USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1004 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 66 LYS NZ :NH3+ -167:sc= 2.12 (180deg=1.76) USER MOD Set 1.2: A 101 TYR OH : rot -145:sc= 1.23 USER MOD Set 1.3: A 114 ASN : amide:sc= 1.42 K(o=4.8,f=-0.067!) USER MOD Set 2.1: A 51 SER OG : rot 38:sc= 0.0428 USER MOD Set 2.2: A 88 MET CE :methyl -171:sc= -0.286 (180deg=-0.71) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.142 K(o=1.4,f=-5.3!) USER MOD Set 3.2: A 62 SER OG : rot -151:sc= 1.24 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 80:sc= 0.779 USER MOD Single : A 15 MET CE :methyl -154:sc= -2.24 (180deg=-3.42) USER MOD Single : A 20 THR OG1 : rot -10:sc= 1.21 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 170:sc= -0.363 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 99:sc= 1.21 USER MOD Single : A 43 HIS : no HD1:sc= -0.0364 K(o=-0.036,f=-1.3) USER MOD Single : A 45 SER OG : rot -25:sc= 0.0611 USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.266) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0931) USER MOD Single : A 67 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 1.16 (180deg=1.07) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 120:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -163:sc=-0.00594 (180deg=-0.156) USER MOD Single : A 80 SER OG : rot -110:sc= -0.199 USER MOD Single : A 82 SER OG : rot -50:sc=0.000873 USER MOD Single : A 89 GLN : amide:sc= 0.5 K(o=0.5,f=-0.56) USER MOD Single : A 91 ASN : amide:sc= 0.0548 X(o=0.055,f=-0.049) USER MOD Single : A 92 SER OG : rot -99:sc= 1.22 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 106:sc= 1.25 USER MOD Single : A 122 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.83) USER MOD Single : A 124 THR OG1 : rot 67:sc= 0.675 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.506 16.027 2.138 1.00 0.00 N ATOM 93 CA TYR A 10 8.079 16.255 1.938 1.00 0.00 C ATOM 94 C TYR A 10 7.552 15.423 0.762 1.00 0.00 C ATOM 95 O TYR A 10 6.589 14.669 0.911 1.00 0.00 O ATOM 96 CB TYR A 10 7.854 17.761 1.733 1.00 0.00 C ATOM 97 CG TYR A 10 6.612 18.153 0.955 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.332 17.933 1.495 1.00 0.00 C ATOM 99 CD2 TYR A 10 6.744 18.773 -0.302 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.194 18.405 0.821 1.00 0.00 C ATOM 101 CE2 TYR A 10 5.606 19.216 -0.994 1.00 0.00 C ATOM 102 CZ TYR A 10 4.327 19.062 -0.423 1.00 0.00 C ATOM 103 OH TYR A 10 3.238 19.538 -1.088 1.00 0.00 O ATOM 0 HA TYR A 10 7.518 15.932 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.809 18.237 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.724 18.170 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.224 17.401 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.724 18.908 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.215 18.266 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.711 19.676 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 10 3.524 19.960 -1.925 1.00 0.00 H new ATOM 113 N TRP A 11 8.161 15.542 -0.423 1.00 0.00 N ATOM 114 CA TRP A 11 7.526 15.048 -1.647 1.00 0.00 C ATOM 115 C TRP A 11 7.404 13.524 -1.717 1.00 0.00 C ATOM 116 O TRP A 11 6.545 13.007 -2.430 1.00 0.00 O ATOM 117 CB TRP A 11 8.231 15.605 -2.881 1.00 0.00 C ATOM 118 CG TRP A 11 7.281 16.003 -3.957 1.00 0.00 C ATOM 119 CD1 TRP A 11 6.668 17.202 -4.037 1.00 0.00 C ATOM 120 CD2 TRP A 11 6.792 15.225 -5.085 1.00 0.00 C ATOM 121 NE1 TRP A 11 5.896 17.245 -5.176 1.00 0.00 N ATOM 122 CE2 TRP A 11 5.931 16.054 -5.861 1.00 0.00 C ATOM 123 CE3 TRP A 11 6.995 13.906 -5.534 1.00 0.00 C ATOM 124 CZ2 TRP A 11 5.320 15.605 -7.038 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.389 13.444 -6.716 1.00 0.00 C ATOM 126 CH2 TRP A 11 5.558 14.291 -7.469 1.00 0.00 C ATOM 0 H TRP A 11 9.077 15.969 -0.559 1.00 0.00 H new ATOM 0 HA TRP A 11 6.501 15.417 -1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.830 16.469 -2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.920 14.855 -3.270 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.767 18.003 -3.320 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.363 18.061 -5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.625 13.240 -4.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.675 16.260 -7.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.563 12.431 -7.047 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.103 13.931 -8.379 1.00 0.00 H new ATOM 137 N ARG A 12 8.212 12.789 -0.950 1.00 0.00 N ATOM 138 CA ARG A 12 8.073 11.341 -0.830 1.00 0.00 C ATOM 139 C ARG A 12 6.679 10.968 -0.311 1.00 0.00 C ATOM 140 O ARG A 12 6.158 9.919 -0.682 1.00 0.00 O ATOM 141 CB ARG A 12 9.195 10.798 0.071 1.00 0.00 C ATOM 142 CG ARG A 12 10.479 10.513 -0.724 1.00 0.00 C ATOM 143 CD ARG A 12 11.755 10.545 0.119 1.00 0.00 C ATOM 144 NE ARG A 12 11.617 9.867 1.424 1.00 0.00 N ATOM 145 CZ ARG A 12 12.372 10.084 2.513 1.00 0.00 C ATOM 146 NH1 ARG A 12 13.215 11.102 2.580 1.00 0.00 N ATOM 147 NH2 ARG A 12 12.286 9.256 3.542 1.00 0.00 N ATOM 0 H ARG A 12 8.976 13.180 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 12 8.171 10.879 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.409 11.519 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.859 9.883 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.392 9.534 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.567 11.246 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.563 10.075 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.044 11.582 0.286 1.00 0.00 H new ATOM 0 HE ARG A 12 10.879 9.168 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.303 11.744 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.777 11.244 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.650 8.460 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.856 9.414 4.373 1.00 0.00 H new ATOM 161 N SER A 13 6.042 11.818 0.498 1.00 0.00 N ATOM 162 CA SER A 13 4.724 11.562 1.037 1.00 0.00 C ATOM 163 C SER A 13 3.670 11.836 -0.025 1.00 0.00 C ATOM 164 O SER A 13 2.635 11.172 -0.049 1.00 0.00 O ATOM 165 CB SER A 13 4.566 12.445 2.278 1.00 0.00 C ATOM 166 OG SER A 13 3.563 11.984 3.157 1.00 0.00 O ATOM 0 H SER A 13 6.439 12.710 0.794 1.00 0.00 H new ATOM 0 HA SER A 13 4.596 10.519 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.516 12.488 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.329 13.462 1.966 1.00 0.00 H new ATOM 0 HG SER A 13 3.916 11.248 3.699 1.00 0.00 H new ATOM 172 N ARG A 14 3.934 12.799 -0.912 1.00 0.00 N ATOM 173 CA ARG A 14 3.015 13.196 -1.965 1.00 0.00 C ATOM 174 C ARG A 14 2.818 12.080 -2.971 1.00 0.00 C ATOM 175 O ARG A 14 1.707 11.931 -3.462 1.00 0.00 O ATOM 176 CB ARG A 14 3.511 14.472 -2.668 1.00 0.00 C ATOM 177 CG ARG A 14 3.714 15.661 -1.711 1.00 0.00 C ATOM 178 CD ARG A 14 2.394 16.121 -1.091 1.00 0.00 C ATOM 179 NE ARG A 14 1.621 16.967 -2.025 1.00 0.00 N ATOM 180 CZ ARG A 14 0.680 17.864 -1.702 1.00 0.00 C ATOM 181 NH1 ARG A 14 0.250 17.992 -0.454 1.00 0.00 N ATOM 182 NH2 ARG A 14 0.159 18.673 -2.610 1.00 0.00 N ATOM 0 H ARG A 14 4.806 13.328 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 14 2.051 13.407 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.453 14.257 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.794 14.755 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.408 15.377 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.170 16.490 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.800 15.251 -0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.595 16.678 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 14 1.825 16.856 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.637 17.401 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.467 18.682 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.473 18.621 -3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.557 19.348 -2.341 1.00 0.00 H new ATOM 196 N MET A 15 3.843 11.268 -3.246 1.00 0.00 N ATOM 197 CA MET A 15 3.691 10.153 -4.180 1.00 0.00 C ATOM 198 C MET A 15 2.630 9.194 -3.658 1.00 0.00 C ATOM 199 O MET A 15 1.692 8.859 -4.376 1.00 0.00 O ATOM 200 CB MET A 15 5.014 9.426 -4.432 1.00 0.00 C ATOM 201 CG MET A 15 6.157 10.385 -4.784 1.00 0.00 C ATOM 202 SD MET A 15 7.389 9.761 -5.956 1.00 0.00 S ATOM 203 CE MET A 15 7.572 8.074 -5.329 1.00 0.00 C ATOM 0 H MET A 15 4.774 11.361 -2.841 1.00 0.00 H new ATOM 0 HA MET A 15 3.372 10.556 -5.141 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.285 8.854 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.882 8.711 -5.244 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.725 11.298 -5.194 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.669 10.661 -3.862 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.560 7.694 -5.589 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.457 8.074 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.809 7.435 -5.775 1.00 0.00 H new ATOM 213 N ILE A 16 2.774 8.789 -2.391 1.00 0.00 N ATOM 214 CA ILE A 16 1.839 7.882 -1.748 1.00 0.00 C ATOM 215 C ILE A 16 0.448 8.527 -1.720 1.00 0.00 C ATOM 216 O ILE A 16 -0.517 7.894 -2.137 1.00 0.00 O ATOM 217 CB ILE A 16 2.355 7.465 -0.349 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.806 6.882 -0.355 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.344 6.459 0.259 1.00 0.00 C ATOM 220 CD1 ILE A 16 4.036 5.792 -1.395 1.00 0.00 C ATOM 0 H ILE A 16 3.543 9.085 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 16 1.756 6.957 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 16 2.424 8.363 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.511 7.694 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.028 6.479 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.687 6.150 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.366 6.933 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.267 5.585 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.066 5.442 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.358 4.960 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.849 6.194 -2.391 1.00 0.00 H new ATOM 232 N ASP A 17 0.334 9.771 -1.245 1.00 0.00 N ATOM 233 CA ASP A 17 -0.960 10.437 -1.086 1.00 0.00 C ATOM 234 C ASP A 17 -1.693 10.537 -2.426 1.00 0.00 C ATOM 235 O ASP A 17 -2.864 10.158 -2.536 1.00 0.00 O ATOM 236 CB ASP A 17 -0.775 11.822 -0.459 1.00 0.00 C ATOM 237 CG ASP A 17 -2.102 12.365 0.072 1.00 0.00 C ATOM 238 OD1 ASP A 17 -3.015 12.660 -0.733 1.00 0.00 O ATOM 239 OD2 ASP A 17 -2.219 12.494 1.315 1.00 0.00 O ATOM 0 H ASP A 17 1.131 10.341 -0.962 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.574 9.836 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.051 11.763 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.367 12.509 -1.200 1.00 0.00 H new ATOM 244 N ALA A 18 -0.990 10.988 -3.468 1.00 0.00 N ATOM 245 CA ALA A 18 -1.545 11.260 -4.783 1.00 0.00 C ATOM 246 C ALA A 18 -2.151 10.015 -5.433 1.00 0.00 C ATOM 247 O ALA A 18 -3.168 10.121 -6.128 1.00 0.00 O ATOM 248 CB ALA A 18 -0.455 11.843 -5.685 1.00 0.00 C ATOM 0 H ALA A 18 0.011 11.177 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.354 11.979 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.870 12.047 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.080 12.769 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.363 11.128 -5.776 1.00 0.00 H new ATOM 254 N VAL A 19 -1.572 8.831 -5.225 1.00 0.00 N ATOM 255 CA VAL A 19 -2.135 7.592 -5.760 1.00 0.00 C ATOM 256 C VAL A 19 -3.257 7.035 -4.877 1.00 0.00 C ATOM 257 O VAL A 19 -3.787 5.964 -5.192 1.00 0.00 O ATOM 258 CB VAL A 19 -1.039 6.562 -6.082 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.047 7.138 -7.094 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.273 6.025 -4.873 1.00 0.00 C ATOM 0 H VAL A 19 -0.713 8.705 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.609 7.833 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.575 5.709 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.722 6.397 -7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.573 7.395 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.418 8.033 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.476 5.307 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.219 6.850 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.967 5.535 -4.191 1.00 0.00 H new ATOM 270 N THR A 20 -3.651 7.756 -3.815 1.00 0.00 N ATOM 271 CA THR A 20 -4.660 7.337 -2.844 1.00 0.00 C ATOM 272 C THR A 20 -5.830 8.310 -2.695 1.00 0.00 C ATOM 273 O THR A 20 -6.701 8.051 -1.881 1.00 0.00 O ATOM 274 CB THR A 20 -4.016 6.940 -1.505 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.287 7.982 -0.892 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.081 5.745 -1.697 1.00 0.00 C ATOM 0 H THR A 20 -3.260 8.675 -3.607 1.00 0.00 H new ATOM 0 HA THR A 20 -5.124 6.440 -3.254 1.00 0.00 H new ATOM 0 HB THR A 20 -4.847 6.688 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.199 8.732 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.633 5.476 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.648 4.898 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.295 6.008 -2.405 1.00 0.00 H new ATOM 284 N SER A 21 -5.891 9.393 -3.475 1.00 0.00 N ATOM 285 CA SER A 21 -6.876 10.463 -3.328 1.00 0.00 C ATOM 286 C SER A 21 -8.295 9.874 -3.344 1.00 0.00 C ATOM 287 O SER A 21 -8.672 9.185 -4.298 1.00 0.00 O ATOM 288 CB SER A 21 -6.603 11.481 -4.436 1.00 0.00 C ATOM 289 OG SER A 21 -7.468 12.598 -4.438 1.00 0.00 O ATOM 0 H SER A 21 -5.240 9.552 -4.244 1.00 0.00 H new ATOM 0 HA SER A 21 -6.794 10.978 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.576 11.834 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.679 10.978 -5.400 1.00 0.00 H new ATOM 0 HG SER A 21 -7.225 13.198 -5.174 1.00 0.00 H new ATOM 295 N ASP A 22 -9.032 10.048 -2.249 1.00 0.00 N ATOM 296 CA ASP A 22 -10.341 9.471 -1.986 1.00 0.00 C ATOM 297 C ASP A 22 -11.411 10.162 -2.824 1.00 0.00 C ATOM 298 O ASP A 22 -12.145 11.019 -2.347 1.00 0.00 O ATOM 299 CB ASP A 22 -10.699 9.425 -0.484 1.00 0.00 C ATOM 300 CG ASP A 22 -10.336 10.623 0.400 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.445 11.431 0.065 1.00 0.00 O ATOM 302 OD2 ASP A 22 -10.797 10.651 1.563 1.00 0.00 O ATOM 0 H ASP A 22 -8.708 10.631 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.298 8.426 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.775 9.272 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.220 8.544 -0.058 1.00 0.00 H new ATOM 307 N GLU A 23 -11.495 9.749 -4.085 1.00 0.00 N ATOM 308 CA GLU A 23 -12.191 10.411 -5.187 1.00 0.00 C ATOM 309 C GLU A 23 -13.022 9.388 -5.981 1.00 0.00 C ATOM 310 O GLU A 23 -13.266 9.582 -7.166 1.00 0.00 O ATOM 311 CB GLU A 23 -11.130 11.113 -6.069 1.00 0.00 C ATOM 312 CG GLU A 23 -10.636 12.444 -5.486 1.00 0.00 C ATOM 313 CD GLU A 23 -11.726 13.511 -5.588 1.00 0.00 C ATOM 314 OE1 GLU A 23 -11.985 13.974 -6.723 1.00 0.00 O ATOM 315 OE2 GLU A 23 -12.398 13.804 -4.569 1.00 0.00 O ATOM 0 H GLU A 23 -11.048 8.883 -4.386 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.891 11.159 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.279 10.445 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.552 11.292 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.350 12.307 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.745 12.774 -6.021 1.00 0.00 H new ATOM 322 N ASP A 24 -13.391 8.264 -5.346 1.00 0.00 N ATOM 323 CA ASP A 24 -13.978 7.001 -5.855 1.00 0.00 C ATOM 324 C ASP A 24 -13.247 6.278 -6.986 1.00 0.00 C ATOM 325 O ASP A 24 -13.251 5.046 -7.030 1.00 0.00 O ATOM 326 CB ASP A 24 -15.473 7.117 -6.156 1.00 0.00 C ATOM 327 CG ASP A 24 -15.791 7.948 -7.391 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.564 7.465 -8.522 1.00 0.00 O ATOM 329 OD2 ASP A 24 -16.309 9.069 -7.210 1.00 0.00 O ATOM 0 H ASP A 24 -13.272 8.207 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.829 6.344 -4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.886 6.117 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.974 7.558 -5.294 1.00 0.00 H new ATOM 334 N LYS A 25 -12.563 7.016 -7.840 1.00 0.00 N ATOM 335 CA LYS A 25 -11.898 6.591 -9.053 1.00 0.00 C ATOM 336 C LYS A 25 -10.716 5.652 -8.798 1.00 0.00 C ATOM 337 O LYS A 25 -10.224 5.528 -7.673 1.00 0.00 O ATOM 338 CB LYS A 25 -11.509 7.889 -9.771 1.00 0.00 C ATOM 339 CG LYS A 25 -10.389 8.670 -9.051 1.00 0.00 C ATOM 340 CD LYS A 25 -10.140 10.062 -9.637 1.00 0.00 C ATOM 341 CE LYS A 25 -9.725 10.006 -11.113 1.00 0.00 C ATOM 342 NZ LYS A 25 -10.817 10.403 -12.019 1.00 0.00 N ATOM 0 H LYS A 25 -12.450 8.018 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.554 5.981 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.185 7.653 -10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.389 8.526 -9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.647 8.769 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.465 8.093 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.044 10.662 -9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.361 10.562 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.868 10.661 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.402 8.994 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.488 10.349 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.626 9.763 -11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.109 11.378 -11.805 1.00 0.00 H new ATOM 356 N VAL A 26 -10.208 5.026 -9.854 1.00 0.00 N ATOM 357 CA VAL A 26 -8.951 4.285 -9.868 1.00 0.00 C ATOM 358 C VAL A 26 -7.844 5.279 -10.270 1.00 0.00 C ATOM 359 O VAL A 26 -8.073 6.489 -10.375 1.00 0.00 O ATOM 360 CB VAL A 26 -9.101 3.016 -10.755 1.00 0.00 C ATOM 361 CG1 VAL A 26 -7.951 2.001 -10.586 1.00 0.00 C ATOM 362 CG2 VAL A 26 -10.392 2.253 -10.399 1.00 0.00 C ATOM 0 H VAL A 26 -10.678 5.020 -10.759 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.667 3.886 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.106 3.394 -11.777 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.125 1.143 -11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.006 2.474 -10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.909 1.668 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.478 1.369 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.358 1.950 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.254 2.900 -10.562 1.00 0.00 H new ATOM 372 N ALA A 27 -6.606 4.810 -10.405 1.00 0.00 N ATOM 373 CA ALA A 27 -5.454 5.603 -10.804 1.00 0.00 C ATOM 374 C ALA A 27 -4.610 4.779 -11.786 1.00 0.00 C ATOM 375 O ALA A 27 -4.771 3.548 -11.839 1.00 0.00 O ATOM 376 CB ALA A 27 -4.704 6.022 -9.535 1.00 0.00 C ATOM 0 H ALA A 27 -6.373 3.832 -10.233 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.734 6.517 -11.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.834 6.619 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.365 6.612 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.379 5.133 -8.994 1.00 0.00 H new ATOM 382 N PRO A 28 -3.751 5.418 -12.599 1.00 0.00 N ATOM 383 CA PRO A 28 -2.975 4.708 -13.608 1.00 0.00 C ATOM 384 C PRO A 28 -1.884 3.867 -12.949 1.00 0.00 C ATOM 385 O PRO A 28 -1.593 4.024 -11.761 1.00 0.00 O ATOM 386 CB PRO A 28 -2.380 5.790 -14.502 1.00 0.00 C ATOM 387 CG PRO A 28 -2.249 6.978 -13.555 1.00 0.00 C ATOM 388 CD PRO A 28 -3.454 6.846 -12.643 1.00 0.00 C ATOM 0 HA PRO A 28 -3.589 4.015 -14.184 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.415 5.491 -14.911 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.028 6.017 -15.348 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.316 6.941 -12.993 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.258 7.924 -14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.238 7.233 -11.647 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.302 7.412 -13.028 1.00 0.00 H new ATOM 396 N VAL A 29 -1.268 2.965 -13.711 1.00 0.00 N ATOM 397 CA VAL A 29 -0.205 2.125 -13.180 1.00 0.00 C ATOM 398 C VAL A 29 1.105 2.915 -13.122 1.00 0.00 C ATOM 399 O VAL A 29 1.844 2.725 -12.159 1.00 0.00 O ATOM 400 CB VAL A 29 -0.108 0.809 -13.974 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.990 -0.107 -13.421 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.449 0.052 -13.889 1.00 0.00 C ATOM 0 H VAL A 29 -1.488 2.800 -14.693 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.434 1.834 -12.155 1.00 0.00 H new ATOM 0 HB VAL A 29 0.132 1.068 -15.005 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.027 -1.025 -14.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.952 0.401 -13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.772 -0.349 -12.381 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.378 -0.879 -14.452 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.676 -0.171 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.243 0.670 -14.309 1.00 0.00 H new ATOM 412 N TYR A 30 1.361 3.844 -14.054 1.00 0.00 N ATOM 413 CA TYR A 30 2.627 4.584 -14.074 1.00 0.00 C ATOM 414 C TYR A 30 2.846 5.340 -12.760 1.00 0.00 C ATOM 415 O TYR A 30 3.916 5.249 -12.162 1.00 0.00 O ATOM 416 CB TYR A 30 2.747 5.500 -15.302 1.00 0.00 C ATOM 417 CG TYR A 30 1.846 6.722 -15.350 1.00 0.00 C ATOM 418 CD1 TYR A 30 2.246 7.922 -14.730 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.622 6.668 -16.041 1.00 0.00 C ATOM 420 CE1 TYR A 30 1.405 9.047 -14.754 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.221 7.796 -16.081 1.00 0.00 C ATOM 422 CZ TYR A 30 0.162 8.984 -15.418 1.00 0.00 C ATOM 423 OH TYR A 30 -0.677 10.051 -15.391 1.00 0.00 O ATOM 0 H TYR A 30 0.712 4.098 -14.798 1.00 0.00 H new ATOM 0 HA TYR A 30 3.430 3.852 -14.165 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.780 5.840 -15.370 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.550 4.900 -16.191 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.204 7.977 -14.234 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.327 5.758 -16.543 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.710 9.960 -14.264 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.158 7.753 -16.617 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.489 9.842 -15.898 1.00 0.00 H new ATOM 433 N LYS A 31 1.809 6.012 -12.243 1.00 0.00 N ATOM 434 CA LYS A 31 1.941 6.712 -10.970 1.00 0.00 C ATOM 435 C LYS A 31 2.231 5.757 -9.810 1.00 0.00 C ATOM 436 O LYS A 31 2.753 6.235 -8.811 1.00 0.00 O ATOM 437 CB LYS A 31 0.698 7.540 -10.625 1.00 0.00 C ATOM 438 CG LYS A 31 0.427 8.755 -11.513 1.00 0.00 C ATOM 439 CD LYS A 31 -0.423 9.774 -10.748 1.00 0.00 C ATOM 440 CE LYS A 31 -0.571 11.012 -11.625 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.252 12.113 -10.913 1.00 0.00 N ATOM 0 H LYS A 31 0.890 6.083 -12.680 1.00 0.00 H new ATOM 0 HA LYS A 31 2.789 7.384 -11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.172 6.885 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.790 7.883 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.369 9.210 -11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.089 8.446 -12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.401 9.355 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.051 10.032 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.414 11.345 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.135 10.756 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.333 12.936 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.202 11.804 -10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.701 12.375 -10.071 1.00 0.00 H new ATOM 455 N LEU A 32 1.835 4.476 -9.876 1.00 0.00 N ATOM 456 CA LEU A 32 2.137 3.490 -8.837 1.00 0.00 C ATOM 457 C LEU A 32 3.576 3.006 -8.990 1.00 0.00 C ATOM 458 O LEU A 32 4.247 2.775 -7.984 1.00 0.00 O ATOM 459 CB LEU A 32 1.224 2.244 -8.889 1.00 0.00 C ATOM 460 CG LEU A 32 -0.290 2.469 -8.861 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.046 1.155 -9.095 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.749 3.067 -7.529 1.00 0.00 C ATOM 0 H LEU A 32 1.295 4.098 -10.655 1.00 0.00 H new ATOM 0 HA LEU A 32 1.972 3.997 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.464 1.690 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.483 1.603 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.515 3.172 -9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.119 1.343 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.772 0.746 -10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.785 0.441 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.829 3.212 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.488 2.389 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.257 4.027 -7.372 1.00 0.00 H new ATOM 474 N GLU A 33 4.033 2.773 -10.223 1.00 0.00 N ATOM 475 CA GLU A 33 5.344 2.176 -10.457 1.00 0.00 C ATOM 476 C GLU A 33 6.462 3.123 -10.011 1.00 0.00 C ATOM 477 O GLU A 33 7.493 2.669 -9.526 1.00 0.00 O ATOM 478 CB GLU A 33 5.492 1.675 -11.901 1.00 0.00 C ATOM 479 CG GLU A 33 6.094 2.663 -12.912 1.00 0.00 C ATOM 480 CD GLU A 33 6.353 1.984 -14.251 1.00 0.00 C ATOM 481 OE1 GLU A 33 7.034 0.933 -14.265 1.00 0.00 O ATOM 482 OE2 GLU A 33 5.938 2.513 -15.307 1.00 0.00 O ATOM 0 H GLU A 33 3.512 2.990 -11.073 1.00 0.00 H new ATOM 0 HA GLU A 33 5.435 1.285 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.112 0.779 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.507 1.376 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.415 3.504 -13.052 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.027 3.068 -12.519 1.00 0.00 H new ATOM 489 N GLU A 34 6.203 4.428 -10.072 1.00 0.00 N ATOM 490 CA GLU A 34 7.067 5.488 -9.568 1.00 0.00 C ATOM 491 C GLU A 34 7.434 5.299 -8.086 1.00 0.00 C ATOM 492 O GLU A 34 8.540 5.651 -7.673 1.00 0.00 O ATOM 493 CB GLU A 34 6.343 6.814 -9.837 1.00 0.00 C ATOM 494 CG GLU A 34 6.894 8.023 -9.075 1.00 0.00 C ATOM 495 CD GLU A 34 6.457 9.318 -9.755 1.00 0.00 C ATOM 496 OE1 GLU A 34 7.148 9.775 -10.697 1.00 0.00 O ATOM 497 OE2 GLU A 34 5.366 9.838 -9.419 1.00 0.00 O ATOM 0 H GLU A 34 5.347 4.789 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 34 8.028 5.472 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.390 7.025 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.290 6.693 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.538 8.006 -8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.982 7.973 -9.037 1.00 0.00 H new ATOM 504 N ILE A 35 6.546 4.732 -7.268 1.00 0.00 N ATOM 505 CA ILE A 35 6.860 4.461 -5.870 1.00 0.00 C ATOM 506 C ILE A 35 7.893 3.325 -5.804 1.00 0.00 C ATOM 507 O ILE A 35 8.770 3.351 -4.942 1.00 0.00 O ATOM 508 CB ILE A 35 5.559 4.178 -5.086 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.666 5.432 -4.908 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.841 3.624 -3.680 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.959 5.964 -6.147 1.00 0.00 C ATOM 0 H ILE A 35 5.607 4.453 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 35 7.313 5.328 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 35 5.035 3.441 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.908 5.204 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.285 6.232 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.898 3.440 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.398 2.691 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.427 4.348 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.369 6.841 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.699 6.238 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.301 5.194 -6.550 1.00 0.00 H new ATOM 523 N CYS A 36 7.789 2.332 -6.694 1.00 0.00 N ATOM 524 CA CYS A 36 8.744 1.235 -6.776 1.00 0.00 C ATOM 525 C CYS A 36 10.129 1.784 -7.088 1.00 0.00 C ATOM 526 O CYS A 36 11.078 1.370 -6.433 1.00 0.00 O ATOM 527 CB CYS A 36 8.369 0.190 -7.837 1.00 0.00 C ATOM 528 SG CYS A 36 6.610 -0.231 -7.770 1.00 0.00 S ATOM 0 H CYS A 36 7.035 2.272 -7.378 1.00 0.00 H new ATOM 0 HA CYS A 36 8.732 0.735 -5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.614 0.573 -8.828 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.965 -0.710 -7.687 1.00 0.00 H new ATOM 0 HG CYS A 36 6.295 -0.946 -8.809 1.00 0.00 H new ATOM 534 N ASP A 37 10.231 2.704 -8.055 1.00 0.00 N ATOM 535 CA ASP A 37 11.478 3.333 -8.478 1.00 0.00 C ATOM 536 C ASP A 37 12.224 3.856 -7.271 1.00 0.00 C ATOM 537 O ASP A 37 13.386 3.511 -7.042 1.00 0.00 O ATOM 538 CB ASP A 37 11.192 4.515 -9.419 1.00 0.00 C ATOM 539 CG ASP A 37 11.552 4.180 -10.852 1.00 0.00 C ATOM 540 OD1 ASP A 37 12.761 4.207 -11.178 1.00 0.00 O ATOM 541 OD2 ASP A 37 10.653 3.835 -11.648 1.00 0.00 O ATOM 0 H ASP A 37 9.421 3.038 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 37 12.076 2.585 -8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.137 4.782 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.760 5.387 -9.094 1.00 0.00 H new ATOM 546 N LEU A 38 11.520 4.698 -6.508 1.00 0.00 N ATOM 547 CA LEU A 38 12.086 5.348 -5.351 1.00 0.00 C ATOM 548 C LEU A 38 12.551 4.287 -4.370 1.00 0.00 C ATOM 549 O LEU A 38 13.717 4.305 -3.992 1.00 0.00 O ATOM 550 CB LEU A 38 11.105 6.363 -4.732 1.00 0.00 C ATOM 551 CG LEU A 38 11.355 7.759 -5.331 1.00 0.00 C ATOM 552 CD1 LEU A 38 11.074 7.872 -6.836 1.00 0.00 C ATOM 553 CD2 LEU A 38 10.866 9.000 -4.587 1.00 0.00 C ATOM 0 H LEU A 38 10.545 4.939 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 38 12.954 5.938 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.078 6.053 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.233 6.393 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 38 12.431 7.792 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.278 8.890 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.715 7.178 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.029 7.629 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.129 9.892 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.783 8.951 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.336 9.044 -3.605 1.00 0.00 H new ATOM 565 N LEU A 39 11.679 3.368 -3.949 1.00 0.00 N ATOM 566 CA LEU A 39 12.032 2.402 -2.912 1.00 0.00 C ATOM 567 C LEU A 39 13.205 1.512 -3.327 1.00 0.00 C ATOM 568 O LEU A 39 14.043 1.174 -2.491 1.00 0.00 O ATOM 569 CB LEU A 39 10.856 1.483 -2.574 1.00 0.00 C ATOM 570 CG LEU A 39 9.608 2.164 -2.024 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.389 1.271 -2.247 1.00 0.00 C ATOM 572 CD2 LEU A 39 9.785 2.405 -0.532 1.00 0.00 C ATOM 0 H LEU A 39 10.729 3.274 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 39 12.310 2.998 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.579 0.935 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.195 0.747 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 39 9.459 3.113 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.500 1.763 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.260 1.091 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.536 0.320 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.895 2.892 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.935 1.452 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.653 3.044 -0.367 1.00 0.00 H new ATOM 584 N ARG A 40 13.252 1.099 -4.596 1.00 0.00 N ATOM 585 CA ARG A 40 14.255 0.213 -5.152 1.00 0.00 C ATOM 586 C ARG A 40 15.617 0.887 -5.041 1.00 0.00 C ATOM 587 O ARG A 40 16.538 0.314 -4.465 1.00 0.00 O ATOM 588 CB ARG A 40 13.803 -0.101 -6.593 1.00 0.00 C ATOM 589 CG ARG A 40 14.476 -1.250 -7.320 1.00 0.00 C ATOM 590 CD ARG A 40 15.922 -0.948 -7.659 1.00 0.00 C ATOM 591 NE ARG A 40 16.836 -1.642 -6.744 1.00 0.00 N ATOM 592 CZ ARG A 40 18.143 -1.423 -6.596 1.00 0.00 C ATOM 593 NH1 ARG A 40 18.800 -0.615 -7.416 1.00 0.00 N ATOM 594 NH2 ARG A 40 18.774 -2.043 -5.614 1.00 0.00 N ATOM 0 H ARG A 40 12.559 1.390 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 40 14.357 -0.733 -4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.732 -0.303 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 40 13.944 0.800 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.430 -2.146 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.928 -1.468 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.129 -1.252 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.095 0.127 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 40 16.427 -2.370 -6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.306 -0.148 -8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.800 -0.460 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.261 -2.670 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.774 -1.895 -5.476 1.00 0.00 H new ATOM 608 N SER A 41 15.750 2.098 -5.579 1.00 0.00 N ATOM 609 CA SER A 41 17.006 2.836 -5.569 1.00 0.00 C ATOM 610 C SER A 41 17.331 3.469 -4.206 1.00 0.00 C ATOM 611 O SER A 41 18.415 4.042 -4.049 1.00 0.00 O ATOM 612 CB SER A 41 16.936 3.895 -6.670 1.00 0.00 C ATOM 613 OG SER A 41 16.794 3.253 -7.928 1.00 0.00 O ATOM 0 H SER A 41 14.985 2.595 -6.035 1.00 0.00 H new ATOM 0 HA SER A 41 17.821 2.137 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.095 4.565 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.838 4.507 -6.660 1.00 0.00 H new ATOM 0 HG SER A 41 16.747 3.928 -8.637 1.00 0.00 H new ATOM 619 N SER A 42 16.425 3.410 -3.229 1.00 0.00 N ATOM 620 CA SER A 42 16.607 3.980 -1.903 1.00 0.00 C ATOM 621 C SER A 42 17.353 3.042 -0.958 1.00 0.00 C ATOM 622 O SER A 42 17.488 1.841 -1.199 1.00 0.00 O ATOM 623 CB SER A 42 15.241 4.266 -1.290 1.00 0.00 C ATOM 624 OG SER A 42 14.661 5.410 -1.869 1.00 0.00 O ATOM 0 H SER A 42 15.522 2.951 -3.346 1.00 0.00 H new ATOM 0 HA SER A 42 17.198 4.888 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.585 3.407 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.343 4.410 -0.214 1.00 0.00 H new ATOM 0 HG SER A 42 14.021 5.138 -2.560 1.00 0.00 H new ATOM 630 N HIS A 43 17.768 3.613 0.172 1.00 0.00 N ATOM 631 CA HIS A 43 18.114 2.899 1.385 1.00 0.00 C ATOM 632 C HIS A 43 16.840 2.548 2.159 1.00 0.00 C ATOM 633 O HIS A 43 15.809 3.206 2.006 1.00 0.00 O ATOM 634 CB HIS A 43 19.039 3.808 2.206 1.00 0.00 C ATOM 635 CG HIS A 43 19.733 3.142 3.362 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.905 3.690 4.609 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.411 1.955 3.335 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.628 2.833 5.338 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.001 1.779 4.593 1.00 0.00 N ATOM 0 H HIS A 43 17.874 4.623 0.264 1.00 0.00 H new ATOM 0 HA HIS A 43 18.626 1.963 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.795 4.225 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.454 4.645 2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.479 1.277 2.497 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.877 2.969 6.380 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.596 1.004 4.886 1.00 0.00 H new ATOM 647 N VAL A 44 16.931 1.601 3.096 1.00 0.00 N ATOM 648 CA VAL A 44 15.843 1.289 4.019 1.00 0.00 C ATOM 649 C VAL A 44 15.364 2.535 4.781 1.00 0.00 C ATOM 650 O VAL A 44 14.172 2.673 5.030 1.00 0.00 O ATOM 651 CB VAL A 44 16.262 0.137 4.949 1.00 0.00 C ATOM 652 CG1 VAL A 44 17.478 0.464 5.835 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.068 -0.322 5.789 1.00 0.00 C ATOM 0 H VAL A 44 17.764 1.029 3.234 1.00 0.00 H new ATOM 0 HA VAL A 44 14.979 0.952 3.446 1.00 0.00 H new ATOM 0 HB VAL A 44 16.587 -0.681 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.713 -0.396 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.335 0.698 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.248 1.322 6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 15.376 -1.138 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.706 0.511 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.271 -0.666 5.130 1.00 0.00 H new ATOM 663 N SER A 45 16.269 3.468 5.081 1.00 0.00 N ATOM 664 CA SER A 45 16.014 4.755 5.726 1.00 0.00 C ATOM 665 C SER A 45 15.103 5.678 4.893 1.00 0.00 C ATOM 666 O SER A 45 14.766 6.767 5.356 1.00 0.00 O ATOM 667 CB SER A 45 17.404 5.350 5.972 1.00 0.00 C ATOM 668 OG SER A 45 17.510 6.595 6.631 1.00 0.00 O ATOM 0 H SER A 45 17.258 3.337 4.867 1.00 0.00 H new ATOM 0 HA SER A 45 15.458 4.634 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.976 4.623 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.896 5.447 5.004 1.00 0.00 H new ATOM 0 HG SER A 45 16.681 7.103 6.506 1.00 0.00 H new ATOM 674 N ILE A 46 14.646 5.252 3.710 1.00 0.00 N ATOM 675 CA ILE A 46 13.602 5.911 2.928 1.00 0.00 C ATOM 676 C ILE A 46 12.339 5.037 2.890 1.00 0.00 C ATOM 677 O ILE A 46 11.233 5.574 2.940 1.00 0.00 O ATOM 678 CB ILE A 46 14.095 6.155 1.491 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.583 6.567 1.368 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.232 7.166 0.728 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.944 7.848 2.122 1.00 0.00 C ATOM 0 H ILE A 46 15.007 4.411 3.259 1.00 0.00 H new ATOM 0 HA ILE A 46 13.366 6.866 3.398 1.00 0.00 H new ATOM 0 HB ILE A 46 13.996 5.171 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.206 5.753 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.826 6.699 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.629 7.297 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.207 6.799 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.245 8.123 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.003 8.065 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.350 8.677 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.736 7.716 3.184 1.00 0.00 H new ATOM 693 N VAL A 47 12.505 3.710 2.775 1.00 0.00 N ATOM 694 CA VAL A 47 11.426 2.723 2.712 1.00 0.00 C ATOM 695 C VAL A 47 10.460 2.939 3.862 1.00 0.00 C ATOM 696 O VAL A 47 9.256 2.837 3.650 1.00 0.00 O ATOM 697 CB VAL A 47 11.989 1.284 2.797 1.00 0.00 C ATOM 698 CG1 VAL A 47 10.896 0.205 2.815 1.00 0.00 C ATOM 699 CG2 VAL A 47 12.895 0.977 1.598 1.00 0.00 C ATOM 0 H VAL A 47 13.430 3.284 2.722 1.00 0.00 H new ATOM 0 HA VAL A 47 10.910 2.849 1.760 1.00 0.00 H new ATOM 0 HB VAL A 47 12.541 1.253 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.358 -0.780 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.250 0.356 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.303 0.272 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.278 -0.040 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.323 1.074 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.729 1.678 1.583 1.00 0.00 H new ATOM 709 N LYS A 48 10.972 3.162 5.072 1.00 0.00 N ATOM 710 CA LYS A 48 10.124 3.227 6.252 1.00 0.00 C ATOM 711 C LYS A 48 9.213 4.438 6.156 1.00 0.00 C ATOM 712 O LYS A 48 8.024 4.286 6.404 1.00 0.00 O ATOM 713 CB LYS A 48 10.962 3.237 7.531 1.00 0.00 C ATOM 714 CG LYS A 48 11.873 2.008 7.597 1.00 0.00 C ATOM 715 CD LYS A 48 12.733 1.995 8.858 1.00 0.00 C ATOM 716 CE LYS A 48 12.044 1.213 9.972 1.00 0.00 C ATOM 717 NZ LYS A 48 11.166 2.048 10.819 1.00 0.00 N ATOM 0 H LYS A 48 11.966 3.300 5.256 1.00 0.00 H new ATOM 0 HA LYS A 48 9.500 2.335 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.565 4.144 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.305 3.255 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.264 1.104 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.518 1.989 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.702 1.548 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.921 3.017 9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.454 0.410 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.802 0.744 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.960 1.546 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.643 2.947 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.277 2.239 10.315 1.00 0.00 H new ATOM 731 N GLU A 49 9.727 5.593 5.725 1.00 0.00 N ATOM 732 CA GLU A 49 8.931 6.804 5.570 1.00 0.00 C ATOM 733 C GLU A 49 7.759 6.496 4.647 1.00 0.00 C ATOM 734 O GLU A 49 6.607 6.770 4.985 1.00 0.00 O ATOM 735 CB GLU A 49 9.766 7.957 4.973 1.00 0.00 C ATOM 736 CG GLU A 49 9.995 9.125 5.943 1.00 0.00 C ATOM 737 CD GLU A 49 11.297 8.932 6.707 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.332 8.106 7.651 1.00 0.00 O ATOM 739 OE2 GLU A 49 12.329 9.508 6.285 1.00 0.00 O ATOM 0 H GLU A 49 10.709 5.710 5.474 1.00 0.00 H new ATOM 0 HA GLU A 49 8.579 7.121 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.733 7.566 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.265 8.331 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.026 10.064 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.162 9.194 6.643 1.00 0.00 H new ATOM 746 N PHE A 50 8.086 5.918 3.488 1.00 0.00 N ATOM 747 CA PHE A 50 7.129 5.526 2.478 1.00 0.00 C ATOM 748 C PHE A 50 6.117 4.525 3.011 1.00 0.00 C ATOM 749 O PHE A 50 4.933 4.645 2.704 1.00 0.00 O ATOM 750 CB PHE A 50 7.856 4.906 1.292 1.00 0.00 C ATOM 751 CG PHE A 50 8.431 5.860 0.281 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.553 6.683 -0.438 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.788 5.794 -0.072 1.00 0.00 C ATOM 754 CE1 PHE A 50 8.004 7.386 -1.560 1.00 0.00 C ATOM 755 CE2 PHE A 50 10.246 6.498 -1.195 1.00 0.00 C ATOM 756 CZ PHE A 50 9.341 7.253 -1.962 1.00 0.00 C ATOM 0 H PHE A 50 9.051 5.709 3.230 1.00 0.00 H new ATOM 0 HA PHE A 50 6.593 6.425 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.667 4.286 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.163 4.241 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.524 6.775 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.475 5.205 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.330 8.025 -2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.290 6.460 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.678 7.734 -2.868 1.00 0.00 H new ATOM 766 N SER A 51 6.577 3.501 3.733 1.00 0.00 N ATOM 767 CA SER A 51 5.739 2.434 4.210 1.00 0.00 C ATOM 768 C SER A 51 4.741 3.067 5.145 1.00 0.00 C ATOM 769 O SER A 51 3.556 2.865 4.975 1.00 0.00 O ATOM 770 CB SER A 51 6.566 1.375 4.930 1.00 0.00 C ATOM 771 OG SER A 51 6.745 0.258 4.093 1.00 0.00 O ATOM 0 H SER A 51 7.557 3.402 3.998 1.00 0.00 H new ATOM 0 HA SER A 51 5.237 1.928 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.534 1.787 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.066 1.074 5.851 1.00 0.00 H new ATOM 0 HG SER A 51 6.870 0.559 3.169 1.00 0.00 H new ATOM 777 N GLU A 52 5.186 3.884 6.086 1.00 0.00 N ATOM 778 CA GLU A 52 4.292 4.588 6.974 1.00 0.00 C ATOM 779 C GLU A 52 3.266 5.425 6.222 1.00 0.00 C ATOM 780 O GLU A 52 2.094 5.345 6.575 1.00 0.00 O ATOM 781 CB GLU A 52 5.120 5.397 7.950 1.00 0.00 C ATOM 782 CG GLU A 52 5.854 4.450 8.904 1.00 0.00 C ATOM 783 CD GLU A 52 6.200 5.150 10.207 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.299 5.373 11.047 1.00 0.00 O ATOM 785 OE2 GLU A 52 7.387 5.504 10.411 1.00 0.00 O ATOM 0 H GLU A 52 6.175 4.073 6.251 1.00 0.00 H new ATOM 0 HA GLU A 52 3.697 3.868 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.838 6.015 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.478 6.074 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.231 3.580 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.765 4.085 8.430 1.00 0.00 H new ATOM 792 N PHE A 53 3.637 6.159 5.168 1.00 0.00 N ATOM 793 CA PHE A 53 2.633 6.910 4.428 1.00 0.00 C ATOM 794 C PHE A 53 1.572 5.973 3.826 1.00 0.00 C ATOM 795 O PHE A 53 0.422 6.393 3.654 1.00 0.00 O ATOM 796 CB PHE A 53 3.277 7.744 3.310 1.00 0.00 C ATOM 797 CG PHE A 53 4.426 8.652 3.700 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.404 9.342 4.924 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.527 8.808 2.834 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.497 10.130 5.309 1.00 0.00 C ATOM 801 CE2 PHE A 53 6.629 9.587 3.229 1.00 0.00 C ATOM 802 CZ PHE A 53 6.626 10.223 4.481 1.00 0.00 C ATOM 0 H PHE A 53 4.592 6.245 4.821 1.00 0.00 H new ATOM 0 HA PHE A 53 2.148 7.584 5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.633 7.060 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.500 8.358 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.542 9.265 5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.524 8.329 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.470 10.667 6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.477 9.696 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.491 10.782 4.806 1.00 0.00 H new ATOM 812 N ILE A 54 1.943 4.732 3.473 1.00 0.00 N ATOM 813 CA ILE A 54 1.040 3.720 2.951 1.00 0.00 C ATOM 814 C ILE A 54 0.201 3.139 4.080 1.00 0.00 C ATOM 815 O ILE A 54 -1.016 3.088 3.947 1.00 0.00 O ATOM 816 CB ILE A 54 1.844 2.626 2.220 1.00 0.00 C ATOM 817 CG1 ILE A 54 2.536 3.216 0.973 1.00 0.00 C ATOM 818 CG2 ILE A 54 0.977 1.426 1.825 1.00 0.00 C ATOM 819 CD1 ILE A 54 3.633 2.322 0.409 1.00 0.00 C ATOM 0 H ILE A 54 2.907 4.406 3.549 1.00 0.00 H new ATOM 0 HA ILE A 54 0.360 4.174 2.230 1.00 0.00 H new ATOM 0 HB ILE A 54 2.598 2.262 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.788 3.391 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.963 4.186 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.592 0.685 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.542 0.981 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.179 1.757 1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.076 2.798 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.401 2.167 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.207 1.361 0.122 1.00 0.00 H new ATOM 831 N LEU A 55 0.828 2.640 5.139 1.00 0.00 N ATOM 832 CA LEU A 55 0.183 1.844 6.169 1.00 0.00 C ATOM 833 C LEU A 55 -0.878 2.696 6.868 1.00 0.00 C ATOM 834 O LEU A 55 -1.998 2.233 7.086 1.00 0.00 O ATOM 835 CB LEU A 55 1.209 1.324 7.177 1.00 0.00 C ATOM 836 CG LEU A 55 2.380 0.484 6.647 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.530 0.714 7.636 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.034 -0.996 6.477 1.00 0.00 C ATOM 0 H LEU A 55 1.824 2.783 5.307 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.294 0.979 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.626 2.183 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.677 0.726 7.916 1.00 0.00 H new ATOM 0 HG LEU A 55 2.654 0.795 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.402 0.143 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.781 1.774 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.225 0.389 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.905 -1.532 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.740 -1.414 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.211 -1.098 5.770 1.00 0.00 H new ATOM 850 N LYS A 56 -0.563 3.971 7.132 1.00 0.00 N ATOM 851 CA LYS A 56 -1.496 4.923 7.733 1.00 0.00 C ATOM 852 C LYS A 56 -2.730 5.135 6.858 1.00 0.00 C ATOM 853 O LYS A 56 -3.761 5.548 7.391 1.00 0.00 O ATOM 854 CB LYS A 56 -0.806 6.277 7.993 1.00 0.00 C ATOM 855 CG LYS A 56 0.388 6.197 8.958 1.00 0.00 C ATOM 856 CD LYS A 56 0.023 6.030 10.429 1.00 0.00 C ATOM 857 CE LYS A 56 1.282 5.582 11.183 1.00 0.00 C ATOM 858 NZ LYS A 56 1.870 6.624 12.049 1.00 0.00 N ATOM 0 H LYS A 56 0.354 4.370 6.932 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.820 4.497 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.465 6.687 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.540 6.975 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.020 5.361 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.985 7.103 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.352 6.969 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.772 5.293 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.037 4.713 11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.031 5.261 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.715 6.245 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.137 7.446 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.173 6.915 12.764 1.00 0.00 H new ATOM 872 N ARG A 57 -2.654 4.870 5.545 1.00 0.00 N ATOM 873 CA ARG A 57 -3.789 5.006 4.641 1.00 0.00 C ATOM 874 C ARG A 57 -4.893 4.015 5.017 1.00 0.00 C ATOM 875 O ARG A 57 -6.069 4.297 4.801 1.00 0.00 O ATOM 876 CB ARG A 57 -3.343 4.787 3.185 1.00 0.00 C ATOM 877 CG ARG A 57 -4.129 5.635 2.175 1.00 0.00 C ATOM 878 CD ARG A 57 -4.030 7.148 2.397 1.00 0.00 C ATOM 879 NE ARG A 57 -2.662 7.545 2.751 1.00 0.00 N ATOM 880 CZ ARG A 57 -2.256 8.738 3.177 1.00 0.00 C ATOM 881 NH1 ARG A 57 -3.076 9.778 3.254 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.992 8.871 3.542 1.00 0.00 N ATOM 0 H ARG A 57 -1.799 4.555 5.087 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.187 6.017 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.282 5.022 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.458 3.733 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.772 5.404 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.178 5.343 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.341 7.672 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.715 7.447 3.190 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.943 6.827 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.054 9.678 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.729 10.678 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.360 8.072 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.649 9.773 3.873 1.00 0.00 H new ATOM 896 N LEU A 58 -4.518 2.841 5.536 1.00 0.00 N ATOM 897 CA LEU A 58 -5.446 1.754 5.827 1.00 0.00 C ATOM 898 C LEU A 58 -6.223 2.002 7.113 1.00 0.00 C ATOM 899 O LEU A 58 -7.299 1.431 7.307 1.00 0.00 O ATOM 900 CB LEU A 58 -4.727 0.397 5.877 1.00 0.00 C ATOM 901 CG LEU A 58 -4.166 -0.136 4.540 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.075 0.038 3.321 1.00 0.00 C ATOM 903 CD2 LEU A 58 -2.841 0.501 4.161 1.00 0.00 C ATOM 0 H LEU A 58 -3.549 2.621 5.767 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.164 1.724 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.903 0.474 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.422 -0.343 6.274 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.064 -1.199 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.582 -0.371 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.014 -0.489 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.277 1.098 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.496 0.087 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.971 1.579 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.103 0.295 4.936 1.00 0.00 H new ATOM 915 N ASP A 59 -5.706 2.867 7.983 1.00 0.00 N ATOM 916 CA ASP A 59 -6.336 3.188 9.256 1.00 0.00 C ATOM 917 C ASP A 59 -7.591 4.058 9.069 1.00 0.00 C ATOM 918 O ASP A 59 -8.462 4.091 9.938 1.00 0.00 O ATOM 919 CB ASP A 59 -5.301 3.883 10.146 1.00 0.00 C ATOM 920 CG ASP A 59 -5.601 3.755 11.642 1.00 0.00 C ATOM 921 OD1 ASP A 59 -6.313 2.830 12.094 1.00 0.00 O ATOM 922 OD2 ASP A 59 -4.960 4.508 12.409 1.00 0.00 O ATOM 0 H ASP A 59 -4.832 3.367 7.821 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.673 2.268 9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.317 3.461 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.256 4.939 9.881 1.00 0.00 H new ATOM 927 N ASN A 60 -7.686 4.742 7.923 1.00 0.00 N ATOM 928 CA ASN A 60 -8.621 5.827 7.607 1.00 0.00 C ATOM 929 C ASN A 60 -10.080 5.368 7.473 1.00 0.00 C ATOM 930 O ASN A 60 -10.350 4.193 7.232 1.00 0.00 O ATOM 931 CB ASN A 60 -8.141 6.450 6.288 1.00 0.00 C ATOM 932 CG ASN A 60 -8.695 7.849 6.063 1.00 0.00 C ATOM 933 OD1 ASN A 60 -9.856 8.033 5.711 1.00 0.00 O ATOM 934 ND2 ASN A 60 -7.868 8.862 6.223 1.00 0.00 N ATOM 0 H ASN A 60 -7.068 4.537 7.138 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.621 6.541 8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.052 6.490 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.438 5.808 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.190 9.815 6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.906 8.693 6.516 1.00 0.00 H new ATOM 941 N LYS A 61 -11.057 6.275 7.555 1.00 0.00 N ATOM 942 CA LYS A 61 -12.463 5.970 7.272 1.00 0.00 C ATOM 943 C LYS A 61 -12.765 5.887 5.779 1.00 0.00 C ATOM 944 O LYS A 61 -13.469 4.956 5.379 1.00 0.00 O ATOM 945 CB LYS A 61 -13.392 6.974 7.970 1.00 0.00 C ATOM 946 CG LYS A 61 -13.754 6.455 9.368 1.00 0.00 C ATOM 947 CD LYS A 61 -14.779 7.363 10.054 1.00 0.00 C ATOM 948 CE LYS A 61 -15.327 6.726 11.336 1.00 0.00 C ATOM 949 NZ LYS A 61 -16.199 5.561 11.070 1.00 0.00 N ATOM 0 H LYS A 61 -10.895 7.246 7.821 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.655 4.977 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.903 7.945 8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.297 7.119 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.156 5.445 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.854 6.394 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.316 8.321 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.601 7.568 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.494 6.414 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.888 7.474 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.700 5.296 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.891 5.806 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.619 4.760 10.747 1.00 0.00 H new ATOM 963 N SER A 62 -12.272 6.811 4.956 1.00 0.00 N ATOM 964 CA SER A 62 -12.527 6.882 3.520 1.00 0.00 C ATOM 965 C SER A 62 -12.237 5.533 2.861 1.00 0.00 C ATOM 966 O SER A 62 -11.079 5.112 2.814 1.00 0.00 O ATOM 967 CB SER A 62 -11.669 7.992 2.913 1.00 0.00 C ATOM 968 OG SER A 62 -12.015 9.259 3.434 1.00 0.00 O ATOM 0 H SER A 62 -11.661 7.559 5.285 1.00 0.00 H new ATOM 0 HA SER A 62 -13.577 7.114 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.617 7.790 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.792 7.997 1.830 1.00 0.00 H new ATOM 0 HG SER A 62 -11.827 9.950 2.765 1.00 0.00 H new ATOM 974 N PRO A 63 -13.251 4.810 2.352 1.00 0.00 N ATOM 975 CA PRO A 63 -13.025 3.481 1.803 1.00 0.00 C ATOM 976 C PRO A 63 -12.123 3.551 0.569 1.00 0.00 C ATOM 977 O PRO A 63 -11.358 2.637 0.289 1.00 0.00 O ATOM 978 CB PRO A 63 -14.422 2.924 1.512 1.00 0.00 C ATOM 979 CG PRO A 63 -15.320 4.152 1.369 1.00 0.00 C ATOM 980 CD PRO A 63 -14.669 5.154 2.315 1.00 0.00 C ATOM 0 HA PRO A 63 -12.495 2.821 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.425 2.325 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.764 2.277 2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.343 4.520 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.350 3.936 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.814 6.175 1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.111 5.095 3.310 1.00 0.00 H new ATOM 988 N ILE A 64 -12.162 4.661 -0.155 1.00 0.00 N ATOM 989 CA ILE A 64 -11.478 4.829 -1.427 1.00 0.00 C ATOM 990 C ILE A 64 -9.983 4.933 -1.164 1.00 0.00 C ATOM 991 O ILE A 64 -9.188 4.268 -1.823 1.00 0.00 O ATOM 992 CB ILE A 64 -12.005 6.092 -2.128 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.550 6.143 -2.167 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.391 6.174 -3.536 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.118 7.522 -1.850 1.00 0.00 C ATOM 0 H ILE A 64 -12.683 5.489 0.134 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.665 3.976 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.699 6.966 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.892 5.836 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.948 5.421 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.759 7.067 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.305 6.223 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.674 5.290 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.206 7.486 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.806 7.823 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.748 8.244 -2.578 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.618 5.756 -0.180 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.252 5.949 0.263 1.00 0.00 C ATOM 1009 C VAL A 65 -7.658 4.597 0.645 1.00 0.00 C ATOM 1010 O VAL A 65 -6.495 4.325 0.339 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.256 7.009 1.394 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.003 6.496 2.815 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.303 8.162 1.088 1.00 0.00 C ATOM 0 H VAL A 65 -10.290 6.319 0.341 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.605 6.340 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.290 7.353 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.031 7.332 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.773 5.773 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.025 6.018 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.333 8.885 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.289 7.777 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.606 8.648 0.161 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.466 3.739 1.285 1.00 0.00 N ATOM 1024 CA LYS A 66 -8.024 2.400 1.627 1.00 0.00 C ATOM 1025 C LYS A 66 -7.791 1.674 0.324 1.00 0.00 C ATOM 1026 O LYS A 66 -6.667 1.259 0.059 1.00 0.00 O ATOM 1027 CB LYS A 66 -9.041 1.653 2.515 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.731 1.790 4.007 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.794 2.508 4.820 1.00 0.00 C ATOM 1030 CE LYS A 66 -11.111 1.736 4.954 1.00 0.00 C ATOM 1031 NZ LYS A 66 -12.085 2.492 5.776 1.00 0.00 N ATOM 0 H LYS A 66 -9.421 3.956 1.570 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.110 2.448 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.041 2.039 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.048 0.597 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.586 0.794 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.787 2.324 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.400 2.708 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.998 3.474 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.530 1.550 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.923 0.763 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.876 1.869 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.617 2.838 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.447 3.300 5.230 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.849 1.507 -0.474 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.839 0.649 -1.644 1.00 0.00 C ATOM 1047 C GLN A 67 -7.648 0.973 -2.550 1.00 0.00 C ATOM 1048 O GLN A 67 -6.941 0.074 -3.015 1.00 0.00 O ATOM 1049 CB GLN A 67 -10.180 0.735 -2.390 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.351 -0.484 -3.316 1.00 0.00 C ATOM 1051 CD GLN A 67 -10.907 -0.125 -4.684 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -12.106 0.004 -4.901 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -10.064 -0.095 -5.688 1.00 0.00 N ATOM 0 H GLN A 67 -9.743 1.973 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.717 -0.384 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.001 0.775 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.221 1.654 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.386 -0.975 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.016 -1.204 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.064 -0.201 -5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.408 0.035 -6.639 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.393 2.260 -2.774 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.282 2.735 -3.574 1.00 0.00 C ATOM 1064 C LYS A 68 -4.920 2.307 -3.024 1.00 0.00 C ATOM 1065 O LYS A 68 -4.087 1.886 -3.830 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.371 4.257 -3.710 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.356 4.743 -4.788 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.233 6.260 -5.013 1.00 0.00 C ATOM 1069 CE LYS A 68 -7.990 6.717 -6.259 1.00 0.00 C ATOM 1070 NZ LYS A 68 -7.720 8.122 -6.628 1.00 0.00 N ATOM 0 H LYS A 68 -7.968 3.012 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.360 2.272 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.666 4.679 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.379 4.648 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.163 4.217 -5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.375 4.499 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.618 6.788 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.181 6.528 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.721 6.072 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.060 6.592 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.080 8.304 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.195 8.755 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.695 8.296 -6.604 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.666 2.409 -1.714 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.400 1.995 -1.118 1.00 0.00 C ATOM 1086 C ALA A 69 -3.160 0.502 -1.309 1.00 0.00 C ATOM 1087 O ALA A 69 -2.018 0.085 -1.491 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.383 2.328 0.380 1.00 0.00 C ATOM 0 H ALA A 69 -5.336 2.782 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.603 2.541 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.433 2.014 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.505 3.403 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.199 1.804 0.878 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.218 -0.315 -1.280 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.062 -1.767 -1.249 1.00 0.00 C ATOM 1096 C LEU A 70 -3.353 -2.221 -2.523 1.00 0.00 C ATOM 1097 O LEU A 70 -2.349 -2.926 -2.469 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.424 -2.486 -1.112 1.00 0.00 C ATOM 1099 CG LEU A 70 -6.386 -2.091 0.029 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.806 -2.544 -0.276 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -6.081 -2.614 1.422 1.00 0.00 C ATOM 0 H LEU A 70 -5.186 0.006 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.466 -2.031 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.960 -2.350 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.221 -3.552 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.254 -1.009 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.464 -2.254 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.147 -2.075 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.825 -3.628 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.839 -2.257 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.084 -3.704 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.101 -2.257 1.738 1.00 0.00 H new ATOM 1113 N ARG A 71 -3.836 -1.775 -3.689 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.226 -2.176 -4.953 1.00 0.00 C ATOM 1115 C ARG A 71 -1.847 -1.566 -5.187 1.00 0.00 C ATOM 1116 O ARG A 71 -1.117 -2.076 -6.036 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.152 -1.902 -6.140 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.295 -0.405 -6.476 1.00 0.00 C ATOM 1119 CD ARG A 71 -4.960 -0.229 -7.845 1.00 0.00 C ATOM 1120 NE ARG A 71 -4.132 -0.811 -8.919 1.00 0.00 N ATOM 1121 CZ ARG A 71 -4.514 -1.129 -10.155 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -5.758 -0.913 -10.565 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -3.636 -1.683 -10.975 1.00 0.00 N ATOM 0 H ARG A 71 -4.634 -1.147 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.075 -3.253 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.772 -2.428 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.138 -2.313 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.889 0.092 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.314 0.070 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.941 -0.705 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.121 0.831 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.155 -0.990 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.439 -0.497 -9.930 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.033 -1.163 -11.515 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.683 -1.861 -10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.912 -1.933 -11.925 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.506 -0.465 -4.510 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.146 0.058 -4.544 1.00 0.00 C ATOM 1139 C LEU A 72 0.768 -0.945 -3.851 1.00 0.00 C ATOM 1140 O LEU A 72 1.868 -1.181 -4.340 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.066 1.448 -3.879 1.00 0.00 C ATOM 1142 CG LEU A 72 1.368 1.984 -3.685 1.00 0.00 C ATOM 1143 CD1 LEU A 72 2.047 2.277 -5.020 1.00 0.00 C ATOM 1144 CD2 LEU A 72 1.343 3.260 -2.852 1.00 0.00 C ATOM 0 H LEU A 72 -2.153 0.076 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 72 0.174 0.190 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.627 2.159 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.557 1.400 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 72 1.937 1.210 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.055 2.652 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.100 1.362 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.472 3.026 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.360 3.629 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.745 4.016 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.906 3.049 -1.876 1.00 0.00 H new ATOM 1156 N ILE A 73 0.323 -1.520 -2.725 1.00 0.00 N ATOM 1157 CA ILE A 73 1.161 -2.370 -1.896 1.00 0.00 C ATOM 1158 C ILE A 73 1.566 -3.563 -2.751 1.00 0.00 C ATOM 1159 O ILE A 73 2.707 -3.653 -3.179 1.00 0.00 O ATOM 1160 CB ILE A 73 0.480 -2.745 -0.565 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.359 -1.507 0.340 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.317 -3.790 0.196 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.731 -1.638 1.405 1.00 0.00 C ATOM 0 H ILE A 73 -0.627 -1.404 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 73 2.059 -1.842 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.505 -3.146 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.316 -1.329 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.150 -0.633 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.820 -4.042 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.419 -4.688 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.305 -3.381 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.762 -0.730 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.697 -1.785 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.512 -2.492 2.046 1.00 0.00 H new ATOM 1175 N LYS A 74 0.623 -4.446 -3.065 1.00 0.00 N ATOM 1176 CA LYS A 74 0.861 -5.667 -3.836 1.00 0.00 C ATOM 1177 C LYS A 74 1.617 -5.489 -5.155 1.00 0.00 C ATOM 1178 O LYS A 74 2.104 -6.485 -5.685 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.468 -6.393 -4.116 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.496 -5.481 -4.803 1.00 0.00 C ATOM 1181 CD LYS A 74 -2.363 -6.281 -5.783 1.00 0.00 C ATOM 1182 CE LYS A 74 -3.253 -5.361 -6.618 1.00 0.00 C ATOM 1183 NZ LYS A 74 -4.128 -6.109 -7.546 1.00 0.00 N ATOM 0 H LYS A 74 -0.351 -4.332 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 74 1.518 -6.259 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.279 -7.263 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.883 -6.762 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.129 -5.009 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.981 -4.681 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.723 -6.868 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.983 -6.987 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.868 -4.754 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.627 -4.674 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.711 -5.440 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.543 -6.668 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.746 -6.746 -7.003 1.00 0.00 H new ATOM 1197 N TYR A 75 1.660 -4.291 -5.735 1.00 0.00 N ATOM 1198 CA TYR A 75 2.434 -4.050 -6.938 1.00 0.00 C ATOM 1199 C TYR A 75 3.897 -3.763 -6.580 1.00 0.00 C ATOM 1200 O TYR A 75 4.792 -4.354 -7.179 1.00 0.00 O ATOM 1201 CB TYR A 75 1.773 -2.936 -7.748 1.00 0.00 C ATOM 1202 CG TYR A 75 2.462 -2.559 -9.053 1.00 0.00 C ATOM 1203 CD1 TYR A 75 3.170 -3.504 -9.828 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.369 -1.234 -9.507 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.774 -3.120 -11.038 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.971 -0.841 -10.713 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.683 -1.782 -11.483 1.00 0.00 C ATOM 1208 OH TYR A 75 4.263 -1.405 -12.652 1.00 0.00 O ATOM 0 H TYR A 75 1.163 -3.472 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 75 2.448 -4.939 -7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.750 -3.237 -7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.713 -2.046 -7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.248 -4.527 -9.489 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.827 -0.507 -8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.309 -3.849 -11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.888 0.182 -11.050 1.00 0.00 H new ATOM 0 HH TYR A 75 3.577 -1.059 -13.261 1.00 0.00 H new ATOM 1218 N ALA A 76 4.150 -2.877 -5.610 1.00 0.00 N ATOM 1219 CA ALA A 76 5.494 -2.533 -5.157 1.00 0.00 C ATOM 1220 C ALA A 76 6.136 -3.642 -4.302 1.00 0.00 C ATOM 1221 O ALA A 76 7.362 -3.799 -4.293 1.00 0.00 O ATOM 1222 CB ALA A 76 5.403 -1.219 -4.373 1.00 0.00 C ATOM 0 H ALA A 76 3.414 -2.374 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 76 6.142 -2.420 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.395 -0.936 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.011 -0.435 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.739 -1.350 -3.519 1.00 0.00 H new ATOM 1228 N VAL A 77 5.326 -4.416 -3.572 1.00 0.00 N ATOM 1229 CA VAL A 77 5.757 -5.595 -2.851 1.00 0.00 C ATOM 1230 C VAL A 77 6.184 -6.595 -3.912 1.00 0.00 C ATOM 1231 O VAL A 77 5.403 -6.984 -4.783 1.00 0.00 O ATOM 1232 CB VAL A 77 4.683 -6.196 -1.925 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.355 -7.326 -1.143 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.168 -5.285 -0.811 1.00 0.00 C ATOM 0 H VAL A 77 4.329 -4.226 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 77 6.569 -5.329 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 77 3.855 -6.452 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.630 -7.784 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.730 -8.077 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.185 -6.923 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.417 -5.815 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.997 -4.997 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.722 -4.392 -1.248 1.00 0.00 H new ATOM 1244 N GLY A 78 7.441 -6.989 -3.819 1.00 0.00 N ATOM 1245 CA GLY A 78 8.054 -7.930 -4.739 1.00 0.00 C ATOM 1246 C GLY A 78 8.826 -7.218 -5.861 1.00 0.00 C ATOM 1247 O GLY A 78 9.173 -7.863 -6.851 1.00 0.00 O ATOM 0 H GLY A 78 8.075 -6.659 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.732 -8.584 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.283 -8.565 -5.176 1.00 0.00 H new ATOM 1251 N LYS A 79 9.111 -5.911 -5.732 1.00 0.00 N ATOM 1252 CA LYS A 79 9.927 -5.125 -6.677 1.00 0.00 C ATOM 1253 C LYS A 79 11.079 -4.411 -5.990 1.00 0.00 C ATOM 1254 O LYS A 79 12.214 -4.479 -6.466 1.00 0.00 O ATOM 1255 CB LYS A 79 9.085 -4.053 -7.380 1.00 0.00 C ATOM 1256 CG LYS A 79 8.105 -4.659 -8.373 1.00 0.00 C ATOM 1257 CD LYS A 79 7.444 -3.536 -9.181 1.00 0.00 C ATOM 1258 CE LYS A 79 6.941 -4.053 -10.522 1.00 0.00 C ATOM 1259 NZ LYS A 79 8.046 -4.337 -11.463 1.00 0.00 N ATOM 0 H LYS A 79 8.772 -5.356 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 79 10.317 -5.846 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.536 -3.477 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.744 -3.357 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.624 -5.346 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.347 -5.238 -7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.613 -3.116 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.160 -2.730 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.359 -4.961 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.270 -3.317 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.670 -4.405 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.747 -3.570 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.500 -5.236 -11.204 1.00 0.00 H new ATOM 1273 N SER A 80 10.757 -3.713 -4.901 1.00 0.00 N ATOM 1274 CA SER A 80 11.636 -2.847 -4.136 1.00 0.00 C ATOM 1275 C SER A 80 12.971 -3.547 -3.859 1.00 0.00 C ATOM 1276 O SER A 80 14.009 -3.153 -4.383 1.00 0.00 O ATOM 1277 CB SER A 80 10.841 -2.495 -2.873 1.00 0.00 C ATOM 1278 OG SER A 80 11.489 -1.655 -1.944 1.00 0.00 O ATOM 0 H SER A 80 9.815 -3.743 -4.510 1.00 0.00 H new ATOM 0 HA SER A 80 11.916 -1.936 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.910 -2.016 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.573 -3.423 -2.367 1.00 0.00 H new ATOM 0 HG SER A 80 11.712 -2.168 -1.139 1.00 0.00 H new ATOM 1284 N GLY A 81 12.960 -4.593 -3.037 1.00 0.00 N ATOM 1285 CA GLY A 81 14.159 -5.248 -2.549 1.00 0.00 C ATOM 1286 C GLY A 81 13.797 -6.118 -1.354 1.00 0.00 C ATOM 1287 O GLY A 81 12.636 -6.531 -1.209 1.00 0.00 O ATOM 0 H GLY A 81 12.099 -5.013 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.603 -5.856 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.904 -4.505 -2.262 1.00 0.00 H new ATOM 1291 N SER A 82 14.782 -6.431 -0.509 1.00 0.00 N ATOM 1292 CA SER A 82 14.522 -7.156 0.727 1.00 0.00 C ATOM 1293 C SER A 82 13.849 -6.255 1.769 1.00 0.00 C ATOM 1294 O SER A 82 13.315 -6.754 2.753 1.00 0.00 O ATOM 1295 CB SER A 82 15.818 -7.765 1.284 1.00 0.00 C ATOM 1296 OG SER A 82 16.616 -6.796 1.944 1.00 0.00 O ATOM 0 H SER A 82 15.762 -6.193 -0.661 1.00 0.00 H new ATOM 0 HA SER A 82 13.834 -7.970 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.572 -8.568 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.389 -8.212 0.470 1.00 0.00 H new ATOM 0 HG SER A 82 16.724 -6.012 1.366 1.00 0.00 H new ATOM 1302 N GLU A 83 13.907 -4.934 1.615 1.00 0.00 N ATOM 1303 CA GLU A 83 13.611 -3.981 2.673 1.00 0.00 C ATOM 1304 C GLU A 83 12.091 -3.892 2.824 1.00 0.00 C ATOM 1305 O GLU A 83 11.511 -4.370 3.800 1.00 0.00 O ATOM 1306 CB GLU A 83 14.261 -2.619 2.353 1.00 0.00 C ATOM 1307 CG GLU A 83 15.794 -2.645 2.166 1.00 0.00 C ATOM 1308 CD GLU A 83 16.273 -3.307 0.864 1.00 0.00 C ATOM 1309 OE1 GLU A 83 15.486 -3.388 -0.105 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.422 -3.799 0.791 1.00 0.00 O ATOM 0 H GLU A 83 14.166 -4.491 0.733 1.00 0.00 H new ATOM 0 HA GLU A 83 14.031 -4.306 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.808 -2.224 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.022 -1.923 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.167 -1.621 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.240 -3.171 3.010 1.00 0.00 H new ATOM 1317 N PHE A 84 11.419 -3.344 1.809 1.00 0.00 N ATOM 1318 CA PHE A 84 9.971 -3.170 1.809 1.00 0.00 C ATOM 1319 C PHE A 84 9.229 -4.502 1.974 1.00 0.00 C ATOM 1320 O PHE A 84 8.117 -4.509 2.511 1.00 0.00 O ATOM 1321 CB PHE A 84 9.569 -2.454 0.520 1.00 0.00 C ATOM 1322 CG PHE A 84 8.093 -2.141 0.400 1.00 0.00 C ATOM 1323 CD1 PHE A 84 7.478 -1.189 1.238 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.329 -2.805 -0.573 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.106 -0.909 1.104 1.00 0.00 C ATOM 1326 CE2 PHE A 84 5.960 -2.532 -0.692 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.339 -1.594 0.148 1.00 0.00 C ATOM 0 H PHE A 84 11.871 -3.007 0.959 1.00 0.00 H new ATOM 0 HA PHE A 84 9.684 -2.564 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.130 -1.522 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.865 -3.070 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.062 -0.673 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.796 -3.525 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.642 -0.167 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.376 -3.049 -1.439 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.280 -1.401 0.060 1.00 0.00 H new ATOM 1337 N ARG A 85 9.816 -5.638 1.551 1.00 0.00 N ATOM 1338 CA ARG A 85 9.130 -6.925 1.714 1.00 0.00 C ATOM 1339 C ARG A 85 9.093 -7.362 3.177 1.00 0.00 C ATOM 1340 O ARG A 85 8.347 -8.281 3.491 1.00 0.00 O ATOM 1341 CB ARG A 85 9.657 -8.039 0.781 1.00 0.00 C ATOM 1342 CG ARG A 85 11.037 -8.602 1.151 1.00 0.00 C ATOM 1343 CD ARG A 85 11.403 -9.884 0.387 1.00 0.00 C ATOM 1344 NE ARG A 85 11.687 -9.649 -1.047 1.00 0.00 N ATOM 1345 CZ ARG A 85 11.330 -10.424 -2.089 1.00 0.00 C ATOM 1346 NH1 ARG A 85 10.590 -11.514 -1.935 1.00 0.00 N ATOM 1347 NH2 ARG A 85 11.722 -10.095 -3.313 1.00 0.00 N ATOM 0 H ARG A 85 10.734 -5.689 1.108 1.00 0.00 H new ATOM 0 HA ARG A 85 8.102 -6.755 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.937 -8.858 0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.702 -7.648 -0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.794 -7.843 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.061 -8.807 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.276 -10.340 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.584 -10.598 0.476 1.00 0.00 H new ATOM 0 HE ARG A 85 12.213 -8.804 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.273 -11.788 -1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.338 -12.078 -2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.290 -9.260 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.456 -10.677 -4.107 1.00 0.00 H new ATOM 1361 N ARG A 86 9.846 -6.726 4.084 1.00 0.00 N ATOM 1362 CA ARG A 86 9.754 -6.971 5.523 1.00 0.00 C ATOM 1363 C ARG A 86 9.042 -5.831 6.226 1.00 0.00 C ATOM 1364 O ARG A 86 8.313 -6.104 7.177 1.00 0.00 O ATOM 1365 CB ARG A 86 11.146 -7.159 6.134 1.00 0.00 C ATOM 1366 CG ARG A 86 11.989 -8.252 5.469 1.00 0.00 C ATOM 1367 CD ARG A 86 11.303 -9.616 5.399 1.00 0.00 C ATOM 1368 NE ARG A 86 12.285 -10.691 5.215 1.00 0.00 N ATOM 1369 CZ ARG A 86 12.060 -11.999 5.356 1.00 0.00 C ATOM 1370 NH1 ARG A 86 10.866 -12.451 5.718 1.00 0.00 N ATOM 1371 NH2 ARG A 86 13.035 -12.863 5.145 1.00 0.00 N ATOM 0 H ARG A 86 10.541 -6.022 3.834 1.00 0.00 H new ATOM 0 HA ARG A 86 9.177 -7.885 5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.686 -6.214 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.036 -7.396 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.244 -7.934 4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.926 -8.356 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.736 -9.789 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.589 -9.626 4.575 1.00 0.00 H new ATOM 0 HE ARG A 86 13.231 -10.412 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.104 -11.796 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.710 -13.454 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.961 -12.531 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.863 -13.863 5.253 1.00 0.00 H new ATOM 1385 N GLU A 87 9.171 -4.587 5.751 1.00 0.00 N ATOM 1386 CA GLU A 87 8.410 -3.437 6.247 1.00 0.00 C ATOM 1387 C GLU A 87 6.923 -3.775 6.230 1.00 0.00 C ATOM 1388 O GLU A 87 6.265 -3.717 7.271 1.00 0.00 O ATOM 1389 CB GLU A 87 8.742 -2.168 5.436 1.00 0.00 C ATOM 1390 CG GLU A 87 9.212 -0.947 6.252 1.00 0.00 C ATOM 1391 CD GLU A 87 8.491 -0.718 7.585 1.00 0.00 C ATOM 1392 OE1 GLU A 87 7.244 -0.642 7.620 1.00 0.00 O ATOM 1393 OE2 GLU A 87 9.202 -0.692 8.616 1.00 0.00 O ATOM 0 H GLU A 87 9.818 -4.348 4.999 1.00 0.00 H new ATOM 0 HA GLU A 87 8.693 -3.221 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.518 -2.416 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.856 -1.882 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.278 -1.055 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.092 -0.055 5.637 1.00 0.00 H new ATOM 1400 N MET A 88 6.372 -4.158 5.073 1.00 0.00 N ATOM 1401 CA MET A 88 4.950 -4.471 4.974 1.00 0.00 C ATOM 1402 C MET A 88 4.564 -5.603 5.935 1.00 0.00 C ATOM 1403 O MET A 88 3.493 -5.545 6.527 1.00 0.00 O ATOM 1404 CB MET A 88 4.595 -4.784 3.520 1.00 0.00 C ATOM 1405 CG MET A 88 4.390 -3.488 2.744 1.00 0.00 C ATOM 1406 SD MET A 88 2.772 -2.750 3.119 1.00 0.00 S ATOM 1407 CE MET A 88 3.328 -1.063 3.357 1.00 0.00 C ATOM 0 H MET A 88 6.889 -4.257 4.199 1.00 0.00 H new ATOM 0 HA MET A 88 4.365 -3.603 5.280 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.391 -5.371 3.061 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.689 -5.389 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.182 -2.782 2.994 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.464 -3.685 1.675 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.510 -0.463 3.755 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.162 -1.050 4.059 1.00 0.00 H new ATOM 0 HE3 MET A 88 3.651 -0.648 2.402 1.00 0.00 H new ATOM 1417 N GLN A 89 5.435 -6.591 6.165 1.00 0.00 N ATOM 1418 CA GLN A 89 5.205 -7.648 7.155 1.00 0.00 C ATOM 1419 C GLN A 89 5.134 -7.095 8.582 1.00 0.00 C ATOM 1420 O GLN A 89 4.290 -7.550 9.363 1.00 0.00 O ATOM 1421 CB GLN A 89 6.266 -8.755 7.074 1.00 0.00 C ATOM 1422 CG GLN A 89 6.225 -9.494 5.741 1.00 0.00 C ATOM 1423 CD GLN A 89 7.124 -10.726 5.735 1.00 0.00 C ATOM 1424 OE1 GLN A 89 7.040 -11.586 6.610 1.00 0.00 O ATOM 1425 NE2 GLN A 89 8.031 -10.836 4.784 1.00 0.00 N ATOM 0 H GLN A 89 6.322 -6.680 5.669 1.00 0.00 H new ATOM 0 HA GLN A 89 4.237 -8.084 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.255 -8.319 7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.111 -9.465 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.199 -9.794 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.533 -8.818 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.099 -10.122 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.664 -11.635 4.773 1.00 0.00 H new ATOM 1434 N ARG A 90 5.979 -6.118 8.946 1.00 0.00 N ATOM 1435 CA ARG A 90 5.975 -5.537 10.299 1.00 0.00 C ATOM 1436 C ARG A 90 4.608 -4.958 10.625 1.00 0.00 C ATOM 1437 O ARG A 90 4.111 -5.127 11.738 1.00 0.00 O ATOM 1438 CB ARG A 90 7.005 -4.409 10.501 1.00 0.00 C ATOM 1439 CG ARG A 90 8.426 -4.693 10.008 1.00 0.00 C ATOM 1440 CD ARG A 90 9.494 -3.930 10.795 1.00 0.00 C ATOM 1441 NE ARG A 90 9.264 -2.483 10.721 1.00 0.00 N ATOM 1442 CZ ARG A 90 9.243 -1.578 11.699 1.00 0.00 C ATOM 1443 NH1 ARG A 90 9.466 -1.908 12.967 1.00 0.00 N ATOM 1444 NH2 ARG A 90 8.995 -0.323 11.360 1.00 0.00 N ATOM 0 H ARG A 90 6.676 -5.712 8.321 1.00 0.00 H new ATOM 0 HA ARG A 90 6.238 -6.364 10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.639 -3.516 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.052 -4.175 11.565 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.623 -5.763 10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.499 -4.426 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.483 -4.251 11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.482 -4.166 10.399 1.00 0.00 H new ATOM 0 HE ARG A 90 9.096 -2.116 9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.660 -2.878 13.215 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.443 -1.191 13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.830 -0.082 10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.969 0.403 12.076 1.00 0.00 H new ATOM 1458 N ASN A 91 4.007 -4.278 9.652 1.00 0.00 N ATOM 1459 CA ASN A 91 2.810 -3.470 9.843 1.00 0.00 C ATOM 1460 C ASN A 91 1.638 -4.077 9.053 1.00 0.00 C ATOM 1461 O ASN A 91 0.708 -3.384 8.649 1.00 0.00 O ATOM 1462 CB ASN A 91 3.147 -1.991 9.555 1.00 0.00 C ATOM 1463 CG ASN A 91 4.302 -1.474 10.419 1.00 0.00 C ATOM 1464 OD1 ASN A 91 4.263 -1.580 11.639 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.381 -0.935 9.871 1.00 0.00 N ATOM 0 H ASN A 91 4.347 -4.274 8.690 1.00 0.00 H new ATOM 0 HA ASN A 91 2.464 -3.481 10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.407 -1.879 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.263 -1.379 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.151 -0.621 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.442 -0.834 8.858 1.00 0.00 H new ATOM 1472 N SER A 92 1.679 -5.395 8.817 1.00 0.00 N ATOM 1473 CA SER A 92 0.747 -6.131 7.958 1.00 0.00 C ATOM 1474 C SER A 92 -0.683 -6.167 8.503 1.00 0.00 C ATOM 1475 O SER A 92 -1.629 -6.397 7.741 1.00 0.00 O ATOM 1476 CB SER A 92 1.279 -7.554 7.735 1.00 0.00 C ATOM 1477 OG SER A 92 1.659 -8.165 8.962 1.00 0.00 O ATOM 0 H SER A 92 2.388 -5.998 9.235 1.00 0.00 H new ATOM 0 HA SER A 92 0.690 -5.597 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.513 -8.158 7.248 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.136 -7.522 7.062 1.00 0.00 H new ATOM 0 HG SER A 92 2.630 -8.094 9.076 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.869 -5.945 9.809 1.00 0.00 N ATOM 1484 CA VAL A 93 -2.197 -5.977 10.404 1.00 0.00 C ATOM 1485 C VAL A 93 -3.071 -4.861 9.849 1.00 0.00 C ATOM 1486 O VAL A 93 -4.284 -5.039 9.781 1.00 0.00 O ATOM 1487 CB VAL A 93 -2.129 -5.931 11.942 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.500 -4.650 12.507 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -3.491 -6.174 12.602 1.00 0.00 C ATOM 0 H VAL A 93 -0.116 -5.743 10.467 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.659 -6.926 10.132 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.462 -6.755 12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.491 -4.699 13.596 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.478 -4.554 12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.084 -3.787 12.187 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.383 -6.130 13.686 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.195 -5.408 12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.865 -7.157 12.314 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.475 -3.746 9.413 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.244 -2.603 8.963 1.00 0.00 C ATOM 1501 C ALA A 94 -4.173 -3.000 7.811 1.00 0.00 C ATOM 1502 O ALA A 94 -5.320 -2.557 7.742 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.286 -1.481 8.535 1.00 0.00 C ATOM 0 H ALA A 94 -1.464 -3.620 9.366 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.867 -2.242 9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.862 -0.620 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.664 -1.191 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.651 -1.835 7.723 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.664 -3.864 6.932 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.359 -4.469 5.814 1.00 0.00 C ATOM 1511 C VAL A 95 -5.256 -5.617 6.317 1.00 0.00 C ATOM 1512 O VAL A 95 -6.430 -5.656 5.959 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.277 -4.958 4.831 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.873 -5.714 3.643 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.429 -3.785 4.313 1.00 0.00 C ATOM 0 H VAL A 95 -2.694 -4.174 6.993 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.017 -3.762 5.309 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.643 -5.646 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.072 -6.038 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.420 -6.585 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.553 -5.058 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.674 -4.159 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.072 -3.071 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.939 -3.291 5.152 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.744 -6.554 7.133 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.508 -7.723 7.621 1.00 0.00 C ATOM 1527 C ARG A 96 -6.785 -7.310 8.354 1.00 0.00 C ATOM 1528 O ARG A 96 -7.824 -7.964 8.235 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.636 -8.575 8.557 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.650 -9.449 7.787 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.467 -10.016 8.590 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.807 -10.499 9.939 1.00 0.00 N ATOM 1533 CZ ARG A 96 -3.370 -11.663 10.283 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -3.871 -12.509 9.393 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -3.423 -11.974 11.569 1.00 0.00 N ATOM 0 H ARG A 96 -3.784 -6.525 7.476 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.795 -8.307 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.087 -7.921 9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.276 -9.207 9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.200 -10.284 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.251 -8.865 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.025 -10.838 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.703 -9.243 8.679 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.585 -9.867 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.836 -12.283 8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.291 -13.386 9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.041 -11.333 12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.846 -12.854 11.864 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.741 -6.201 9.089 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.891 -5.619 9.770 1.00 0.00 C ATOM 1551 C ASN A 97 -9.033 -5.315 8.790 1.00 0.00 C ATOM 1552 O ASN A 97 -10.204 -5.380 9.162 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.438 -4.340 10.488 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.628 -3.575 11.058 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.015 -2.538 10.531 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -9.251 -4.063 12.115 1.00 0.00 N ATOM 0 H ASN A 97 -5.882 -5.670 9.230 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.277 -6.336 10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.748 -4.596 11.292 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.893 -3.703 9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.061 -3.577 12.499 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.922 -4.926 12.547 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.719 -4.981 7.538 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.709 -4.596 6.541 1.00 0.00 C ATOM 1565 C LEU A 98 -10.404 -5.783 5.889 1.00 0.00 C ATOM 1566 O LEU A 98 -11.401 -5.554 5.203 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.062 -3.734 5.451 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.526 -2.386 5.954 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -7.717 -1.753 4.837 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -9.646 -1.442 6.388 1.00 0.00 C ATOM 0 H LEU A 98 -7.761 -4.971 7.188 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.469 -4.028 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.242 -4.293 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.795 -3.551 4.665 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.907 -2.563 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.325 -0.792 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.889 -2.410 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.355 -1.602 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.216 -0.503 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.306 -1.248 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.216 -1.901 7.196 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.966 -7.026 6.129 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.631 -8.220 5.595 1.00 0.00 C ATOM 1584 C PHE A 99 -12.115 -8.232 5.997 1.00 0.00 C ATOM 1585 O PHE A 99 -12.958 -8.795 5.295 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.980 -9.496 6.146 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.644 -9.924 5.565 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.724 -9.006 5.015 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.313 -11.292 5.607 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.496 -9.461 4.513 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.085 -11.743 5.105 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.185 -10.829 4.546 1.00 0.00 C ATOM 0 H PHE A 99 -9.144 -7.231 6.697 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.534 -8.192 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.851 -9.367 7.221 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.683 -10.317 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.965 -7.954 4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.011 -11.999 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.788 -8.757 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.834 -12.792 5.149 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.248 -11.178 4.138 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.431 -7.599 7.131 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.759 -7.504 7.715 1.00 0.00 C ATOM 1604 C HIS A 100 -14.145 -6.040 7.961 1.00 0.00 C ATOM 1605 O HIS A 100 -14.864 -5.708 8.912 1.00 0.00 O ATOM 1606 CB HIS A 100 -13.803 -8.374 8.972 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.511 -9.823 8.685 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -14.416 -10.744 8.214 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.299 -10.446 8.796 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -13.769 -11.910 8.067 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.463 -11.769 8.363 1.00 0.00 N ATOM 0 H HIS A 100 -11.727 -7.117 7.690 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.512 -7.885 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.079 -7.998 9.695 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -14.787 -8.290 9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.382 -10.000 9.152 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -14.232 -12.834 7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.738 -12.482 8.287 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.648 -5.133 7.114 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.192 -3.790 7.010 1.00 0.00 C ATOM 1621 C TYR A 101 -15.598 -3.870 6.416 1.00 0.00 C ATOM 1622 O TYR A 101 -15.876 -4.728 5.569 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.261 -2.928 6.160 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.820 -1.555 5.867 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -14.197 -0.692 6.912 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.025 -1.168 4.537 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.783 0.553 6.635 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.562 0.092 4.251 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.969 0.951 5.294 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.516 2.158 5.007 1.00 0.00 O ATOM 0 H TYR A 101 -12.863 -5.314 6.489 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.264 -3.326 7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.306 -2.822 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.062 -3.440 5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -14.034 -0.990 7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.769 -1.842 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -15.089 1.202 7.442 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.666 0.410 3.224 1.00 0.00 H new ATOM 0 HH TYR A 101 -16.067 2.084 4.200 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.489 -2.987 6.863 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.869 -2.899 6.395 1.00 0.00 C ATOM 1642 C LYS A 102 -18.321 -1.451 6.281 1.00 0.00 C ATOM 1643 O LYS A 102 -18.917 -1.104 5.262 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.816 -3.731 7.274 1.00 0.00 C ATOM 1645 CG LYS A 102 -18.527 -3.678 8.783 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.700 -4.212 9.609 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.249 -4.375 11.066 1.00 0.00 C ATOM 1648 NZ LYS A 102 -20.336 -4.072 12.015 1.00 0.00 N ATOM 0 H LYS A 102 -16.265 -2.296 7.579 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.908 -3.328 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.837 -3.389 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.769 -4.770 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.633 -4.262 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.315 -2.650 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.545 -3.526 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.038 -5.168 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.901 -5.395 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.403 -3.716 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.991 -4.194 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.651 -3.090 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.134 -4.718 11.847 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.982 -0.611 7.262 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.275 0.814 7.251 1.00 0.00 C ATOM 1664 C GLY A 103 -19.759 1.113 7.052 1.00 0.00 C ATOM 1665 O GLY A 103 -20.620 0.246 7.226 1.00 0.00 O ATOM 0 H GLY A 103 -17.486 -0.914 8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.943 1.255 8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.703 1.291 6.455 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.061 2.367 6.726 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.386 2.771 6.269 1.00 0.00 C ATOM 1671 C HIS A 104 -21.499 2.551 4.755 1.00 0.00 C ATOM 1672 O HIS A 104 -20.477 2.519 4.064 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.621 4.247 6.631 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.989 4.436 8.078 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -23.137 5.036 8.542 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -21.303 3.962 9.162 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -23.164 4.908 9.877 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -22.056 4.276 10.298 1.00 0.00 N ATOM 0 H HIS A 104 -19.390 3.134 6.772 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.149 2.167 6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.720 4.819 6.411 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.415 4.650 6.002 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.356 3.442 9.144 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.958 5.261 10.518 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.810 4.065 11.265 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.722 2.446 4.206 1.00 0.00 N ATOM 1687 CA PRO A 105 -22.921 2.499 2.766 1.00 0.00 C ATOM 1688 C PRO A 105 -22.576 3.900 2.240 1.00 0.00 C ATOM 1689 O PRO A 105 -22.397 4.855 3.004 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.393 2.137 2.549 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.066 2.671 3.814 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.005 2.461 4.897 1.00 0.00 C ATOM 0 HA PRO A 105 -22.275 1.810 2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -24.795 2.603 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -24.533 1.061 2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.334 3.723 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -25.984 2.128 4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.040 3.260 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.172 1.525 5.430 1.00 0.00 H new ATOM 1700 N ASP A 106 -22.527 4.043 0.924 1.00 0.00 N ATOM 1701 CA ASP A 106 -22.123 5.246 0.200 1.00 0.00 C ATOM 1702 C ASP A 106 -23.332 5.853 -0.523 1.00 0.00 C ATOM 1703 O ASP A 106 -24.299 5.124 -0.767 1.00 0.00 O ATOM 1704 CB ASP A 106 -21.025 4.864 -0.807 1.00 0.00 C ATOM 1705 CG ASP A 106 -19.662 5.457 -0.461 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -19.236 5.382 0.718 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -19.019 6.011 -1.376 1.00 0.00 O ATOM 0 H ASP A 106 -22.782 3.282 0.295 1.00 0.00 H new ATOM 0 HA ASP A 106 -21.736 5.991 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.942 3.778 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.319 5.201 -1.801 1.00 0.00 H new ATOM 1712 N PRO A 107 -23.302 7.144 -0.914 1.00 0.00 N ATOM 1713 CA PRO A 107 -24.465 7.855 -1.452 1.00 0.00 C ATOM 1714 C PRO A 107 -25.003 7.299 -2.764 1.00 0.00 C ATOM 1715 O PRO A 107 -26.200 7.435 -3.040 1.00 0.00 O ATOM 1716 CB PRO A 107 -24.033 9.312 -1.631 1.00 0.00 C ATOM 1717 CG PRO A 107 -22.510 9.257 -1.622 1.00 0.00 C ATOM 1718 CD PRO A 107 -22.218 8.088 -0.688 1.00 0.00 C ATOM 0 HA PRO A 107 -25.292 7.738 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -24.411 9.727 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -24.413 9.941 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -22.106 9.088 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -22.074 10.186 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -21.250 7.638 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -22.188 8.412 0.352 1.00 0.00 H new ATOM 1726 N LEU A 108 -24.146 6.678 -3.571 1.00 0.00 N ATOM 1727 CA LEU A 108 -24.514 6.049 -4.833 1.00 0.00 C ATOM 1728 C LEU A 108 -23.875 4.682 -4.993 1.00 0.00 C ATOM 1729 O LEU A 108 -24.411 3.827 -5.699 1.00 0.00 O ATOM 1730 CB LEU A 108 -24.083 6.903 -6.031 1.00 0.00 C ATOM 1731 CG LEU A 108 -22.658 7.476 -5.991 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -21.952 7.215 -7.322 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -22.675 8.976 -5.692 1.00 0.00 C ATOM 0 H LEU A 108 -23.152 6.597 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.599 5.949 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.182 6.299 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.782 7.734 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.113 6.977 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.943 7.625 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.902 6.141 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.508 7.693 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -21.653 9.354 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.237 9.495 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -23.147 9.149 -4.725 1.00 0.00 H new ATOM 1745 N LYS A 109 -22.713 4.459 -4.381 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.006 3.200 -4.535 1.00 0.00 C ATOM 1747 C LYS A 109 -22.571 2.140 -3.598 1.00 0.00 C ATOM 1748 O LYS A 109 -22.194 0.974 -3.742 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.505 3.439 -4.349 1.00 0.00 C ATOM 1750 CG LYS A 109 -19.955 4.395 -5.426 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.977 3.879 -6.870 1.00 0.00 C ATOM 1752 CE LYS A 109 -19.331 2.498 -6.997 1.00 0.00 C ATOM 1753 NZ LYS A 109 -19.297 2.042 -8.395 1.00 0.00 N ATOM 0 H LYS A 109 -22.247 5.135 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.152 2.809 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.321 3.857 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -19.974 2.488 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -20.528 5.321 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -18.926 4.645 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -21.008 3.830 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.453 4.585 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.316 2.533 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -19.885 1.780 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.853 1.103 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -20.267 1.985 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.747 2.715 -8.966 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.481 2.506 -2.688 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.039 1.621 -1.689 1.00 0.00 C ATOM 1769 C GLY A 110 -22.895 0.951 -0.945 1.00 0.00 C ATOM 1770 O GLY A 110 -22.097 1.618 -0.303 1.00 0.00 O ATOM 0 H GLY A 110 -23.852 3.455 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -24.666 2.181 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.675 0.871 -2.160 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.761 -0.359 -1.066 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.758 -1.120 -0.327 1.00 0.00 C ATOM 1776 C ASP A 111 -20.513 -1.427 -1.178 1.00 0.00 C ATOM 1777 O ASP A 111 -19.615 -2.135 -0.722 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.417 -2.390 0.229 1.00 0.00 C ATOM 1779 CG ASP A 111 -23.352 -2.096 1.403 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -24.550 -1.809 1.175 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -22.909 -2.224 2.569 1.00 0.00 O ATOM 0 H ASP A 111 -23.344 -0.929 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.392 -0.517 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -22.979 -2.882 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.643 -3.087 0.550 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.442 -0.955 -2.431 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.440 -1.443 -3.378 1.00 0.00 C ATOM 1788 C ALA A 112 -18.029 -1.038 -2.963 1.00 0.00 C ATOM 1789 O ALA A 112 -17.094 -1.837 -3.086 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.747 -0.902 -4.778 1.00 0.00 C ATOM 0 H ALA A 112 -21.065 -0.240 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.485 -2.532 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.999 -1.267 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.735 -1.241 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.726 0.188 -4.760 1.00 0.00 H new ATOM 1796 N LEU A 113 -17.881 0.199 -2.479 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.598 0.756 -2.077 1.00 0.00 C ATOM 1798 C LEU A 113 -15.986 -0.076 -0.951 1.00 0.00 C ATOM 1799 O LEU A 113 -14.803 -0.409 -0.988 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.741 2.238 -1.695 1.00 0.00 C ATOM 1801 CG LEU A 113 -15.806 3.135 -2.526 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -14.313 2.832 -2.337 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -16.184 3.170 -4.012 1.00 0.00 C ATOM 0 H LEU A 113 -18.661 0.844 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.913 0.712 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.774 2.554 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.518 2.363 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.963 4.135 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.723 3.507 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.043 2.972 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.111 1.802 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -15.491 3.818 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -16.132 2.162 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.198 3.555 -4.121 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.788 -0.425 0.058 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.284 -1.146 1.223 1.00 0.00 C ATOM 1817 C ASN A 114 -15.980 -2.601 0.873 1.00 0.00 C ATOM 1818 O ASN A 114 -14.941 -3.108 1.296 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.248 -1.073 2.413 1.00 0.00 C ATOM 1820 CG ASN A 114 -17.778 0.334 2.684 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -17.017 1.265 2.933 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -19.079 0.527 2.592 1.00 0.00 N ATOM 0 H ASN A 114 -17.787 -0.219 0.089 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.358 -0.655 1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -18.090 -1.740 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.740 -1.439 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.467 1.460 2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -19.697 -0.257 2.384 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.812 -3.252 0.044 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.515 -4.601 -0.447 1.00 0.00 C ATOM 1831 C LYS A 115 -15.157 -4.599 -1.146 1.00 0.00 C ATOM 1832 O LYS A 115 -14.337 -5.483 -0.912 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.604 -5.092 -1.414 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.501 -6.609 -1.671 1.00 0.00 C ATOM 1835 CD LYS A 115 -17.994 -7.042 -3.062 1.00 0.00 C ATOM 1836 CE LYS A 115 -16.986 -6.643 -4.152 1.00 0.00 C ATOM 1837 NZ LYS A 115 -17.248 -7.315 -5.443 1.00 0.00 N ATOM 0 H LYS A 115 -17.692 -2.865 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.490 -5.282 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.586 -4.859 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.519 -4.557 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.462 -6.918 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.079 -7.136 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.145 -8.121 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.960 -6.582 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.020 -5.563 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.978 -6.888 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.541 -7.011 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.189 -8.346 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.199 -7.061 -5.780 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.917 -3.603 -2.001 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.676 -3.509 -2.747 1.00 0.00 C ATOM 1853 C ALA A 116 -12.464 -3.391 -1.821 1.00 0.00 C ATOM 1854 O ALA A 116 -11.425 -3.974 -2.131 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.728 -2.322 -3.701 1.00 0.00 C ATOM 0 H ALA A 116 -15.576 -2.848 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.563 -4.429 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.792 -2.260 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.556 -2.452 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.874 -1.404 -3.132 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.576 -2.651 -0.710 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.548 -2.613 0.329 1.00 0.00 C ATOM 1863 C VAL A 117 -11.292 -4.041 0.825 1.00 0.00 C ATOM 1864 O VAL A 117 -10.150 -4.499 0.775 1.00 0.00 O ATOM 1865 CB VAL A 117 -11.925 -1.630 1.455 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -10.980 -1.713 2.659 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -11.894 -0.189 0.954 1.00 0.00 C ATOM 0 H VAL A 117 -13.385 -2.062 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.614 -2.230 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.929 -1.918 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.295 -0.998 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.008 -2.720 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.964 -1.480 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.164 0.485 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.891 0.052 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.605 -0.073 0.136 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.335 -4.735 1.295 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.225 -6.054 1.913 1.00 0.00 C ATOM 1879 C ARG A 118 -11.453 -7.031 1.017 1.00 0.00 C ATOM 1880 O ARG A 118 -10.494 -7.647 1.473 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.624 -6.527 2.390 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.255 -7.697 1.621 1.00 0.00 C ATOM 1883 CD ARG A 118 -15.645 -8.048 2.147 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.235 -9.172 1.397 1.00 0.00 N ATOM 1885 CZ ARG A 118 -17.236 -9.941 1.840 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -17.823 -9.678 2.997 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -17.662 -10.971 1.129 1.00 0.00 N ATOM 0 H ARG A 118 -13.293 -4.387 1.254 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.615 -6.004 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.548 -6.811 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.306 -5.678 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.322 -7.441 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -13.608 -8.571 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -15.581 -8.307 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.295 -7.177 2.071 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.852 -9.378 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -17.513 -8.884 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -18.586 -10.269 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -17.227 -11.187 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -18.426 -11.550 1.477 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.839 -7.150 -0.254 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.284 -8.134 -1.185 1.00 0.00 C ATOM 1903 C GLU A 119 -9.832 -7.801 -1.524 1.00 0.00 C ATOM 1904 O GLU A 119 -8.949 -8.656 -1.528 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.060 -8.088 -2.505 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.567 -8.351 -2.421 1.00 0.00 C ATOM 1907 CD GLU A 119 -13.915 -9.779 -2.810 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -13.572 -10.187 -3.940 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -14.550 -10.453 -1.968 1.00 0.00 O ATOM 0 H GLU A 119 -12.556 -6.557 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.353 -9.112 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.909 -7.107 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.623 -8.821 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.914 -8.156 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.094 -7.657 -3.076 1.00 0.00 H new ATOM 1916 N THR A 120 -9.586 -6.540 -1.875 1.00 0.00 N ATOM 1917 CA THR A 120 -8.290 -6.094 -2.363 1.00 0.00 C ATOM 1918 C THR A 120 -7.247 -6.201 -1.231 1.00 0.00 C ATOM 1919 O THR A 120 -6.046 -6.322 -1.495 1.00 0.00 O ATOM 1920 CB THR A 120 -8.477 -4.683 -2.935 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.537 -4.654 -3.871 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.250 -4.110 -3.636 1.00 0.00 C ATOM 0 H THR A 120 -10.285 -5.799 -1.827 1.00 0.00 H new ATOM 0 HA THR A 120 -7.902 -6.721 -3.166 1.00 0.00 H new ATOM 0 HB THR A 120 -8.684 -4.070 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.317 -4.218 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.477 -3.111 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.420 -4.056 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.975 -4.754 -4.471 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.687 -6.203 0.035 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.805 -6.396 1.167 1.00 0.00 C ATOM 1932 C ALA A 121 -6.287 -7.836 1.238 1.00 0.00 C ATOM 1933 O ALA A 121 -5.094 -8.009 1.479 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.517 -5.992 2.464 1.00 0.00 C ATOM 0 H ALA A 121 -8.666 -6.070 0.290 1.00 0.00 H new ATOM 0 HA ALA A 121 -5.935 -5.753 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.845 -6.141 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.804 -4.942 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.408 -6.606 2.596 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.137 -8.841 0.985 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.718 -10.243 0.885 1.00 0.00 C ATOM 1942 C HIS A 122 -5.581 -10.363 -0.129 1.00 0.00 C ATOM 1943 O HIS A 122 -4.498 -10.849 0.188 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.893 -11.139 0.462 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.859 -11.482 1.564 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -8.731 -12.530 2.442 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -10.085 -10.915 1.772 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -9.858 -12.594 3.166 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.733 -11.642 2.778 1.00 0.00 N ATOM 0 H HIS A 122 -8.138 -8.702 0.844 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.374 -10.574 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.440 -10.641 -0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.494 -12.065 0.048 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -10.484 -10.057 1.252 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.041 -13.310 3.953 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.673 -11.485 3.143 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.808 -9.830 -1.333 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.832 -9.864 -2.418 1.00 0.00 C ATOM 1959 C GLU A 123 -3.536 -9.139 -2.083 1.00 0.00 C ATOM 1960 O GLU A 123 -2.523 -9.366 -2.748 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.434 -9.218 -3.674 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.282 -10.186 -4.491 1.00 0.00 C ATOM 1963 CD GLU A 123 -5.499 -11.441 -4.870 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.460 -11.298 -5.555 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -5.885 -12.546 -4.415 1.00 0.00 O ATOM 0 H GLU A 123 -6.679 -9.361 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.593 -10.914 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.046 -8.366 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.629 -8.832 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -7.166 -10.468 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.633 -9.689 -5.395 1.00 0.00 H new ATOM 1972 N THR A 124 -3.559 -8.247 -1.095 1.00 0.00 N ATOM 1973 CA THR A 124 -2.345 -7.633 -0.627 1.00 0.00 C ATOM 1974 C THR A 124 -1.563 -8.575 0.274 1.00 0.00 C ATOM 1975 O THR A 124 -0.347 -8.632 0.124 1.00 0.00 O ATOM 1976 CB THR A 124 -2.636 -6.319 0.076 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.363 -5.440 -0.761 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.294 -5.700 0.479 1.00 0.00 C ATOM 0 H THR A 124 -4.405 -7.943 -0.614 1.00 0.00 H new ATOM 0 HA THR A 124 -1.725 -7.417 -1.497 1.00 0.00 H new ATOM 0 HB THR A 124 -3.253 -6.497 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.256 -5.808 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.469 -4.752 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 124 -0.766 -6.379 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.691 -5.528 -0.412 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.201 -9.265 1.218 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.478 -10.147 2.130 1.00 0.00 C ATOM 1988 C ILE A 125 -0.747 -11.224 1.328 1.00 0.00 C ATOM 1989 O ILE A 125 0.429 -11.477 1.597 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.421 -10.694 3.220 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -3.027 -9.554 4.066 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.691 -11.675 4.138 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -2.046 -8.516 4.611 1.00 0.00 C ATOM 0 H ILE A 125 -3.209 -9.231 1.370 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.711 -9.591 2.669 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.228 -11.218 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.770 -9.036 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.557 -9.998 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.380 -12.045 4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.315 -12.513 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.856 -11.168 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.591 -7.768 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.315 -9.008 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.532 -8.031 3.782 1.00 0.00 H new ATOM 2005 N SER A 126 -1.370 -11.719 0.259 1.00 0.00 N ATOM 2006 CA SER A 126 -0.703 -12.577 -0.710 1.00 0.00 C ATOM 2007 C SER A 126 0.644 -12.007 -1.199 1.00 0.00 C ATOM 2008 O SER A 126 1.595 -12.770 -1.355 1.00 0.00 O ATOM 2009 CB SER A 126 -1.653 -12.835 -1.886 1.00 0.00 C ATOM 2010 OG SER A 126 -2.846 -13.448 -1.432 1.00 0.00 O ATOM 0 H SER A 126 -2.350 -11.535 0.044 1.00 0.00 H new ATOM 0 HA SER A 126 -0.461 -13.516 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.887 -11.895 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.165 -13.474 -2.622 1.00 0.00 H new ATOM 0 HG SER A 126 -3.443 -13.605 -2.193 1.00 0.00 H new ATOM 2016 N ALA A 127 0.749 -10.700 -1.455 1.00 0.00 N ATOM 2017 CA ALA A 127 1.997 -10.032 -1.821 1.00 0.00 C ATOM 2018 C ALA A 127 2.912 -9.845 -0.603 1.00 0.00 C ATOM 2019 O ALA A 127 4.096 -10.147 -0.712 1.00 0.00 O ATOM 2020 CB ALA A 127 1.678 -8.700 -2.482 1.00 0.00 C ATOM 0 H ALA A 127 -0.049 -10.066 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 127 2.539 -10.660 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.606 -8.199 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.080 -8.872 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.119 -8.074 -1.787 1.00 0.00 H new ATOM 2026 N ILE A 128 2.397 -9.352 0.538 1.00 0.00 N ATOM 2027 CA ILE A 128 3.170 -9.116 1.770 1.00 0.00 C ATOM 2028 C ILE A 128 3.988 -10.364 2.136 1.00 0.00 C ATOM 2029 O ILE A 128 5.130 -10.232 2.576 1.00 0.00 O ATOM 2030 CB ILE A 128 2.256 -8.647 2.932 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.630 -7.270 2.607 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.040 -8.583 4.252 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.926 -6.573 3.783 1.00 0.00 C ATOM 0 H ILE A 128 1.413 -9.102 0.631 1.00 0.00 H new ATOM 0 HA ILE A 128 3.874 -8.304 1.587 1.00 0.00 H new ATOM 0 HB ILE A 128 1.453 -9.375 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.415 -6.612 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.910 -7.399 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.378 -8.252 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.432 -9.572 4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.867 -7.880 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.522 -5.617 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.114 -7.203 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.642 -6.404 4.587 1.00 0.00 H new ATOM 2045 N PHE A 129 3.433 -11.558 1.923 1.00 0.00 N ATOM 2046 CA PHE A 129 4.056 -12.834 2.241 1.00 0.00 C ATOM 2047 C PHE A 129 4.294 -13.657 0.967 1.00 0.00 C ATOM 2048 O PHE A 129 4.235 -14.887 1.008 1.00 0.00 O ATOM 2049 CB PHE A 129 3.195 -13.548 3.292 1.00 0.00 C ATOM 2050 CG PHE A 129 3.010 -12.746 4.570 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.043 -12.666 5.521 1.00 0.00 C ATOM 2052 CD2 PHE A 129 1.807 -12.056 4.797 1.00 0.00 C ATOM 2053 CE1 PHE A 129 3.858 -11.920 6.698 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.625 -11.303 5.972 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.653 -11.235 6.924 1.00 0.00 C ATOM 0 H PHE A 129 2.506 -11.662 1.510 1.00 0.00 H new ATOM 0 HA PHE A 129 5.046 -12.686 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.217 -13.764 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.654 -14.506 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.978 -13.178 5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.016 -12.104 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.648 -11.873 7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.696 -10.779 6.140 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.518 -10.658 7.827 1.00 0.00 H new ATOM 2065 N SER A 130 4.533 -12.995 -0.170 1.00 0.00 N ATOM 2066 CA SER A 130 4.907 -13.638 -1.423 1.00 0.00 C ATOM 2067 C SER A 130 6.288 -14.295 -1.300 1.00 0.00 C ATOM 2068 O SER A 130 6.994 -14.133 -0.302 1.00 0.00 O ATOM 2069 CB SER A 130 4.863 -12.601 -2.551 1.00 0.00 C ATOM 2070 OG SER A 130 4.855 -13.208 -3.832 1.00 0.00 O ATOM 0 H SER A 130 4.469 -11.979 -0.241 1.00 0.00 H new ATOM 0 HA SER A 130 4.199 -14.432 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.974 -11.981 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.725 -11.940 -2.469 1.00 0.00 H new ATOM 0 HG SER A 130 4.825 -12.514 -4.523 1.00 0.00 H new