLU A 52 8.884 -9.192 -8.931 1.00 0.00 C ATOM 430 O GLU A 52 9.111 -10.375 -9.188 1.00 0.00 O ATOM 431 CB GLU A 52 6.597 -9.904 -8.187 1.00 0.00 C ATOM 432 CG GLU A 52 7.106 -10.665 -6.972 1.00 0.00 C ATOM 433 CD GLU A 52 6.268 -11.888 -6.655 1.00 0.00 C ATOM 434 OE1 GLU A 52 6.516 -12.952 -7.262 1.00 0.00 O ATOM 435 OE2 GLU A 52 5.366 -11.784 -5.797 1.00 0.00 O ATOM 0 H GLU A 52 6.214 -8.523 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 52 7.545 -8.035 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.588 -9.546 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.528 -10.590 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.137 -10.971 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.112 -10.000 -6.108 1.00 0.00 H new ATOM 442 N THR A 53 9.820 -8.249 -8.952 1.00 0.00 N ATOM 443 CA THR A 53 11.215 -8.544 -9.251 1.00 0.00 C ATOM 444 C THR A 53 12.131 -7.682 -8.393 1.00 0.00 C ATOM 445 O THR A 53 13.098 -8.165 -7.804 1.00 0.00 O ATOM 446 CB THR A 53 11.543 -8.302 -10.737 1.00 0.00 C ATOM 447 OG1 THR A 53 11.350 -6.919 -11.062 1.00 0.00 O ATOM 448 CG2 THR A 53 10.669 -9.165 -11.633 1.00 0.00 C ATOM 0 H THR A 53 9.634 -7.264 -8.763 1.00 0.00 H new ATOM 0 HA THR A 53 11.378 -9.598 -9.028 1.00 0.00 H new ATOM 0 HB THR A 53 12.585 -8.573 -10.905 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.562 -6.772 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.920 -8.976 -12.677 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.840 -10.217 -11.404 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.620 -8.922 -11.462 1.00 0.00 H new ATOM 456 N ASP A 54 11.805 -6.394 -8.337 1.00 0.00 N ATOM 457 CA ASP A 54 12.573 -5.424 -7.566 1.00 0.00 C ATOM 458 C ASP A 54 12.567 -5.776 -6.075 1.00 0.00 C ATOM 459 O ASP A 54 11.578 -6.299 -5.561 1.00 0.00 O ATOM 460 CB ASP A 54 11.988 -4.026 -7.786 1.00 0.00 C ATOM 461 CG ASP A 54 12.720 -2.950 -7.009 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.706 -2.400 -7.541 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.308 -2.656 -5.867 1.00 0.00 O ATOM 0 H ASP A 54 11.003 -5.995 -8.824 1.00 0.00 H new ATOM 0 HA ASP A 54 13.608 -5.444 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.023 -3.787 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.938 -4.027 -7.494 1.00 0.00 H new ATOM 468 N PRO A 55 13.680 -5.499 -5.361 1.00 0.00 N ATOM 469 CA PRO A 55 13.800 -5.786 -3.921 1.00 0.00 C ATOM 470 C PRO A 55 12.734 -5.091 -3.073 1.00 0.00 C ATOM 471 O PRO A 55 12.726 -5.227 -1.850 1.00 0.00 O ATOM 472 CB PRO A 55 15.189 -5.251 -3.560 1.00 0.00 C ATOM 473 CG PRO A 55 15.937 -5.228 -4.847 1.00 0.00 C ATOM 474 CD PRO A 55 14.919 -4.907 -5.902 1.00 0.00 C ATOM 0 HA PRO A 55 13.663 -6.849 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.127 -4.255 -3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.681 -5.892 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.729 -4.479 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.412 -6.190 -5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.820 -3.832 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.186 -5.341 -6.866 1.00 0.00 H new ATOM 482 N LEU A 56 11.851 -4.336 -3.722 1.00 0.00 N ATOM 483 CA LEU A 56 10.783 -3.627 -3.021 1.00 0.00 C ATOM 484 C LEU A 56 10.064 -4.554 -2.041 1.00 0.00 C ATOM 485 O LEU A 56 9.761 -4.168 -0.913 1.00 0.00 O ATOM 486 CB LEU A 56 9.782 -3.056 -4.028 1.00 0.00 C ATOM 487 CG LEU A 56 8.658 -2.210 -3.427 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.163 -0.819 -3.074 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.484 -2.124 -4.390 1.00 0.00 C ATOM 0 H LEU A 56 11.854 -4.199 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 56 11.231 -2.809 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.326 -2.447 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.336 -3.883 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 56 8.318 -2.692 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.348 -0.233 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.971 -0.899 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.532 -0.327 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.693 -1.519 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.812 -1.666 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.104 -3.126 -4.591 1.00 0.00 H new ATOM 501 N CYS A 57 9.803 -5.782 -2.482 1.00 0.00 N ATOM 502 CA CYS A 57 9.120 -6.769 -1.652 1.00 0.00 C ATOM 503 C CYS A 57 9.969 -7.166 -0.449 1.00 0.00 C ATOM 504 O CYS A 57 9.443 -7.451 0.626 1.00 0.00 O ATOM 505 CB CYS A 57 8.784 -8.011 -2.481 1.00 0.00 C ATOM 506 SG CYS A 57 8.264 -9.437 -1.498 1.00 0.00 S ATOM 0 H CYS A 57 10.055 -6.117 -3.412 1.00 0.00 H new ATOM 0 HA CYS A 57 8.199 -6.317 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.991 -7.761 -3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.658 -8.289 -3.070 1.00 0.00 H new ATOM 0 HG CYS A 57 8.490 -9.202 -0.239 1.00 0.00 H new ATOM 512 N GLN A 58 11.285 -7.186 -0.637 1.00 0.00 N ATOM 513 CA GLN A 58 12.204 -7.555 0.433 1.00 0.00 C ATOM 514 C GLN A 58 12.088 -6.594 1.614 1.00 0.00 C ATOM 515 O GLN A 58 11.855 -7.018 2.745 1.00 0.00 O ATOM 516 CB GLN A 58 13.643 -7.575 -0.084 1.00 0.00 C ATOM 517 CG GLN A 58 13.862 -8.548 -1.232 1.00 0.00 C ATOM 518 CD GLN A 58 13.600 -9.989 -0.834 1.00 0.00 C ATOM 519 OE1 GLN A 58 13.785 -10.370 0.322 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.169 -10.798 -1.795 1.00 0.00 N ATOM 0 H GLN A 58 11.738 -6.951 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 58 11.934 -8.554 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.917 -6.572 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.312 -7.837 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.207 -8.279 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.887 -8.455 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.030 -10.439 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.977 -11.778 -1.589 1.00 0.00 H new ATOM 529 N ARG A 59 12.248 -5.301 1.343 1.00 0.00 N ATOM 530 CA ARG A 59 12.163 -4.284 2.387 1.00 0.00 C ATOM 531 C ARG A 59 10.827 -4.357 3.120 1.00 0.00 C ATOM 532 O ARG A 59 10.785 -4.390 4.349 1.00 0.00 O ATOM 533 CB ARG A 59 12.354 -2.888 1.789 1.00 0.00 C ATOM 534 CG ARG A 59 13.675 -2.704 1.066 1.00 0.00 C ATOM 535 CD ARG A 59 14.854 -2.888 2.003 1.00 0.00 C ATOM 536 NE ARG A 59 14.842 -1.923 3.099 1.00 0.00 N ATOM 537 CZ ARG A 59 15.533 -2.075 4.225 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.291 -3.148 4.403 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.467 -1.153 5.175 1.00 0.00 N ATOM 0 H ARG A 59 12.437 -4.933 0.411 1.00 0.00 H new ATOM 0 HA ARG A 59 12.959 -4.477 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.539 -2.687 1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.282 -2.149 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.745 -3.420 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.713 -1.709 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.838 -3.899 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.782 -2.786 1.441 1.00 0.00 H new ATOM 0 HE ARG A 59 14.271 -1.084 2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.346 -3.860 3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.820 -3.261 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.886 -0.325 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.998 -1.271 6.038 1.00 0.00 H new ATOM 553 N LEU A 60 9.737 -4.379 2.358 1.00 0.00 N ATOM 554 CA LEU A 60 8.398 -4.449 2.937 1.00 0.00 C ATOM 555 C LEU A 60 8.236 -5.700 3.795 1.00 0.00 C ATOM 556 O LEU A 60 7.550 -5.679 4.817 1.00 0.00 O ATOM 557 CB LEU A 60 7.337 -4.431 1.833 1.00 0.00 C ATOM 558 CG LEU A 60 6.883 -3.039 1.384 1.00 0.00 C ATOM 559 CD1 LEU A 60 8.053 -2.240 0.829 1.00 0.00 C ATOM 560 CD2 LEU A 60 5.776 -3.153 0.346 1.00 0.00 C ATOM 0 H LEU A 60 9.754 -4.349 1.339 1.00 0.00 H new ATOM 0 HA LEU A 60 8.263 -3.575 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.729 -4.964 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.465 -4.985 2.181 1.00 0.00 H new ATOM 0 HG LEU A 60 6.493 -2.510 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.706 -1.255 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.816 -2.128 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.477 -2.763 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.463 -2.156 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.144 -3.703 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.926 -3.682 0.777 1.00 0.00 H new ATOM 572 N ARG A 61 8.870 -6.790 3.372 1.00 0.00 N ATOM 573 CA ARG A 61 8.796 -8.052 4.102 1.00 0.00 C ATOM 574 C ARG A 61 9.602 -7.980 5.396 1.00 0.00 C ATOM 575 O ARG A 61 9.268 -8.634 6.384 1.00 0.00 O ATOM 576 CB ARG A 61 9.305 -9.201 3.229 1.00 0.00 C ATOM 577 CG ARG A 61 9.138 -10.572 3.866 1.00 0.00 C ATOM 578 CD ARG A 61 9.665 -11.676 2.962 1.00 0.00 C ATOM 579 NE ARG A 61 9.420 -13.004 3.518 1.00 0.00 N ATOM 580 CZ ARG A 61 9.968 -14.119 3.041 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.794 -14.064 2.004 1.00 0.00 N ATOM 582 NH2 ARG A 61 9.691 -15.288 3.600 1.00 0.00 N ATOM 0 H ARG A 61 9.441 -6.825 2.527 1.00 0.00 H new ATOM 0 HA ARG A 61 7.752 -8.236 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.774 -9.185 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.360 -9.038 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.666 -10.598 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.084 -10.748 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.191 -11.600 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.736 -11.539 2.809 1.00 0.00 H new ATOM 0 HE ARG A 61 8.792 -13.081 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.010 -13.166 1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.213 -14.920 1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.057 -15.334 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.112 -16.141 3.233 1.00 0.00 H new ATOM 596 N GLU A 62 10.664 -7.179 5.384 1.00 0.00 N ATOM 597 CA GLU A 62 11.516 -7.021 6.559 1.00 0.00 C ATOM 598 C GLU A 62 10.774 -6.286 7.668 1.00 0.00 C ATOM 599 O GLU A 62 10.785 -6.711 8.824 1.00 0.00 O ATOM 600 CB GLU A 62 12.793 -6.263 6.196 1.00 0.00 C ATOM 601 CG GLU A 62 13.740 -7.055 5.311 1.00 0.00 C ATOM 602 CD GLU A 62 14.957 -6.251 4.894 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.902 -6.144 5.704 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.965 -5.729 3.760 1.00 0.00 O ATOM 0 H GLU A 62 10.955 -6.630 4.575 1.00 0.00 H new ATOM 0 HA GLU A 62 11.785 -8.015 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.524 -5.337 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.313 -5.984 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.065 -7.950 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.207 -7.388 4.421 1.00 0.00 H new ATOM 611 N ASN A 63 10.131 -5.181 7.309 1.00 0.00 N ATOM 612 CA ASN A 63 9.379 -4.389 8.273 1.00 0.00 C ATOM 613 C ASN A 63 7.882 -4.627 8.113 1.00 0.00 C ATOM 614 O ASN A 63 7.203 -3.905 7.382 1.00 0.00 O ATOM 615 CB ASN A 63 9.692 -2.902 8.104 1.00 0.00 C ATOM 616 CG ASN A 63 11.177 -2.609 8.191 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.712 -2.361 9.273 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.853 -2.636 7.047 1.00 0.00 N ATOM 0 H ASN A 63 10.116 -4.814 6.358 1.00 0.00 H new ATOM 0 HA ASN A 63 9.677 -4.700 9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.313 -2.561 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.167 -2.334 8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.855 -2.447 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.370 -2.846 6.174 1.00 0.00 H new ATOM 625 N ASP A 64 7.376 -5.654 8.789 1.00 0.00 N ATOM 626 CA ASP A 64 5.959 -5.988 8.725 1.00 0.00 C ATOM 627 C ASP A 64 5.100 -4.823 9.209 1.00 0.00 C ATOM 628 O ASP A 64 5.096 -4.488 10.393 1.00 0.00 O ATOM 629 CB ASP A 64 5.669 -7.237 9.564 1.00 0.00 C ATOM 630 CG ASP A 64 6.156 -7.102 10.993 1.00 0.00 C ATOM 631 OD1 ASP A 64 7.355 -7.350 11.238 1.00 0.00 O ATOM 632 OD2 ASP A 64 5.337 -6.749 11.867 1.00 0.00 O ATOM 0 H ASP A 64 7.927 -6.269 9.387 1.00 0.00 H new ATOM 0 HA ASP A 64 5.707 -6.191 7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.596 -7.428 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.146 -8.101 9.101 1.00 0.00 H new ATOM 637 N ILE A 65 4.378 -4.205 8.279 1.00 0.00 N ATOM 638 CA ILE A 65 3.512 -3.077 8.605 1.00 0.00 C ATOM 639 C ILE A 65 2.092 -3.319 8.102 1.00 0.00 C ATOM 640 O ILE A 65 1.853 -3.398 6.897 1.00 0.00 O ATOM 641 CB ILE A 65 4.051 -1.762 8.002 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.430 -1.432 8.582 1.00 0.00 C ATOM 643 CG2 ILE A 65 3.078 -0.617 8.251 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.427 -1.206 10.080 1.00 0.00 C ATOM 0 H ILE A 65 4.376 -4.467 7.293 1.00 0.00 H new ATOM 0 HA ILE A 65 3.498 -2.985 9.691 1.00 0.00 H new ATOM 0 HB ILE A 65 4.152 -1.895 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.116 -2.246 8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.816 -0.539 8.090 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.477 0.300 7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.118 -0.848 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.942 -0.482 9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.439 -0.978 10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.768 -0.372 10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.072 -2.106 10.583 1.00 0.00 H new ATOM 656 N VAL A 66 1.155 -3.436 9.037 1.00 0.00 N ATOM 657 CA VAL A 66 -0.243 -3.670 8.697 1.00 0.00 C ATOM 658 C VAL A 66 -0.827 -2.483 7.935 1.00 0.00 C ATOM 659 O VAL A 66 -0.265 -1.388 7.947 1.00 0.00 O ATOM 660 CB VAL A 66 -1.084 -3.934 9.962 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.171 -2.682 10.822 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.471 -4.441 9.597 1.00 0.00 C ATOM 0 H VAL A 66 1.339 -3.372 10.038 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.279 -4.553 8.059 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.587 -4.710 10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.769 -2.891 11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.169 -2.377 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.638 -1.880 10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.044 -4.620 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.982 -3.696 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.382 -5.371 9.036 1.00 0.00 H new ATOM 672 N GLY A 67 -1.956 -2.712 7.273 1.00 0.00 N ATOM 673 CA GLY A 67 -2.603 -1.659 6.512 1.00 0.00 C ATOM 674 C GLY A 67 -3.123 -0.537 7.391 1.00 0.00 C ATOM 675 O GLY A 67 -3.424 0.553 6.904 1.00 0.00 O ATOM 0 H GLY A 67 -2.436 -3.612 7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.896 -1.251 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.431 -2.083 5.943 1.00 0.00 H new ATOM 679 N ASP A 68 -3.228 -0.804 8.689 1.00 0.00 N ATOM 680 CA ASP A 68 -3.719 0.188 9.640 1.00 0.00 C ATOM 681 C ASP A 68 -2.651 1.236 9.941 1.00 0.00 C ATOM 682 O ASP A 68 -2.935 2.270 10.547 1.00 0.00 O ATOM 683 CB ASP A 68 -4.155 -0.497 10.936 1.00 0.00 C ATOM 684 CG ASP A 68 -4.802 0.466 11.912 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.035 0.649 11.836 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.075 1.038 12.751 1.00 0.00 O ATOM 0 H ASP A 68 -2.979 -1.700 9.107 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.576 0.691 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.856 -1.298 10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.288 -0.960 11.408 1.00 0.00 H new ATOM 691 N LEU A 69 -1.424 0.964 9.509 1.00 0.00 N ATOM 692 CA LEU A 69 -0.309 1.877 9.738 1.00 0.00 C ATOM 693 C LEU A 69 0.024 2.672 8.480 1.00 0.00 C ATOM 694 O LEU A 69 0.763 3.656 8.534 1.00 0.00 O ATOM 695 CB LEU A 69 0.923 1.090 10.190 1.00 0.00 C ATOM 696 CG LEU A 69 1.029 0.816 11.695 1.00 0.00 C ATOM 697 CD1 LEU A 69 -0.316 0.407 12.280 1.00 0.00 C ATOM 698 CD2 LEU A 69 2.072 -0.262 11.955 1.00 0.00 C ATOM 0 H LEU A 69 -1.176 0.117 8.997 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.604 2.580 10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.932 0.135 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.813 1.635 9.876 1.00 0.00 H new ATOM 0 HG LEU A 69 1.338 1.738 12.188 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.206 0.220 13.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.039 1.208 12.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.667 -0.500 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.141 -0.451 13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.782 -1.180 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.040 0.071 11.582 1.00 0.00 H new ATOM 710 N LEU A 70 -0.525 2.244 7.348 1.00 0.00 N ATOM 711 CA LEU A 70 -0.277 2.912 6.075 1.00 0.00 C ATOM 712 C LEU A 70 -0.646 4.401 6.130 1.00 0.00 C ATOM 713 O LEU A 70 0.162 5.248 5.751 1.00 0.00 O ATOM 714 CB LEU A 70 -1.043 2.215 4.946 1.00 0.00 C ATOM 715 CG LEU A 70 -0.635 0.762 4.687 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.496 0.156 3.589 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.839 0.676 4.316 1.00 0.00 C ATOM 0 H LEU A 70 -1.145 1.437 7.286 1.00 0.00 H new ATOM 0 HA LEU A 70 0.792 2.845 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.107 2.241 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.904 2.785 4.027 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.791 0.193 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.193 -0.877 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.543 0.182 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.370 0.729 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.109 -0.365 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.022 1.260 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.443 1.071 5.132 1.00 0.00 H new ATOM 729 N PRO A 71 -1.864 4.750 6.599 1.00 0.00 N ATOM 730 CA PRO A 71 -2.294 6.149 6.682 1.00 0.00 C ATOM 731 C PRO A 71 -1.706 6.866 7.894 1.00 0.00 C ATOM 732 O PRO A 71 -1.718 8.095 7.965 1.00 0.00 O ATOM 733 CB PRO A 71 -3.810 6.032 6.816 1.00 0.00 C ATOM 734 CG PRO A 71 -4.016 4.751 7.543 1.00 0.00 C ATOM 735 CD PRO A 71 -2.917 3.828 7.080 1.00 0.00 C ATOM 0 HA PRO A 71 -1.966 6.733 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.227 6.874 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.296 6.018 5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.969 4.903 8.621 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.997 4.331 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.556 3.196 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.260 3.163 6.287 1.00 0.00 H new ATOM 743 N GLU A 72 -1.191 6.089 8.842 1.00 0.00 N ATOM 744 CA GLU A 72 -0.604 6.644 10.056 1.00 0.00 C ATOM 745 C GLU A 72 0.824 7.128 9.810 1.00 0.00 C ATOM 746 O GLU A 72 1.296 8.056 10.470 1.00 0.00 O ATOM 747 CB GLU A 72 -0.617 5.596 11.171 1.00 0.00 C ATOM 748 CG GLU A 72 -0.013 6.082 12.478 1.00 0.00 C ATOM 749 CD GLU A 72 -0.053 5.028 13.566 1.00 0.00 C ATOM 750 OE1 GLU A 72 0.812 4.126 13.551 1.00 0.00 O ATOM 751 OE2 GLU A 72 -0.947 5.104 14.435 1.00 0.00 O ATOM 0 H GLU A 72 -1.169 5.070 8.792 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.204 7.502 10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.646 5.284 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.071 4.715 10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.021 6.383 12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.551 6.968 12.815 1.00 0.00 H new ATOM 758 N LEU A 73 1.506 6.499 8.858 1.00 0.00 N ATOM 759 CA LEU A 73 2.881 6.869 8.533 1.00 0.00 C ATOM 760 C LEU A 73 2.920 8.024 7.538 1.00 0.00 C ATOM 761 O LEU A 73 1.896 8.406 6.973 1.00 0.00 O ATOM 762 CB LEU A 73 3.637 5.665 7.965 1.00 0.00 C ATOM 763 CG LEU A 73 3.788 4.480 8.923 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.413 3.292 8.207 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.624 4.874 10.133 1.00 0.00 C ATOM 0 H LEU A 73 1.131 5.733 8.299 1.00 0.00 H new ATOM 0 HA LEU A 73 3.366 7.194 9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.122 5.323 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.630 5.992 7.657 1.00 0.00 H new ATOM 0 HG LEU A 73 2.796 4.190 9.270 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.513 2.459 8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.777 2.994 7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.397 3.571 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.720 4.019 10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.614 5.191 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.137 5.695 10.660 1.00 0.00 H new ATOM 777 N CYS A 74 4.114 8.574 7.331 1.00 0.00 N ATOM 778 CA CYS A 74 4.296 9.687 6.406 1.00 0.00 C ATOM 779 C CYS A 74 5.160 9.268 5.219 1.00 0.00 C ATOM 780 O CYS A 74 5.504 8.096 5.075 1.00 0.00 O ATOM 781 CB CYS A 74 4.938 10.874 7.127 1.00 0.00 C ATOM 782 SG CYS A 74 3.931 11.555 8.466 1.00 0.00 S ATOM 0 H CYS A 74 4.970 8.266 7.792 1.00 0.00 H new ATOM 0 HA CYS A 74 3.316 9.985 6.033 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.900 10.562 7.533 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.139 11.662 6.401 1.00 0.00 H new ATOM 0 HG CYS A 74 4.558 12.552 9.016 1.00 0.00 H new ATOM 788 N LEU A 75 5.511 10.235 4.374 1.00 0.00 N ATOM 789 CA LEU A 75 6.331 9.965 3.198 1.00 0.00 C ATOM 790 C LEU A 75 7.731 9.505 3.596 1.00 0.00 C ATOM 791 O LEU A 75 8.472 8.962 2.777 1.00 0.00 O ATOM 792 CB LEU A 75 6.424 11.210 2.309 1.00 0.00 C ATOM 793 CG LEU A 75 5.200 11.488 1.426 1.00 0.00 C ATOM 794 CD1 LEU A 75 4.957 10.331 0.469 1.00 0.00 C ATOM 795 CD2 LEU A 75 3.965 11.748 2.278 1.00 0.00 C ATOM 0 H LEU A 75 5.240 11.212 4.483 1.00 0.00 H new ATOM 0 HA LEU A 75 5.852 9.163 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.594 12.078 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.298 11.111 1.666 1.00 0.00 H new ATOM 0 HG LEU A 75 5.401 12.384 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.085 10.547 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.830 10.198 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.781 9.418 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.110 11.943 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.760 10.875 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.140 12.613 2.918 1.00 0.00 H new ATOM 807 N GLN A 76 8.087 9.726 4.858 1.00 0.00 N ATOM 808 CA GLN A 76 9.398 9.333 5.362 1.00 0.00 C ATOM 809 C GLN A 76 9.533 7.815 5.409 1.00 0.00 C ATOM 810 O GLN A 76 10.480 7.250 4.862 1.00 0.00 O ATOM 811 CB GLN A 76 9.630 9.923 6.755 1.00 0.00 C ATOM 812 CG GLN A 76 11.001 9.607 7.331 1.00 0.00 C ATOM 813 CD GLN A 76 12.131 10.175 6.493 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.977 11.208 5.841 1.00 0.00 O ATOM 815 NE2 GLN A 76 13.275 9.501 6.505 1.00 0.00 N ATOM 0 H GLN A 76 7.486 10.175 5.549 1.00 0.00 H new ATOM 0 HA GLN A 76 10.153 9.723 4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.506 11.005 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.865 9.544 7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.067 10.007 8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.118 8.526 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.359 8.649 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.070 9.835 5.960 1.00 0.00 H new ATOM 824 N ASP A 77 8.580 7.159 6.065 1.00 0.00 N ATOM 825 CA ASP A 77 8.592 5.706 6.186 1.00 0.00 C ATOM 826 C ASP A 77 8.411 5.045 4.824 1.00 0.00 C ATOM 827 O ASP A 77 8.959 3.973 4.566 1.00 0.00 O ATOM 828 CB ASP A 77 7.490 5.243 7.141 1.00 0.00 C ATOM 829 CG ASP A 77 7.659 5.812 8.537 1.00 0.00 C ATOM 830 OD1 ASP A 77 7.238 6.965 8.763 1.00 0.00 O ATOM 831 OD2 ASP A 77 8.210 5.101 9.403 1.00 0.00 O ATOM 0 H ASP A 77 7.789 7.612 6.521 1.00 0.00 H new ATOM 0 HA ASP A 77 9.560 5.408 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.520 5.542 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.491 4.154 7.193 1.00 0.00 H new ATOM 836 N CYS A 78 7.643 5.693 3.955 1.00 0.00 N ATOM 837 CA CYS A 78 7.390 5.168 2.617 1.00 0.00 C ATOM 838 C CYS A 78 8.676 5.124 1.800 1.00 0.00 C ATOM 839 O CYS A 78 8.940 4.151 1.093 1.00 0.00 O ATOM 840 CB CYS A 78 6.347 6.028 1.901 1.00 0.00 C ATOM 841 SG CYS A 78 4.794 6.215 2.809 1.00 0.00 S ATOM 0 H CYS A 78 7.185 6.583 4.152 1.00 0.00 H new ATOM 0 HA CYS A 78 7.009 4.152 2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.770 7.016 1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.135 5.587 0.927 1.00 0.00 H new ATOM 0 HG CYS A 78 4.976 7.011 3.821 1.00 0.00 H new ATOM 847 N GLN A 79 9.474 6.183 1.904 1.00 0.00 N ATOM 848 CA GLN A 79 10.735 6.260 1.177 1.00 0.00 C ATOM 849 C GLN A 79 11.720 5.224 1.706 1.00 0.00 C ATOM 850 O GLN A 79 12.511 4.659 0.950 1.00 0.00 O ATOM 851 CB GLN A 79 11.333 7.663 1.297 1.00 0.00 C ATOM 852 CG GLN A 79 12.422 7.950 0.277 1.00 0.00 C ATOM 853 CD GLN A 79 12.954 9.367 0.378 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.913 9.631 1.103 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.329 10.288 -0.348 1.00 0.00 N ATOM 0 H GLN A 79 9.270 6.997 2.483 1.00 0.00 H new ATOM 0 HA GLN A 79 10.539 6.050 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.537 8.399 1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.743 7.790 2.299 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.242 7.246 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.029 7.784 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.538 10.024 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.640 11.259 -0.318 1.00 0.00 H new ATOM 864 N ASP A 80 11.661 4.978 3.011 1.00 0.00 N ATOM 865 CA ASP A 80 12.537 4.004 3.649 1.00 0.00 C ATOM 866 C ASP A 80 12.242 2.605 3.126 1.00 0.00 C ATOM 867 O ASP A 80 13.142 1.778 2.974 1.00 0.00 O ATOM 868 CB ASP A 80 12.344 4.034 5.166 1.00 0.00 C ATOM 869 CG ASP A 80 13.287 3.093 5.887 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.406 3.524 6.236 1.00 0.00 O ATOM 871 OD2 ASP A 80 12.906 1.922 6.105 1.00 0.00 O ATOM 0 H ASP A 80 11.013 5.442 3.648 1.00 0.00 H new ATOM 0 HA ASP A 80 13.569 4.263 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.500 5.050 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.315 3.765 5.404 1.00 0.00 H new ATOM 876 N LEU A 81 10.967 2.356 2.852 1.00 0.00 N ATOM 877 CA LEU A 81 10.518 1.073 2.347 1.00 0.00 C ATOM 878 C LEU A 81 10.982 0.855 0.911 1.00 0.00 C ATOM 879 O LEU A 81 10.921 -0.259 0.388 1.00 0.00 O ATOM 880 CB LEU A 81 8.994 1.010 2.439 1.00 0.00 C ATOM 881 CG LEU A 81 8.436 0.255 3.651 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.205 0.608 4.918 1.00 0.00 C ATOM 883 CD2 LEU A 81 6.960 0.565 3.829 1.00 0.00 C ATOM 0 H LEU A 81 10.220 3.039 2.975 1.00 0.00 H new ATOM 0 HA LEU A 81 10.953 0.278 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.606 2.029 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.612 0.540 1.533 1.00 0.00 H new ATOM 0 HG LEU A 81 8.555 -0.813 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.788 0.058 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.254 0.340 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.124 1.678 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.576 0.023 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.829 1.636 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.414 0.259 2.937 1.00 0.00 H new ATOM 895 N CYS A 82 11.448 1.928 0.279 1.00 0.00 N ATOM 896 CA CYS A 82 11.932 1.862 -1.095 1.00 0.00 C ATOM 897 C CYS A 82 13.454 1.969 -1.130 1.00 0.00 C ATOM 898 O CYS A 82 14.079 2.362 -0.145 1.00 0.00 O ATOM 899 CB CYS A 82 11.306 2.978 -1.934 1.00 0.00 C ATOM 900 SG CYS A 82 11.745 2.925 -3.687 1.00 0.00 S ATOM 0 H CYS A 82 11.500 2.856 0.699 1.00 0.00 H new ATOM 0 HA CYS A 82 11.640 0.900 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 82 10.221 2.922 -1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.612 3.940 -1.524 1.00 0.00 H new ATOM 0 HG CYS A 82 11.260 1.845 -4.223 1.00 0.00 H new ATOM 906 N ASP A 83 14.044 1.617 -2.268 1.00 0.00 N ATOM 907 CA ASP A 83 15.493 1.675 -2.431 1.00 0.00 C ATOM 908 C ASP A 83 16.022 3.078 -2.147 1.00 0.00 C ATOM 909 O ASP A 83 17.137 3.241 -1.653 1.00 0.00 O ATOM 910 CB ASP A 83 15.886 1.248 -3.846 1.00 0.00 C ATOM 911 CG ASP A 83 15.493 -0.186 -4.146 1.00 0.00 C ATOM 912 OD1 ASP A 83 14.347 -0.409 -4.587 1.00 0.00 O ATOM 913 OD2 ASP A 83 16.334 -1.086 -3.939 1.00 0.00 O ATOM 0 H ASP A 83 13.541 1.288 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 83 15.939 0.987 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.410 1.911 -4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.963 1.361 -3.971 1.00 0.00 H new ATOM 918 N GLY A 84 15.213 4.086 -2.460 1.00 0.00 N ATOM 919 CA GLY A 84 15.618 5.461 -2.228 1.00 0.00 C ATOM 920 C GLY A 84 15.094 6.411 -3.289 1.00 0.00 C ATOM 921 O GLY A 84 15.837 7.252 -3.797 1.00 0.00 O ATOM 0 H GLY A 84 14.285 3.975 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.259 5.781 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.706 5.516 -2.202 1.00 0.00 H new ATOM 925 N ASP A 85 13.815 6.276 -3.625 1.00 0.00 N ATOM 926 CA ASP A 85 13.195 7.133 -4.630 1.00 0.00 C ATOM 927 C ASP A 85 11.951 7.814 -4.066 1.00 0.00 C ATOM 928 O ASP A 85 11.009 7.148 -3.637 1.00 0.00 O ATOM 929 CB ASP A 85 12.830 6.316 -5.870 1.00 0.00 C ATOM 930 CG ASP A 85 12.337 7.186 -7.009 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.155 7.941 -7.577 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.133 7.116 -7.333 1.00 0.00 O ATOM 0 H ASP A 85 13.188 5.582 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 85 13.912 7.904 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.702 5.751 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.059 5.591 -5.610 1.00 0.00 H new ATOM 937 N LEU A 86 11.958 9.143 -4.071 1.00 0.00 N ATOM 938 CA LEU A 86 10.834 9.917 -3.556 1.00 0.00 C ATOM 939 C LEU A 86 9.576 9.683 -4.387 1.00 0.00 C ATOM 940 O LEU A 86 8.502 9.431 -3.841 1.00 0.00 O ATOM 941 CB LEU A 86 11.177 11.409 -3.537 1.00 0.00 C ATOM 942 CG LEU A 86 10.046 12.332 -3.075 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.634 12.005 -1.647 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.468 13.788 -3.189 1.00 0.00 C ATOM 0 H LEU A 86 12.730 9.707 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 86 10.638 9.583 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.037 11.560 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.482 11.708 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 86 9.185 12.170 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.829 12.672 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.289 10.972 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.488 12.136 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.652 14.430 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.345 13.963 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.710 14.017 -4.227 1.00 0.00 H new ATOM 956 N ASN A 87 9.717 9.770 -5.709 1.00 0.00 N ATOM 957 CA ASN A 87 8.592 9.568 -6.618 1.00 0.00 C ATOM 958 C ASN A 87 7.858 8.270 -6.302 1.00 0.00 C ATOM 959 O ASN A 87 6.627 8.223 -6.304 1.00 0.00 O ATOM 960 CB ASN A 87 9.075 9.554 -8.068 1.00 0.00 C ATOM 961 CG ASN A 87 9.500 10.927 -8.551 1.00 0.00 C ATOM 962 OD1 ASN A 87 9.972 11.755 -7.772 1.00 0.00 O ATOM 963 ND2 ASN A 87 9.330 11.178 -9.844 1.00 0.00 N ATOM 0 H ASN A 87 10.601 9.979 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 87 7.898 10.397 -6.481 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.913 8.864 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.278 9.177 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.594 12.086 -10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.935 10.463 -10.455 1.00 0.00 H new ATOM 970 N LYS A 88 8.622 7.217 -6.033 1.00 0.00 N ATOM 971 CA LYS A 88 8.049 5.918 -5.712 1.00 0.00 C ATOM 972 C LYS A 88 7.183 6.013 -4.460 1.00 0.00 C ATOM 973 O LYS A 88 6.114 5.405 -4.380 1.00 0.00 O ATOM 974 CB LYS A 88 9.162 4.890 -5.510 1.00 0.00 C ATOM 975 CG LYS A 88 8.682 3.450 -5.572 1.00 0.00 C ATOM 976 CD LYS A 88 9.563 2.618 -6.490 1.00 0.00 C ATOM 977 CE LYS A 88 9.049 1.194 -6.625 1.00 0.00 C ATOM 978 NZ LYS A 88 9.816 0.422 -7.641 1.00 0.00 N ATOM 0 H LYS A 88 9.642 7.239 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 88 7.420 5.598 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.927 5.042 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.635 5.065 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.685 3.019 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.652 3.422 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.605 3.084 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.581 2.602 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.115 0.691 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.995 1.213 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.435 -0.544 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.732 0.888 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.817 0.382 -7.363 1.00 0.00 H new ATOM 992 N ALA A 89 7.649 6.793 -3.489 1.00 0.00 N ATOM 993 CA ALA A 89 6.921 6.980 -2.241 1.00 0.00 C ATOM 994 C ALA A 89 5.673 7.827 -2.462 1.00 0.00 C ATOM 995 O ALA A 89 4.695 7.709 -1.724 1.00 0.00 O ATOM 996 CB ALA A 89 7.820 7.622 -1.194 1.00 0.00 C ATOM 0 H ALA A 89 8.529 7.306 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 89 6.608 6.001 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.262 7.755 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.681 6.979 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.162 8.592 -1.554 1.00 0.00 H new ATOM 1002 N ILE A 90 5.713 8.683 -3.481 1.00 0.00 N ATOM 1003 CA ILE A 90 4.579 9.543 -3.797 1.00 0.00 C ATOM 1004 C ILE A 90 3.375 8.707 -4.217 1.00 0.00 C ATOM 1005 O ILE A 90 2.330 8.738 -3.567 1.00 0.00 O ATOM 1006 CB ILE A 90 4.919 10.550 -4.917 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.053 11.479 -4.470 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.684 11.356 -5.301 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.522 12.433 -5.549 1.00 0.00 C ATOM 0 H ILE A 90 6.516 8.798 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 90 4.339 10.103 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 90 5.252 9.996 -5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.719 12.056 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.898 10.874 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.941 12.061 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.905 10.681 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.321 11.903 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.325 13.058 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.888 11.864 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.691 13.065 -5.862 1.00 0.00 H new ATOM 1021 N LYS A 91 3.528 7.959 -5.308 1.00 0.00 N ATOM 1022 CA LYS A 91 2.452 7.111 -5.810 1.00 0.00 C ATOM 1023 C LYS A 91 2.005 6.119 -4.740 1.00 0.00 C ATOM 1024 O LYS A 91 0.832 5.754 -4.668 1.00 0.00 O ATOM 1025 CB LYS A 91 2.902 6.363 -7.067 1.00 0.00 C ATOM 1026 CG LYS A 91 2.814 7.196 -8.337 1.00 0.00 C ATOM 1027 CD LYS A 91 1.370 7.507 -8.700 1.00 0.00 C ATOM 1028 CE LYS A 91 1.278 8.366 -9.951 1.00 0.00 C ATOM 1029 NZ LYS A 91 1.882 7.694 -11.134 1.00 0.00 N ATOM 0 H LYS A 91 4.385 7.924 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 91 1.606 7.749 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.931 6.029 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.290 5.469 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.365 8.127 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.290 6.660 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.825 6.576 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.888 8.022 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.232 8.594 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.783 9.316 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.623 8.212 -11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.917 7.681 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.528 6.718 -11.197 1.00 0.00 H new ATOM 1043 N PHE A 92 2.951 5.688 -3.913 1.00 0.00 N ATOM 1044 CA PHE A 92 2.660 4.749 -2.836 1.00 0.00 C ATOM 1045 C PHE A 92 1.638 5.344 -1.868 1.00 0.00 C ATOM 1046 O PHE A 92 0.522 4.836 -1.731 1.00 0.00 O ATOM 1047 CB PHE A 92 3.957 4.393 -2.100 1.00 0.00 C ATOM 1048 CG PHE A 92 3.773 3.494 -0.909 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.483 2.148 -1.074 1.00 0.00 C ATOM 1050 CD2 PHE A 92 3.903 3.994 0.376 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.327 1.319 0.021 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.746 3.171 1.475 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.457 1.832 1.298 1.00 0.00 C ATOM 0 H PHE A 92 3.928 5.975 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 92 2.233 3.841 -3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.637 3.910 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.438 5.314 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.378 1.743 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.130 5.040 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.104 0.272 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.849 3.574 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.333 1.187 2.155 1.00 0.00 H new ATOM 1063 N LYS A 93 2.024 6.435 -1.214 1.00 0.00 N ATOM 1064 CA LYS A 93 1.152 7.111 -0.257 1.00 0.00 C ATOM 1065 C LYS A 93 -0.149 7.565 -0.919 1.00 0.00 C ATOM 1066 O LYS A 93 -1.173 7.714 -0.253 1.00 0.00 O ATOM 1067 CB LYS A 93 1.876 8.317 0.348 1.00 0.00 C ATOM 1068 CG LYS A 93 1.122 8.976 1.492 1.00 0.00 C ATOM 1069 CD LYS A 93 1.089 8.087 2.724 1.00 0.00 C ATOM 1070 CE LYS A 93 0.356 8.756 3.875 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.985 10.052 4.256 1.00 0.00 N ATOM 0 H LYS A 93 2.938 6.872 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 93 0.903 6.402 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.855 7.999 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.048 9.056 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.594 9.926 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.103 9.200 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.601 7.143 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.108 7.849 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.683 8.926 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.348 8.089 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.628 10.351 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.018 9.936 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.749 10.774 3.546 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.101 7.784 -2.231 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.276 8.225 -2.976 1.00 0.00 C ATOM 1087 C ILE A 94 -2.325 7.123 -3.078 1.00 0.00 C ATOM 1088 O ILE A 94 -3.415 7.241 -2.517 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.903 8.696 -4.398 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.297 10.101 -4.349 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.124 8.669 -5.308 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.261 10.568 -5.677 1.00 0.00 C ATOM 0 H ILE A 94 0.738 7.663 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.694 9.064 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.159 8.012 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.060 10.805 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.498 10.119 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.841 9.004 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.514 7.653 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.892 9.331 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.673 11.571 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.047 9.886 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.535 10.584 -6.421 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.996 6.057 -3.808 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.919 4.943 -3.993 1.00 0.00 C ATOM 1106 C LEU A 95 -3.478 4.474 -2.657 1.00 0.00 C ATOM 1107 O LEU A 95 -4.580 3.930 -2.592 1.00 0.00 O ATOM 1108 CB LEU A 95 -2.228 3.780 -4.713 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.689 4.102 -6.112 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -1.142 2.843 -6.772 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.772 4.729 -6.982 1.00 0.00 C ATOM 0 H LEU A 95 -1.098 5.944 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.746 5.293 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.401 3.432 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.935 2.954 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.878 4.823 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.763 3.088 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.333 2.436 -6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.938 2.103 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.364 4.948 -7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.607 4.035 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.120 5.653 -6.520 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.714 4.689 -1.591 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.150 4.293 -0.262 1.00 0.00 C ATOM 1125 C ILE A 96 -4.199 5.260 0.283 1.00 0.00 C ATOM 1126 O ILE A 96 -5.155 4.846 0.937 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.964 4.210 0.718 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.983 3.132 0.259 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.453 3.922 2.131 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.332 3.149 1.006 1.00 0.00 C ATOM 0 H ILE A 96 -1.796 5.133 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.595 3.302 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.451 5.171 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.448 2.154 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.788 3.260 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.600 3.867 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.122 4.720 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.988 2.972 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.977 2.356 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.819 4.113 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.149 2.990 2.069 1.00 0.00 H new ATOM 1142 N ASN A 97 -4.012 6.547 0.009 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.950 7.568 0.467 1.00 0.00 C ATOM 1144 C ASN A 97 -6.340 7.314 -0.106 1.00 0.00 C ATOM 1145 O ASN A 97 -7.339 7.373 0.611 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.466 8.961 0.063 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.347 10.061 0.621 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.329 10.462 -0.003 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.999 10.556 1.804 1.00 0.00 N ATOM 0 H ASN A 97 -3.222 6.908 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.004 7.516 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.444 9.104 0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.443 9.034 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.554 11.298 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.177 10.194 2.287 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.396 7.030 -1.405 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.665 6.762 -2.074 1.00 0.00 C ATOM 1158 C LYS A 98 -8.269 5.456 -1.569 1.00 0.00 C ATOM 1159 O LYS A 98 -9.475 5.367 -1.340 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.472 6.689 -3.593 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.224 8.039 -4.254 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.858 8.601 -3.898 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.494 9.780 -4.787 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.527 10.852 -4.743 1.00 0.00 N ATOM 0 H LYS A 98 -5.579 6.980 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.347 7.581 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.631 6.030 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.357 6.235 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.302 7.933 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.998 8.742 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.853 8.915 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.104 7.820 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.534 10.189 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.372 9.436 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.160 11.707 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.383 10.530 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.760 11.069 -3.753 1.00 0.00 H new ATOM 1178 N MET A 99 -7.421 4.446 -1.398 1.00 0.00 N ATOM 1179 CA MET A 99 -7.869 3.144 -0.917 1.00 0.00 C ATOM 1180 C MET A 99 -8.480 3.262 0.476 1.00 0.00 C ATOM 1181 O MET A 99 -9.319 2.450 0.869 1.00 0.00 O ATOM 1182 CB MET A 99 -6.697 2.159 -0.893 1.00 0.00 C ATOM 1183 CG MET A 99 -7.089 0.750 -0.474 1.00 0.00 C ATOM 1184 SD MET A 99 -8.272 -0.006 -1.603 1.00 0.00 S ATOM 1185 CE MET A 99 -8.453 -1.629 -0.867 1.00 0.00 C ATOM 0 H MET A 99 -6.420 4.505 -1.585 1.00 0.00 H new ATOM 0 HA MET A 99 -8.634 2.772 -1.599 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.246 2.121 -1.884 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.934 2.532 -0.210 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.195 0.129 -0.421 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.517 0.779 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.396 -2.390 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.655 -1.791 -0.142 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.418 -1.695 -0.365 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.054 4.281 1.217 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.558 4.509 2.567 1.00 0.00 C ATOM 1197 C ARG A 100 -9.952 5.128 2.518 1.00 0.00 C ATOM 1198 O ARG A 100 -10.850 4.717 3.253 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.600 5.420 3.342 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.724 5.305 4.854 1.00 0.00 C ATOM 1201 CD ARG A 100 -8.913 6.088 5.389 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.953 6.085 6.848 1.00 0.00 N ATOM 1203 CZ ARG A 100 -9.507 7.053 7.574 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -10.067 8.097 6.977 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -9.498 6.977 8.897 1.00 0.00 N ATOM 0 H ARG A 100 -7.361 4.962 0.905 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.623 3.550 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.576 5.183 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.783 6.454 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.827 4.256 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.809 5.670 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.863 7.116 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.836 5.658 4.999 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.532 5.296 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.074 8.159 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.491 8.837 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.066 6.177 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.923 7.719 9.453 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.124 6.116 1.646 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.407 6.790 1.496 1.00 0.00 C ATOM 1221 C ASP A 101 -12.387 5.918 0.717 1.00 0.00 C ATOM 1222 O ASP A 101 -13.357 5.405 1.275 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.222 8.133 0.788 1.00 0.00 C ATOM 1224 CG ASP A 101 -12.535 8.857 0.565 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -13.164 8.636 -0.492 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -12.935 9.647 1.446 1.00 0.00 O ATOM 0 H ASP A 101 -9.389 6.468 1.032 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.817 6.968 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.559 8.764 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.733 7.970 -0.172 1.00 0.00 H new