USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 886 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 127 HIS : no HD1:sc= -1.85! X(o=-1.6!,f=-2.1) USER MOD Set 1.2: A 129 TYR OH : rot 76:sc= 0.219 USER MOD Set 2.1: A 26 THR OG1 : rot -81:sc= 1.68 USER MOD Set 2.2: A 76 THR OG1 : rot -44:sc= 1.09 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 11 SER OG : rot 102:sc= -4.15! USER MOD Single : A 13 LYS NZ :NH3+ -178:sc=-0.00457 (180deg=-0.00694) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.0031) USER MOD Single : A 31 LYS NZ :NH3+ -105:sc= 0.126 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.879 K(o=-0.88,f=-4.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0301 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 126:sc= 0.632 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.983 (180deg=-1.65!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.918 K(o=-0.92,f=-1.6) USER MOD Single : A 75 GLN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.19) USER MOD Single : A 91 MET CE :methyl -170:sc= -10.1! (180deg=-10.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 99 GLN : amide:sc=-0.000878 X(o=-0.00088,f=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.357 -12.661 -1.137 1.00 0.00 N ATOM 67 CA GLY A 8 0.243 -13.157 -0.347 1.00 0.00 C ATOM 68 C GLY A 8 -0.968 -12.229 -0.464 1.00 0.00 C ATOM 69 O GLY A 8 -1.520 -12.057 -1.550 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.028 -14.158 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.542 -13.241 0.698 1.00 0.00 H new ATOM 73 N GLN A 9 -1.345 -11.656 0.669 1.00 0.00 N ATOM 74 CA GLN A 9 -2.481 -10.750 0.707 1.00 0.00 C ATOM 75 C GLN A 9 -2.202 -9.590 1.665 1.00 0.00 C ATOM 76 O GLN A 9 -1.447 -9.740 2.624 1.00 0.00 O ATOM 77 CB GLN A 9 -3.760 -11.491 1.100 1.00 0.00 C ATOM 78 CG GLN A 9 -4.039 -12.650 0.142 1.00 0.00 C ATOM 79 CD GLN A 9 -5.093 -13.597 0.719 1.00 0.00 C ATOM 80 OE1 GLN A 9 -5.986 -13.202 1.451 1.00 0.00 O ATOM 81 NE2 GLN A 9 -4.941 -14.866 0.349 1.00 0.00 N ATOM 0 H GLN A 9 -0.885 -11.801 1.568 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.630 -10.342 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.667 -11.870 2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.602 -10.799 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.381 -12.260 -0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.117 -13.199 -0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.171 -15.129 -0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.594 -15.576 0.681 1.00 0.00 H new ATOM 90 N LEU A 10 -2.828 -8.459 1.373 1.00 0.00 N ATOM 91 CA LEU A 10 -2.657 -7.274 2.196 1.00 0.00 C ATOM 92 C LEU A 10 -4.029 -6.677 2.514 1.00 0.00 C ATOM 93 O LEU A 10 -4.900 -6.617 1.648 1.00 0.00 O ATOM 94 CB LEU A 10 -1.698 -6.289 1.525 1.00 0.00 C ATOM 95 CG LEU A 10 -1.428 -4.991 2.288 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.491 -5.235 3.472 1.00 0.00 C ATOM 97 CD2 LEU A 10 -0.896 -3.905 1.351 1.00 0.00 C ATOM 0 H LEU A 10 -3.455 -8.338 0.577 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.194 -7.535 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.747 -6.794 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.098 -6.034 0.544 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.373 -4.631 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.316 -4.296 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.946 -5.953 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.458 -5.631 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.712 -2.993 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.035 -4.242 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.631 -3.705 0.571 1.00 0.00 H new ATOM 109 N SER A 11 -4.179 -6.251 3.760 1.00 0.00 N ATOM 110 CA SER A 11 -5.431 -5.660 4.203 1.00 0.00 C ATOM 111 C SER A 11 -5.328 -4.134 4.174 1.00 0.00 C ATOM 112 O SER A 11 -4.543 -3.547 4.917 1.00 0.00 O ATOM 113 CB SER A 11 -5.800 -6.141 5.608 1.00 0.00 C ATOM 114 OG SER A 11 -6.031 -7.547 5.647 1.00 0.00 O ATOM 0 H SER A 11 -3.455 -6.303 4.476 1.00 0.00 H new ATOM 0 HA SER A 11 -6.220 -5.977 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.998 -5.886 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.693 -5.617 5.948 1.00 0.00 H new ATOM 0 HG SER A 11 -5.244 -7.998 6.019 1.00 0.00 H new ATOM 120 N ILE A 12 -6.134 -3.535 3.309 1.00 0.00 N ATOM 121 CA ILE A 12 -6.144 -2.088 3.174 1.00 0.00 C ATOM 122 C ILE A 12 -7.577 -1.576 3.329 1.00 0.00 C ATOM 123 O ILE A 12 -8.470 -1.987 2.591 1.00 0.00 O ATOM 124 CB ILE A 12 -5.479 -1.668 1.862 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.982 -1.987 1.879 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.748 -0.193 1.559 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.562 -2.715 0.601 1.00 0.00 C ATOM 0 H ILE A 12 -6.784 -4.025 2.695 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.553 -1.627 3.966 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.922 -2.249 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.411 -1.064 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.748 -2.604 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.264 0.080 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.822 -0.029 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.349 0.423 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.494 -2.930 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.117 -3.649 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.775 -2.086 -0.263 1.00 0.00 H new ATOM 139 N LYS A 13 -7.752 -0.685 4.294 1.00 0.00 N ATOM 140 CA LYS A 13 -9.061 -0.112 4.555 1.00 0.00 C ATOM 141 C LYS A 13 -9.141 1.277 3.920 1.00 0.00 C ATOM 142 O LYS A 13 -8.434 2.195 4.333 1.00 0.00 O ATOM 143 CB LYS A 13 -9.360 -0.120 6.056 1.00 0.00 C ATOM 144 CG LYS A 13 -10.782 -0.612 6.330 1.00 0.00 C ATOM 145 CD LYS A 13 -11.135 -0.475 7.812 1.00 0.00 C ATOM 146 CE LYS A 13 -9.963 -0.906 8.696 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.325 -0.795 10.127 1.00 0.00 N ATOM 0 H LYS A 13 -7.009 -0.346 4.905 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.841 -0.719 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.644 -0.762 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.235 0.884 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.490 -0.041 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.875 -1.655 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.401 0.559 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.010 -1.084 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.684 -1.934 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.093 -0.284 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.508 -1.059 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.602 0.184 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.120 -1.433 10.334 1.00 0.00 H new ATOM 161 N LEU A 14 -10.009 1.389 2.924 1.00 0.00 N ATOM 162 CA LEU A 14 -10.191 2.650 2.227 1.00 0.00 C ATOM 163 C LEU A 14 -11.483 3.313 2.709 1.00 0.00 C ATOM 164 O LEU A 14 -12.444 2.628 3.055 1.00 0.00 O ATOM 165 CB LEU A 14 -10.135 2.439 0.713 1.00 0.00 C ATOM 166 CG LEU A 14 -8.765 2.079 0.136 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.895 1.543 -1.291 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.806 3.268 0.216 1.00 0.00 C ATOM 0 H LEU A 14 -10.594 0.626 2.584 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.375 3.335 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.837 1.648 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.484 3.350 0.226 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.338 1.280 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.907 1.295 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.519 0.649 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.352 2.303 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.840 2.985 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.215 4.104 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.679 3.564 1.257 1.00 0.00 H new ATOM 180 N TRP A 15 -11.464 4.638 2.716 1.00 0.00 N ATOM 181 CA TRP A 15 -12.623 5.400 3.149 1.00 0.00 C ATOM 182 C TRP A 15 -12.510 6.807 2.560 1.00 0.00 C ATOM 183 O TRP A 15 -11.439 7.411 2.586 1.00 0.00 O ATOM 184 CB TRP A 15 -12.741 5.398 4.675 1.00 0.00 C ATOM 185 CG TRP A 15 -13.668 6.482 5.228 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.416 7.791 5.369 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.015 6.297 5.712 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.497 8.460 5.906 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.500 7.522 6.121 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.797 5.132 5.801 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -16.785 7.701 6.648 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.079 5.327 6.329 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.583 6.554 6.746 1.00 0.00 C ATOM 0 H TRP A 15 -10.665 5.203 2.429 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.543 4.943 2.785 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.104 4.423 5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.748 5.528 5.106 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.484 8.263 5.096 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.550 9.458 6.108 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.437 4.163 5.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.141 8.671 6.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.722 4.464 6.419 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.585 6.622 7.144 1.00 0.00 H new ATOM 204 N PHE A 16 -13.631 7.289 2.042 1.00 0.00 N ATOM 205 CA PHE A 16 -13.671 8.614 1.447 1.00 0.00 C ATOM 206 C PHE A 16 -14.287 9.630 2.412 1.00 0.00 C ATOM 207 O PHE A 16 -15.280 9.337 3.076 1.00 0.00 O ATOM 208 CB PHE A 16 -14.550 8.517 0.198 1.00 0.00 C ATOM 209 CG PHE A 16 -14.654 9.823 -0.592 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.553 10.339 -1.202 1.00 0.00 C ATOM 211 CD2 PHE A 16 -15.848 10.468 -0.684 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.650 11.550 -1.936 1.00 0.00 C ATOM 213 CE2 PHE A 16 -15.945 11.680 -1.418 1.00 0.00 C ATOM 214 CZ PHE A 16 -14.844 12.196 -2.028 1.00 0.00 C ATOM 0 H PHE A 16 -14.518 6.786 2.022 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.660 8.946 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.152 7.740 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.551 8.203 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.605 9.827 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.722 10.059 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.776 11.959 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -16.893 12.192 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.918 13.118 -2.585 1.00 0.00 H new ATOM 224 N ASP A 17 -13.671 10.802 2.459 1.00 0.00 N ATOM 225 CA ASP A 17 -14.146 11.862 3.331 1.00 0.00 C ATOM 226 C ASP A 17 -14.686 13.014 2.480 1.00 0.00 C ATOM 227 O ASP A 17 -13.919 13.724 1.832 1.00 0.00 O ATOM 228 CB ASP A 17 -13.013 12.409 4.201 1.00 0.00 C ATOM 229 CG ASP A 17 -13.446 13.417 5.268 1.00 0.00 C ATOM 230 OD1 ASP A 17 -13.973 12.956 6.304 1.00 0.00 O ATOM 231 OD2 ASP A 17 -13.239 14.625 5.024 1.00 0.00 O ATOM 0 H ASP A 17 -12.847 11.041 1.907 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.925 11.448 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.517 11.573 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.274 12.882 3.554 1.00 0.00 H new ATOM 236 N LYS A 18 -16.003 13.162 2.509 1.00 0.00 N ATOM 237 CA LYS A 18 -16.654 14.214 1.748 1.00 0.00 C ATOM 238 C LYS A 18 -16.832 15.446 2.638 1.00 0.00 C ATOM 239 O LYS A 18 -16.883 16.571 2.144 1.00 0.00 O ATOM 240 CB LYS A 18 -17.960 13.704 1.136 1.00 0.00 C ATOM 241 CG LYS A 18 -19.017 13.471 2.218 1.00 0.00 C ATOM 242 CD LYS A 18 -19.366 11.985 2.332 1.00 0.00 C ATOM 243 CE LYS A 18 -20.454 11.757 3.383 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.601 10.313 3.672 1.00 0.00 N ATOM 0 H LYS A 18 -16.636 12.571 3.048 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.031 14.515 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.332 14.426 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.775 12.775 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.648 13.836 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.915 14.042 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.705 11.612 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.474 11.418 2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.202 12.293 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.402 12.161 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.343 10.176 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.863 9.809 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.700 9.937 4.032 1.00 0.00 H new ATOM 258 N VAL A 19 -16.920 15.191 3.935 1.00 0.00 N ATOM 259 CA VAL A 19 -17.091 16.265 4.899 1.00 0.00 C ATOM 260 C VAL A 19 -16.069 17.367 4.614 1.00 0.00 C ATOM 261 O VAL A 19 -16.439 18.486 4.263 1.00 0.00 O ATOM 262 CB VAL A 19 -16.993 15.712 6.322 1.00 0.00 C ATOM 263 CG1 VAL A 19 -18.230 14.883 6.675 1.00 0.00 C ATOM 264 CG2 VAL A 19 -15.714 14.892 6.505 1.00 0.00 C ATOM 0 H VAL A 19 -16.876 14.256 4.341 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.082 16.708 4.805 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.950 16.558 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -18.135 14.502 7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -19.120 15.509 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -18.318 14.047 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.669 14.511 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.714 14.057 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.846 15.524 6.315 1.00 0.00 H new ATOM 274 N GLY A 20 -14.803 17.013 4.777 1.00 0.00 N ATOM 275 CA GLY A 20 -13.725 17.958 4.542 1.00 0.00 C ATOM 276 C GLY A 20 -13.077 17.722 3.176 1.00 0.00 C ATOM 277 O GLY A 20 -12.140 18.424 2.800 1.00 0.00 O ATOM 0 H GLY A 20 -14.499 16.084 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.111 18.976 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.974 17.861 5.326 1.00 0.00 H new ATOM 281 N HIS A 21 -13.602 16.731 2.471 1.00 0.00 N ATOM 282 CA HIS A 21 -13.087 16.394 1.155 1.00 0.00 C ATOM 283 C HIS A 21 -11.673 15.824 1.288 1.00 0.00 C ATOM 284 O HIS A 21 -10.698 16.483 0.928 1.00 0.00 O ATOM 285 CB HIS A 21 -13.154 17.602 0.219 1.00 0.00 C ATOM 286 CG HIS A 21 -14.558 18.051 -0.104 1.00 0.00 C ATOM 287 ND1 HIS A 21 -14.964 19.371 -0.011 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.647 17.343 -0.522 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.241 19.442 -0.358 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.662 18.184 -0.674 1.00 0.00 N ATOM 0 H HIS A 21 -14.379 16.150 2.786 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.711 15.623 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.614 18.432 0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.639 17.358 -0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.678 16.278 -0.699 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -16.843 20.339 -0.386 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.602 17.931 -0.977 1.00 0.00 H new ATOM 298 N GLN A 22 -11.606 14.606 1.806 1.00 0.00 N ATOM 299 CA GLN A 22 -10.328 13.941 1.990 1.00 0.00 C ATOM 300 C GLN A 22 -10.471 12.438 1.740 1.00 0.00 C ATOM 301 O GLN A 22 -11.581 11.910 1.730 1.00 0.00 O ATOM 302 CB GLN A 22 -9.765 14.213 3.387 1.00 0.00 C ATOM 303 CG GLN A 22 -10.324 15.517 3.959 1.00 0.00 C ATOM 304 CD GLN A 22 -9.930 15.685 5.428 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.331 16.669 5.828 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.300 14.671 6.206 1.00 0.00 N ATOM 0 H GLN A 22 -12.416 14.063 2.104 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.622 14.345 1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.013 13.385 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.677 14.269 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.951 16.362 3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.410 15.522 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.800 13.877 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.084 14.688 7.203 1.00 0.00 H new ATOM 315 N LEU A 23 -9.330 11.792 1.544 1.00 0.00 N ATOM 316 CA LEU A 23 -9.314 10.361 1.294 1.00 0.00 C ATOM 317 C LEU A 23 -8.562 9.659 2.426 1.00 0.00 C ATOM 318 O LEU A 23 -7.373 9.901 2.630 1.00 0.00 O ATOM 319 CB LEU A 23 -8.749 10.066 -0.096 1.00 0.00 C ATOM 320 CG LEU A 23 -8.724 8.594 -0.512 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.143 8.036 -0.640 1.00 0.00 C ATOM 322 CD2 LEU A 23 -7.914 8.400 -1.796 1.00 0.00 C ATOM 0 H LEU A 23 -8.411 12.234 1.553 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.329 9.963 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.335 10.620 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.731 10.453 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.224 8.026 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.097 6.988 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.655 8.119 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.690 8.603 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.912 7.345 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.363 8.983 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.889 8.734 -1.634 1.00 0.00 H new ATOM 334 N ILE A 24 -9.285 8.802 3.132 1.00 0.00 N ATOM 335 CA ILE A 24 -8.700 8.063 4.238 1.00 0.00 C ATOM 336 C ILE A 24 -8.107 6.754 3.714 1.00 0.00 C ATOM 337 O ILE A 24 -8.789 5.986 3.038 1.00 0.00 O ATOM 338 CB ILE A 24 -9.728 7.869 5.355 1.00 0.00 C ATOM 339 CG1 ILE A 24 -10.017 9.190 6.070 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.279 6.776 6.328 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.428 10.275 5.073 1.00 0.00 C ATOM 0 H ILE A 24 -10.270 8.603 2.960 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.881 8.628 4.684 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.663 7.536 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.811 9.045 6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.132 9.512 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.027 6.658 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.165 5.835 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.325 7.056 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.628 11.204 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.622 10.435 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.327 9.961 4.543 1.00 0.00 H new ATOM 353 N VAL A 25 -6.842 6.540 4.045 1.00 0.00 N ATOM 354 CA VAL A 25 -6.149 5.338 3.616 1.00 0.00 C ATOM 355 C VAL A 25 -5.459 4.694 4.821 1.00 0.00 C ATOM 356 O VAL A 25 -4.424 5.176 5.278 1.00 0.00 O ATOM 357 CB VAL A 25 -5.180 5.669 2.479 1.00 0.00 C ATOM 358 CG1 VAL A 25 -4.529 4.400 1.925 1.00 0.00 C ATOM 359 CG2 VAL A 25 -5.884 6.454 1.370 1.00 0.00 C ATOM 0 H VAL A 25 -6.279 7.180 4.606 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.857 4.611 3.220 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.389 6.300 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.845 4.664 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.976 3.898 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.301 3.732 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.173 6.677 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.704 5.860 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.277 7.386 1.777 1.00 0.00 H new ATOM 369 N THR A 26 -6.061 3.615 5.300 1.00 0.00 N ATOM 370 CA THR A 26 -5.518 2.901 6.443 1.00 0.00 C ATOM 371 C THR A 26 -4.873 1.589 5.994 1.00 0.00 C ATOM 372 O THR A 26 -5.508 0.779 5.321 1.00 0.00 O ATOM 373 CB THR A 26 -6.645 2.708 7.459 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.505 3.813 8.348 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.427 1.483 8.350 1.00 0.00 C ATOM 0 H THR A 26 -6.919 3.218 4.917 1.00 0.00 H new ATOM 0 HA THR A 26 -4.722 3.470 6.924 1.00 0.00 H new ATOM 0 HB THR A 26 -7.594 2.610 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.805 3.618 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.255 1.392 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.376 0.587 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.494 1.596 8.902 1.00 0.00 H new ATOM 383 N ILE A 27 -3.618 1.419 6.385 1.00 0.00 N ATOM 384 CA ILE A 27 -2.880 0.219 6.031 1.00 0.00 C ATOM 385 C ILE A 27 -2.914 -0.761 7.206 1.00 0.00 C ATOM 386 O ILE A 27 -2.059 -0.708 8.088 1.00 0.00 O ATOM 387 CB ILE A 27 -1.466 0.576 5.570 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.504 1.492 4.345 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.636 -0.685 5.317 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.072 0.759 3.128 1.00 0.00 C ATOM 0 H ILE A 27 -3.094 2.093 6.944 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.350 -0.281 5.184 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.975 1.129 6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.113 2.370 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.498 1.849 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.365 -0.402 4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.567 -1.266 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.114 -1.286 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.088 1.433 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.447 -0.104 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.087 0.425 3.345 1.00 0.00 H new ATOM 402 N LEU A 28 -3.912 -1.633 7.179 1.00 0.00 N ATOM 403 CA LEU A 28 -4.069 -2.623 8.231 1.00 0.00 C ATOM 404 C LEU A 28 -2.773 -3.424 8.368 1.00 0.00 C ATOM 405 O LEU A 28 -1.816 -2.962 8.987 1.00 0.00 O ATOM 406 CB LEU A 28 -5.303 -3.489 7.971 1.00 0.00 C ATOM 407 CG LEU A 28 -6.650 -2.763 7.997 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.665 -3.459 7.088 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.167 -2.619 9.430 1.00 0.00 C ATOM 0 H LEU A 28 -4.619 -1.674 6.445 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.246 -2.136 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.189 -3.966 6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.327 -4.285 8.715 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.504 -1.757 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.614 -2.923 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.292 -3.466 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.814 -4.484 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.125 -2.100 9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.294 -3.607 9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.450 -2.047 10.020 1.00 0.00 H new ATOM 421 N GLY A 29 -2.784 -4.612 7.782 1.00 0.00 N ATOM 422 CA GLY A 29 -1.621 -5.482 7.832 1.00 0.00 C ATOM 423 C GLY A 29 -1.674 -6.531 6.719 1.00 0.00 C ATOM 424 O GLY A 29 -2.716 -6.729 6.095 1.00 0.00 O ATOM 0 H GLY A 29 -3.580 -4.993 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.713 -4.887 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.574 -5.977 8.802 1.00 0.00 H new ATOM 428 N ALA A 30 -0.537 -7.177 6.504 1.00 0.00 N ATOM 429 CA ALA A 30 -0.440 -8.201 5.478 1.00 0.00 C ATOM 430 C ALA A 30 -0.467 -9.581 6.137 1.00 0.00 C ATOM 431 O ALA A 30 -0.455 -9.689 7.362 1.00 0.00 O ATOM 432 CB ALA A 30 0.826 -7.975 4.649 1.00 0.00 C ATOM 0 H ALA A 30 0.325 -7.011 7.023 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.290 -8.144 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.899 -8.743 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.782 -6.993 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.700 -8.028 5.298 1.00 0.00 H new ATOM 438 N LYS A 31 -0.502 -10.603 5.294 1.00 0.00 N ATOM 439 CA LYS A 31 -0.530 -11.972 5.779 1.00 0.00 C ATOM 440 C LYS A 31 -0.069 -12.914 4.665 1.00 0.00 C ATOM 441 O LYS A 31 0.108 -12.490 3.524 1.00 0.00 O ATOM 442 CB LYS A 31 -1.913 -12.314 6.339 1.00 0.00 C ATOM 443 CG LYS A 31 -2.970 -12.302 5.234 1.00 0.00 C ATOM 444 CD LYS A 31 -3.282 -13.722 4.757 1.00 0.00 C ATOM 445 CE LYS A 31 -4.519 -14.278 5.464 1.00 0.00 C ATOM 446 NZ LYS A 31 -4.319 -15.702 5.816 1.00 0.00 N ATOM 0 H LYS A 31 -0.512 -10.510 4.278 1.00 0.00 H new ATOM 0 HA LYS A 31 0.165 -12.095 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.886 -13.296 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.183 -11.596 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.881 -11.830 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.617 -11.702 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.445 -13.720 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.427 -14.370 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.721 -13.699 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.391 -14.176 4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.866 -16.301 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.309 -15.940 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.641 -15.867 6.791 1.00 0.00 H new ATOM 460 N ASP A 32 0.112 -14.173 5.035 1.00 0.00 N ATOM 461 CA ASP A 32 0.550 -15.178 4.080 1.00 0.00 C ATOM 462 C ASP A 32 1.620 -14.576 3.168 1.00 0.00 C ATOM 463 O ASP A 32 1.582 -14.764 1.953 1.00 0.00 O ATOM 464 CB ASP A 32 -0.612 -15.645 3.202 1.00 0.00 C ATOM 465 CG ASP A 32 -1.554 -16.656 3.859 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.445 -16.813 5.095 1.00 0.00 O ATOM 467 OD2 ASP A 32 -2.361 -17.249 3.111 1.00 0.00 O ATOM 0 H ASP A 32 -0.036 -14.521 5.982 1.00 0.00 H new ATOM 0 HA ASP A 32 0.944 -16.027 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.193 -14.773 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.205 -16.088 2.293 1.00 0.00 H new ATOM 472 N LEU A 33 2.550 -13.865 3.789 1.00 0.00 N ATOM 473 CA LEU A 33 3.629 -13.235 3.047 1.00 0.00 C ATOM 474 C LEU A 33 4.691 -14.283 2.710 1.00 0.00 C ATOM 475 O LEU A 33 4.968 -15.172 3.514 1.00 0.00 O ATOM 476 CB LEU A 33 4.176 -12.031 3.817 1.00 0.00 C ATOM 477 CG LEU A 33 3.969 -10.664 3.161 1.00 0.00 C ATOM 478 CD1 LEU A 33 2.548 -10.532 2.608 1.00 0.00 C ATOM 479 CD2 LEU A 33 4.315 -9.532 4.130 1.00 0.00 C ATOM 0 H LEU A 33 2.579 -13.711 4.797 1.00 0.00 H new ATOM 0 HA LEU A 33 3.260 -12.839 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.710 -12.013 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.245 -12.179 3.972 1.00 0.00 H new ATOM 0 HG LEU A 33 4.653 -10.583 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.427 -9.552 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.374 -11.308 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.830 -10.642 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.159 -8.572 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.675 -9.598 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.358 -9.619 4.433 1.00 0.00 H new ATOM 612 N ARG A 42 11.930 -11.283 7.084 1.00 0.00 N ATOM 613 CA ARG A 42 12.393 -10.022 6.529 1.00 0.00 C ATOM 614 C ARG A 42 11.633 -8.854 7.161 1.00 0.00 C ATOM 615 O ARG A 42 10.861 -9.045 8.099 1.00 0.00 O ATOM 616 CB ARG A 42 12.203 -9.985 5.012 1.00 0.00 C ATOM 617 CG ARG A 42 10.870 -10.620 4.610 1.00 0.00 C ATOM 618 CD ARG A 42 10.295 -9.946 3.363 1.00 0.00 C ATOM 619 NE ARG A 42 9.408 -10.887 2.643 1.00 0.00 N ATOM 620 CZ ARG A 42 8.111 -11.066 2.931 1.00 0.00 C ATOM 621 NH1 ARG A 42 7.543 -10.371 3.925 1.00 0.00 N ATOM 622 NH2 ARG A 42 7.383 -11.942 2.224 1.00 0.00 N ATOM 0 HA ARG A 42 13.456 -9.931 6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.238 -8.953 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.023 -10.514 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.013 -11.684 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.160 -10.536 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.738 -9.053 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.104 -9.623 2.708 1.00 0.00 H new ATOM 0 HE ARG A 42 9.808 -11.433 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.097 -9.705 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.556 -10.508 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.816 -12.472 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.396 -12.079 2.443 1.00 0.00 H new ATOM 636 N ASN A 43 11.878 -7.669 6.621 1.00 0.00 N ATOM 637 CA ASN A 43 11.227 -6.470 7.119 1.00 0.00 C ATOM 638 C ASN A 43 10.292 -5.917 6.042 1.00 0.00 C ATOM 639 O ASN A 43 10.711 -5.125 5.198 1.00 0.00 O ATOM 640 CB ASN A 43 12.252 -5.386 7.457 1.00 0.00 C ATOM 641 CG ASN A 43 13.417 -5.965 8.262 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.275 -6.916 9.014 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.575 -5.341 8.064 1.00 0.00 N ATOM 0 H ASN A 43 12.519 -7.514 5.843 1.00 0.00 H new ATOM 0 HA ASN A 43 10.674 -6.737 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.628 -4.937 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.771 -4.591 8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.413 -5.652 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.625 -4.551 7.421 1.00 0.00 H new ATOM 650 N PRO A 44 9.011 -6.367 6.106 1.00 0.00 N ATOM 651 CA PRO A 44 8.013 -5.926 5.146 1.00 0.00 C ATOM 652 C PRO A 44 7.561 -4.495 5.443 1.00 0.00 C ATOM 653 O PRO A 44 7.673 -4.027 6.575 1.00 0.00 O ATOM 654 CB PRO A 44 6.886 -6.940 5.256 1.00 0.00 C ATOM 655 CG PRO A 44 7.083 -7.639 6.591 1.00 0.00 C ATOM 656 CD PRO A 44 8.479 -7.305 7.090 1.00 0.00 C ATOM 0 HA PRO A 44 8.398 -5.887 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.914 -6.449 5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.921 -7.653 4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.332 -7.310 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.965 -8.717 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.448 -6.860 8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.099 -8.199 7.160 1.00 0.00 H new ATOM 664 N TYR A 45 7.060 -3.839 4.406 1.00 0.00 N ATOM 665 CA TYR A 45 6.591 -2.471 4.542 1.00 0.00 C ATOM 666 C TYR A 45 5.812 -2.032 3.301 1.00 0.00 C ATOM 667 O TYR A 45 6.268 -2.229 2.176 1.00 0.00 O ATOM 668 CB TYR A 45 7.846 -1.606 4.674 1.00 0.00 C ATOM 669 CG TYR A 45 8.479 -1.220 3.335 1.00 0.00 C ATOM 670 CD1 TYR A 45 7.890 -0.253 2.546 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.640 -1.839 2.917 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.485 0.110 1.287 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.235 -1.476 1.657 1.00 0.00 C ATOM 674 CZ TYR A 45 9.629 -0.519 0.904 1.00 0.00 C ATOM 675 OH TYR A 45 10.191 -0.176 -0.286 1.00 0.00 O ATOM 0 H TYR A 45 6.969 -4.230 3.468 1.00 0.00 H new ATOM 0 HA TYR A 45 5.926 -2.377 5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.593 -0.697 5.220 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.583 -2.142 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.982 0.232 2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.102 -2.595 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.034 0.865 0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.142 -1.953 1.317 1.00 0.00 H new ATOM 0 HH TYR A 45 11.003 -0.705 -0.429 1.00 0.00 H new ATOM 685 N VAL A 46 4.650 -1.446 3.547 1.00 0.00 N ATOM 686 CA VAL A 46 3.803 -0.978 2.463 1.00 0.00 C ATOM 687 C VAL A 46 4.231 0.434 2.061 1.00 0.00 C ATOM 688 O VAL A 46 4.910 1.122 2.822 1.00 0.00 O ATOM 689 CB VAL A 46 2.331 -1.062 2.875 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.412 -0.805 1.680 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.021 -2.412 3.526 1.00 0.00 C ATOM 0 H VAL A 46 4.275 -1.284 4.482 1.00 0.00 H new ATOM 0 HA VAL A 46 3.918 -1.615 1.586 1.00 0.00 H new ATOM 0 HB VAL A 46 2.144 -0.283 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.372 -0.871 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.606 0.190 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.602 -1.551 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.969 -2.446 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.233 -3.214 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.640 -2.539 4.414 1.00 0.00 H new ATOM 701 N LYS A 47 3.816 0.825 0.864 1.00 0.00 N ATOM 702 CA LYS A 47 4.149 2.144 0.351 1.00 0.00 C ATOM 703 C LYS A 47 3.018 2.632 -0.557 1.00 0.00 C ATOM 704 O LYS A 47 2.800 2.080 -1.634 1.00 0.00 O ATOM 705 CB LYS A 47 5.519 2.124 -0.329 1.00 0.00 C ATOM 706 CG LYS A 47 6.158 3.514 -0.315 1.00 0.00 C ATOM 707 CD LYS A 47 6.831 3.822 -1.654 1.00 0.00 C ATOM 708 CE LYS A 47 8.090 2.975 -1.843 1.00 0.00 C ATOM 709 NZ LYS A 47 9.302 3.779 -1.568 1.00 0.00 N ATOM 0 H LYS A 47 3.253 0.252 0.235 1.00 0.00 H new ATOM 0 HA LYS A 47 4.235 2.861 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.171 1.415 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.414 1.779 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.397 4.266 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.893 3.572 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.133 3.629 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.090 4.880 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.059 2.113 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.126 2.589 -2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.148 3.189 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.338 4.587 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.273 4.127 -0.588 1.00 0.00 H new ATOM 723 N ILE A 48 2.330 3.663 -0.088 1.00 0.00 N ATOM 724 CA ILE A 48 1.227 4.232 -0.844 1.00 0.00 C ATOM 725 C ILE A 48 1.752 5.369 -1.724 1.00 0.00 C ATOM 726 O ILE A 48 2.712 6.047 -1.362 1.00 0.00 O ATOM 727 CB ILE A 48 0.095 4.653 0.094 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.372 3.476 0.953 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.058 5.286 -0.687 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.393 3.853 2.436 1.00 0.00 C ATOM 0 H ILE A 48 2.515 4.119 0.806 1.00 0.00 H new ATOM 0 HA ILE A 48 0.796 3.485 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 48 0.480 5.414 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.368 3.165 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.291 2.624 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.849 5.576 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.698 6.168 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.450 4.566 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.729 2.999 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.610 4.140 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.075 4.689 2.589 1.00 0.00 H new ATOM 742 N TYR A 49 1.098 5.542 -2.863 1.00 0.00 N ATOM 743 CA TYR A 49 1.486 6.585 -3.798 1.00 0.00 C ATOM 744 C TYR A 49 0.291 7.041 -4.638 1.00 0.00 C ATOM 745 O TYR A 49 -0.077 6.383 -5.609 1.00 0.00 O ATOM 746 CB TYR A 49 2.532 5.957 -4.720 1.00 0.00 C ATOM 747 CG TYR A 49 3.976 6.311 -4.356 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.332 7.628 -4.150 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.921 5.312 -4.233 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.691 7.960 -3.807 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.279 5.645 -3.891 1.00 0.00 C ATOM 752 CZ TYR A 49 6.597 6.953 -3.694 1.00 0.00 C ATOM 753 OH TYR A 49 7.880 7.267 -3.371 1.00 0.00 O ATOM 0 H TYR A 49 0.302 4.978 -3.160 1.00 0.00 H new ATOM 0 HA TYR A 49 1.868 7.456 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.418 4.873 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.338 6.276 -5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.592 8.409 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.641 4.281 -4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.984 8.987 -3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.029 4.874 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 49 8.415 6.448 -3.324 1.00 0.00 H new ATOM 763 N PHE A 50 -0.282 8.165 -4.232 1.00 0.00 N ATOM 764 CA PHE A 50 -1.428 8.717 -4.935 1.00 0.00 C ATOM 765 C PHE A 50 -1.046 9.146 -6.353 1.00 0.00 C ATOM 766 O PHE A 50 -0.655 10.291 -6.575 1.00 0.00 O ATOM 767 CB PHE A 50 -1.885 9.947 -4.148 1.00 0.00 C ATOM 768 CG PHE A 50 -3.338 10.348 -4.410 1.00 0.00 C ATOM 769 CD1 PHE A 50 -3.638 11.188 -5.437 1.00 0.00 C ATOM 770 CD2 PHE A 50 -4.331 9.864 -3.616 1.00 0.00 C ATOM 771 CE1 PHE A 50 -4.987 11.560 -5.679 1.00 0.00 C ATOM 772 CE2 PHE A 50 -5.679 10.236 -3.858 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.979 11.076 -4.885 1.00 0.00 C ATOM 0 H PHE A 50 0.026 8.708 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.215 7.967 -5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.759 9.752 -3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.236 10.787 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.850 11.572 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.093 9.196 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.225 12.228 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.467 9.852 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.005 11.358 -5.070 1.00 0.00 H new ATOM 783 N LEU A 51 -1.173 8.204 -7.276 1.00 0.00 N ATOM 784 CA LEU A 51 -0.846 8.470 -8.667 1.00 0.00 C ATOM 785 C LEU A 51 -1.720 9.616 -9.181 1.00 0.00 C ATOM 786 O LEU A 51 -2.826 9.829 -8.687 1.00 0.00 O ATOM 787 CB LEU A 51 -0.959 7.191 -9.498 1.00 0.00 C ATOM 788 CG LEU A 51 0.019 6.070 -9.139 1.00 0.00 C ATOM 789 CD1 LEU A 51 -0.071 4.921 -10.145 1.00 0.00 C ATOM 790 CD2 LEU A 51 1.445 6.607 -9.008 1.00 0.00 C ATOM 0 H LEU A 51 -1.498 7.256 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 51 0.191 8.792 -8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.974 6.806 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.816 7.449 -10.547 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.264 5.669 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.634 4.138 -9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.083 4.515 -10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.171 5.290 -11.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.119 5.790 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.755 7.051 -9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.478 7.364 -8.224 1.00 0.00 H new ATOM 933 N ARG A 60 2.643 8.323 1.208 1.00 0.00 N ATOM 934 CA ARG A 60 2.251 7.745 2.482 1.00 0.00 C ATOM 935 C ARG A 60 2.853 6.347 2.638 1.00 0.00 C ATOM 936 O ARG A 60 2.571 5.453 1.842 1.00 0.00 O ATOM 937 CB ARG A 60 0.728 7.653 2.600 1.00 0.00 C ATOM 938 CG ARG A 60 0.110 9.037 2.811 1.00 0.00 C ATOM 939 CD ARG A 60 0.370 9.542 4.231 1.00 0.00 C ATOM 940 NE ARG A 60 -0.114 10.934 4.369 1.00 0.00 N ATOM 941 CZ ARG A 60 0.311 11.787 5.312 1.00 0.00 C ATOM 942 NH1 ARG A 60 1.230 11.396 6.204 1.00 0.00 N ATOM 943 NH2 ARG A 60 -0.184 13.031 5.361 1.00 0.00 N ATOM 0 HA ARG A 60 2.626 8.396 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.316 7.201 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.463 7.002 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.527 9.739 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.964 8.992 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.135 8.899 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.436 9.495 4.453 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.814 11.265 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.607 10.449 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.553 12.045 6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.884 13.329 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.139 13.680 6.078 1.00 0.00 H new ATOM 957 N ARG A 61 3.672 6.202 3.670 1.00 0.00 N ATOM 958 CA ARG A 61 4.316 4.928 3.941 1.00 0.00 C ATOM 959 C ARG A 61 4.206 4.583 5.428 1.00 0.00 C ATOM 960 O ARG A 61 4.369 5.452 6.284 1.00 0.00 O ATOM 961 CB ARG A 61 5.792 4.961 3.540 1.00 0.00 C ATOM 962 CG ARG A 61 6.548 3.769 4.132 1.00 0.00 C ATOM 963 CD ARG A 61 7.935 3.632 3.501 1.00 0.00 C ATOM 964 NE ARG A 61 8.973 3.633 4.556 1.00 0.00 N ATOM 965 CZ ARG A 61 9.505 4.743 5.085 1.00 0.00 C ATOM 966 NH1 ARG A 61 9.100 5.948 4.662 1.00 0.00 N ATOM 967 NH2 ARG A 61 10.442 4.647 6.039 1.00 0.00 N ATOM 0 H ARG A 61 3.904 6.946 4.328 1.00 0.00 H new ATOM 0 HA ARG A 61 3.807 4.167 3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.878 4.947 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.245 5.891 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.646 3.895 5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.978 2.854 3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.992 2.709 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.110 4.453 2.806 1.00 0.00 H new ATOM 0 HE ARG A 61 9.304 2.732 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.386 6.021 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.505 6.793 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.749 3.729 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.848 5.492 6.442 1.00 0.00 H new ATOM 981 N THR A 62 3.931 3.314 5.689 1.00 0.00 N ATOM 982 CA THR A 62 3.797 2.844 7.058 1.00 0.00 C ATOM 983 C THR A 62 5.173 2.536 7.652 1.00 0.00 C ATOM 984 O THR A 62 6.170 2.502 6.934 1.00 0.00 O ATOM 985 CB THR A 62 2.853 1.640 7.054 1.00 0.00 C ATOM 986 OG1 THR A 62 3.501 0.694 6.207 1.00 0.00 O ATOM 987 CG2 THR A 62 1.532 1.934 6.341 1.00 0.00 C ATOM 0 H THR A 62 3.797 2.597 4.976 1.00 0.00 H new ATOM 0 HA THR A 62 3.365 3.612 7.700 1.00 0.00 H new ATOM 0 HB THR A 62 2.651 1.334 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.607 -0.155 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.899 1.047 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.023 2.757 6.842 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.731 2.208 5.305 1.00 0.00 H new ATOM 995 N LYS A 63 5.182 2.319 8.959 1.00 0.00 N ATOM 996 CA LYS A 63 6.419 2.015 9.659 1.00 0.00 C ATOM 997 C LYS A 63 6.970 0.680 9.154 1.00 0.00 C ATOM 998 O LYS A 63 6.207 -0.225 8.821 1.00 0.00 O ATOM 999 CB LYS A 63 6.202 2.058 11.173 1.00 0.00 C ATOM 1000 CG LYS A 63 4.953 1.269 11.571 1.00 0.00 C ATOM 1001 CD LYS A 63 5.149 0.578 12.922 1.00 0.00 C ATOM 1002 CE LYS A 63 4.750 -0.897 12.846 1.00 0.00 C ATOM 1003 NZ LYS A 63 5.947 -1.763 12.938 1.00 0.00 N ATOM 0 H LYS A 63 4.352 2.348 9.552 1.00 0.00 H new ATOM 0 HA LYS A 63 7.174 2.773 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.074 1.646 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.102 3.093 11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.096 1.940 11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.730 0.525 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.192 0.661 13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.552 1.081 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.059 -1.135 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.225 -1.090 11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.667 -2.707 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.390 -1.844 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.626 -1.347 13.606 1.00 0.00 H new ATOM 1017 N THR A 64 8.292 0.600 9.113 1.00 0.00 N ATOM 1018 CA THR A 64 8.955 -0.609 8.655 1.00 0.00 C ATOM 1019 C THR A 64 9.012 -1.645 9.779 1.00 0.00 C ATOM 1020 O THR A 64 9.638 -1.411 10.812 1.00 0.00 O ATOM 1021 CB THR A 64 10.333 -0.218 8.117 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.049 0.473 6.904 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.153 -1.431 7.673 1.00 0.00 C ATOM 0 H THR A 64 8.922 1.353 9.390 1.00 0.00 H new ATOM 0 HA THR A 64 8.398 -1.084 7.847 1.00 0.00 H new ATOM 0 HB THR A 64 10.881 0.329 8.884 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.888 0.764 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.122 -1.099 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.301 -2.100 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.621 -1.960 6.882 1.00 0.00 H new ATOM 1031 N VAL A 65 8.351 -2.768 9.541 1.00 0.00 N ATOM 1032 CA VAL A 65 8.319 -3.840 10.521 1.00 0.00 C ATOM 1033 C VAL A 65 9.536 -4.746 10.319 1.00 0.00 C ATOM 1034 O VAL A 65 9.954 -4.988 9.188 1.00 0.00 O ATOM 1035 CB VAL A 65 6.991 -4.594 10.429 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.541 -5.081 11.807 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.914 -3.728 9.773 1.00 0.00 C ATOM 0 H VAL A 65 7.833 -2.959 8.683 1.00 0.00 H new ATOM 0 HA VAL A 65 8.378 -3.436 11.531 1.00 0.00 H new ATOM 0 HB VAL A 65 7.145 -5.470 9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.595 -5.614 11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.295 -5.751 12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.412 -4.226 12.471 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.980 -4.287 9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.763 -2.825 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.231 -3.454 8.767 1.00 0.00 H new ATOM 1047 N LYS A 66 10.071 -5.221 11.434 1.00 0.00 N ATOM 1048 CA LYS A 66 11.232 -6.094 11.394 1.00 0.00 C ATOM 1049 C LYS A 66 10.804 -7.520 11.748 1.00 0.00 C ATOM 1050 O LYS A 66 10.031 -7.726 12.682 1.00 0.00 O ATOM 1051 CB LYS A 66 12.346 -5.546 12.288 1.00 0.00 C ATOM 1052 CG LYS A 66 12.649 -4.085 11.953 1.00 0.00 C ATOM 1053 CD LYS A 66 14.023 -3.946 11.295 1.00 0.00 C ATOM 1054 CE LYS A 66 14.697 -2.635 11.703 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.162 -2.817 11.812 1.00 0.00 N ATOM 0 H LYS A 66 9.722 -5.018 12.371 1.00 0.00 H new ATOM 0 HA LYS A 66 11.650 -6.126 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.052 -5.629 13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.247 -6.146 12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.881 -3.695 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.615 -3.485 12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.654 -4.788 11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.916 -3.982 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.474 -1.861 10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.295 -2.294 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.604 -1.917 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.369 -3.541 12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.543 -3.121 10.893 1.00 0.00 H new ATOM 1069 N LYS A 67 11.327 -8.468 10.984 1.00 0.00 N ATOM 1070 CA LYS A 67 11.009 -9.868 11.205 1.00 0.00 C ATOM 1071 C LYS A 67 9.520 -10.004 11.528 1.00 0.00 C ATOM 1072 O LYS A 67 9.131 -9.990 12.695 1.00 0.00 O ATOM 1073 CB LYS A 67 11.927 -10.463 12.274 1.00 0.00 C ATOM 1074 CG LYS A 67 13.363 -10.583 11.759 1.00 0.00 C ATOM 1075 CD LYS A 67 14.368 -10.171 12.837 1.00 0.00 C ATOM 1076 CE LYS A 67 14.573 -11.297 13.853 1.00 0.00 C ATOM 1077 NZ LYS A 67 15.077 -10.752 15.134 1.00 0.00 N ATOM 0 H LYS A 67 11.969 -8.294 10.211 1.00 0.00 H new ATOM 0 HA LYS A 67 11.193 -10.448 10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.908 -9.836 13.165 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.559 -11.446 12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.557 -11.610 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.491 -9.954 10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.321 -9.917 12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.013 -9.276 13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.632 -11.821 14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.279 -12.027 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.211 -11.528 15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.985 -10.272 14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.389 -10.072 15.517 1.00 0.00 H new ATOM 1091 N THR A 68 8.727 -10.131 10.474 1.00 0.00 N ATOM 1092 CA THR A 68 7.289 -10.269 10.632 1.00 0.00 C ATOM 1093 C THR A 68 6.616 -10.430 9.267 1.00 0.00 C ATOM 1094 O THR A 68 6.574 -9.488 8.477 1.00 0.00 O ATOM 1095 CB THR A 68 6.782 -9.060 11.421 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.709 -9.580 12.201 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.117 -8.013 10.525 1.00 0.00 C ATOM 0 H THR A 68 9.053 -10.141 9.508 1.00 0.00 H new ATOM 0 HA THR A 68 7.037 -11.169 11.192 1.00 0.00 H new ATOM 0 HB THR A 68 7.613 -8.603 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.323 -8.863 12.746 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.775 -7.177 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.836 -7.655 9.788 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.265 -8.461 10.013 1.00 0.00 H new ATOM 1105 N LEU A 69 6.107 -11.630 9.032 1.00 0.00 N ATOM 1106 CA LEU A 69 5.439 -11.926 7.776 1.00 0.00 C ATOM 1107 C LEU A 69 4.030 -11.329 7.800 1.00 0.00 C ATOM 1108 O LEU A 69 3.398 -11.180 6.756 1.00 0.00 O ATOM 1109 CB LEU A 69 5.464 -13.431 7.498 1.00 0.00 C ATOM 1110 CG LEU A 69 6.849 -14.055 7.314 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.774 -15.582 7.379 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.502 -13.568 6.019 1.00 0.00 C ATOM 0 H LEU A 69 6.144 -12.409 9.690 1.00 0.00 H new ATOM 0 HA LEU A 69 5.969 -11.462 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.964 -13.941 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.878 -13.624 6.600 1.00 0.00 H new ATOM 0 HG LEU A 69 7.484 -13.728 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.771 -16.001 7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.379 -15.886 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.118 -15.948 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.485 -14.026 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.878 -13.846 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.609 -12.484 6.051 1.00 0.00 H new ATOM 1124 N GLU A 70 3.580 -11.004 9.003 1.00 0.00 N ATOM 1125 CA GLU A 70 2.258 -10.427 9.177 1.00 0.00 C ATOM 1126 C GLU A 70 2.355 -9.091 9.916 1.00 0.00 C ATOM 1127 O GLU A 70 2.120 -9.026 11.122 1.00 0.00 O ATOM 1128 CB GLU A 70 1.330 -11.394 9.913 1.00 0.00 C ATOM 1129 CG GLU A 70 0.729 -12.419 8.948 1.00 0.00 C ATOM 1130 CD GLU A 70 0.511 -13.765 9.643 1.00 0.00 C ATOM 1131 OE1 GLU A 70 1.533 -14.395 9.992 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.672 -14.132 9.811 1.00 0.00 O ATOM 0 H GLU A 70 4.108 -11.129 9.867 1.00 0.00 H new ATOM 0 HA GLU A 70 1.830 -10.245 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.884 -11.909 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.531 -10.836 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.220 -12.047 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.392 -12.551 8.093 1.00 0.00 H new ATOM 1139 N PRO A 71 2.712 -8.030 9.143 1.00 0.00 N ATOM 1140 CA PRO A 71 2.844 -6.700 9.712 1.00 0.00 C ATOM 1141 C PRO A 71 1.471 -6.083 9.986 1.00 0.00 C ATOM 1142 O PRO A 71 0.515 -6.335 9.253 1.00 0.00 O ATOM 1143 CB PRO A 71 3.655 -5.915 8.694 1.00 0.00 C ATOM 1144 CG PRO A 71 3.552 -6.691 7.391 1.00 0.00 C ATOM 1145 CD PRO A 71 2.999 -8.070 7.712 1.00 0.00 C ATOM 0 HA PRO A 71 3.343 -6.705 10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.264 -4.904 8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.694 -5.820 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.900 -6.172 6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.530 -6.773 6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.100 -8.281 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.721 -8.851 7.475 1.00 0.00 H new ATOM 1153 N LYS A 72 1.416 -5.285 11.042 1.00 0.00 N ATOM 1154 CA LYS A 72 0.176 -4.630 11.422 1.00 0.00 C ATOM 1155 C LYS A 72 0.439 -3.139 11.642 1.00 0.00 C ATOM 1156 O LYS A 72 0.830 -2.728 12.733 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.452 -5.328 12.629 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.947 -6.728 12.257 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.148 -7.131 13.115 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.694 -7.801 14.413 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.859 -8.321 15.163 1.00 0.00 N ATOM 0 H LYS A 72 2.211 -5.077 11.647 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.558 -4.710 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.280 -5.399 13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.284 -4.733 13.006 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.224 -6.751 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.141 -7.450 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.746 -6.250 13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.788 -7.812 12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.006 -8.616 14.187 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.149 -7.085 15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.533 -8.773 16.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.501 -7.536 15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.363 -9.020 14.581 1.00 0.00 H new ATOM 1175 N TRP A 73 0.213 -2.368 10.588 1.00 0.00 N ATOM 1176 CA TRP A 73 0.420 -0.932 10.652 1.00 0.00 C ATOM 1177 C TRP A 73 -0.876 -0.289 11.151 1.00 0.00 C ATOM 1178 O TRP A 73 -0.843 0.614 11.985 1.00 0.00 O ATOM 1179 CB TRP A 73 0.878 -0.382 9.300 1.00 0.00 C ATOM 1180 CG TRP A 73 1.920 -1.253 8.595 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.251 -1.233 8.748 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.662 -2.280 7.615 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.867 -2.168 7.941 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.870 -2.825 7.230 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.447 -2.734 7.071 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 2.981 -3.853 6.286 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.576 -3.761 6.129 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.784 -4.320 5.730 1.00 0.00 C ATOM 0 H TRP A 73 -0.112 -2.712 9.684 1.00 0.00 H new ATOM 0 HA TRP A 73 1.221 -0.689 11.350 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.010 -0.274 8.650 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.292 0.616 9.446 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.776 -0.569 9.419 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.870 -2.344 7.878 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.510 -2.323 7.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.939 -4.264 6.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.328 -4.146 5.680 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.799 -5.111 4.995 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.985 -0.779 10.618 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.289 -0.264 10.999 1.00 0.00 C ATOM 1201 C ASN A 74 -3.195 1.250 11.202 1.00 0.00 C ATOM 1202 O ASN A 74 -3.786 1.792 12.134 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.767 -0.888 12.311 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.774 -2.010 12.050 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -4.481 -3.005 11.408 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -5.973 -1.795 12.584 1.00 0.00 N ATOM 0 H ASN A 74 -2.008 -1.527 9.925 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.994 -0.511 10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.913 -1.282 12.863 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.225 -0.122 12.937 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.715 -2.486 12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.151 -0.940 13.110 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.448 1.888 10.314 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.269 3.329 10.384 1.00 0.00 C ATOM 1215 C GLN A 75 -3.384 4.040 9.616 1.00 0.00 C ATOM 1216 O GLN A 75 -4.243 3.392 9.020 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.892 3.736 9.855 1.00 0.00 C ATOM 1218 CG GLN A 75 0.203 3.426 10.877 1.00 0.00 C ATOM 1219 CD GLN A 75 0.878 4.710 11.365 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.324 5.479 12.133 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.101 4.897 10.877 1.00 0.00 N ATOM 0 H GLN A 75 -1.959 1.434 9.542 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.325 3.633 11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.686 3.207 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.888 4.801 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.227 2.892 11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.947 2.767 10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.505 4.213 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.635 5.725 11.142 1.00 0.00 H new ATOM 1230 N THR A 76 -3.336 5.364 9.656 1.00 0.00 N ATOM 1231 CA THR A 76 -4.332 6.170 8.972 1.00 0.00 C ATOM 1232 C THR A 76 -3.655 7.269 8.150 1.00 0.00 C ATOM 1233 O THR A 76 -2.759 7.953 8.640 1.00 0.00 O ATOM 1234 CB THR A 76 -5.306 6.709 10.021 1.00 0.00 C ATOM 1235 OG1 THR A 76 -6.243 5.651 10.201 1.00 0.00 O ATOM 1236 CG2 THR A 76 -6.151 7.870 9.493 1.00 0.00 C ATOM 0 H THR A 76 -2.622 5.898 10.152 1.00 0.00 H new ATOM 0 HA THR A 76 -4.899 5.575 8.257 1.00 0.00 H new ATOM 0 HB THR A 76 -4.749 7.035 10.899 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.504 5.293 9.327 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.825 8.215 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.497 8.688 9.191 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.734 7.535 8.635 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.110 7.403 6.913 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.560 8.407 6.018 1.00 0.00 C ATOM 1246 C PHE A 77 -4.673 9.150 5.276 1.00 0.00 C ATOM 1247 O PHE A 77 -5.374 8.564 4.453 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.689 7.669 4.999 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.554 6.856 5.623 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.804 7.391 6.623 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.294 5.597 5.178 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.250 6.637 7.203 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.240 4.842 5.758 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.510 5.378 6.758 1.00 0.00 C ATOM 0 H PHE A 77 -4.853 6.833 6.509 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.988 9.140 6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.320 7.001 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.264 8.395 4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.010 8.390 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.889 5.172 4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.845 7.063 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.034 3.842 5.405 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.312 4.804 7.199 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.801 10.430 5.595 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.817 11.259 4.970 1.00 0.00 C ATOM 1266 C ILE A 78 -5.202 12.003 3.782 1.00 0.00 C ATOM 1267 O ILE A 78 -4.161 12.645 3.919 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.466 12.181 6.003 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.448 11.408 6.887 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -7.128 13.383 5.326 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.596 12.077 8.255 1.00 0.00 C ATOM 0 H ILE A 78 -4.218 10.913 6.278 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.624 10.641 4.577 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.683 12.569 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.420 11.355 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.099 10.383 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.582 14.023 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.377 13.949 4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.897 13.034 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.299 11.508 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.627 12.107 8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.968 13.093 8.125 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.871 11.891 2.644 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.403 12.545 1.434 1.00 0.00 C ATOM 1285 C TYR A 79 -6.403 13.603 0.961 1.00 0.00 C ATOM 1286 O TYR A 79 -7.521 13.274 0.567 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.302 11.447 0.374 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.878 10.943 0.135 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.824 11.834 0.111 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.646 9.596 -0.058 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.484 11.359 -0.114 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.305 9.121 -0.282 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.290 10.026 -0.299 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.024 9.578 -0.512 1.00 0.00 O ATOM 0 H TYR A 79 -6.733 11.357 2.534 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.451 13.044 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.928 10.607 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.705 11.825 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.005 12.888 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.470 8.898 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.651 12.046 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.110 8.070 -0.433 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.036 8.605 -0.627 1.00 0.00 H new ATOM 1304 N SER A 80 -5.964 14.852 1.016 1.00 0.00 N ATOM 1305 CA SER A 80 -6.806 15.960 0.599 1.00 0.00 C ATOM 1306 C SER A 80 -5.949 17.059 -0.034 1.00 0.00 C ATOM 1307 O SER A 80 -4.740 17.112 0.185 1.00 0.00 O ATOM 1308 CB SER A 80 -7.602 16.522 1.779 1.00 0.00 C ATOM 1309 OG SER A 80 -7.128 17.804 2.181 1.00 0.00 O ATOM 0 H SER A 80 -5.036 15.121 1.343 1.00 0.00 H new ATOM 0 HA SER A 80 -7.516 15.590 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.654 16.594 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.539 15.832 2.620 1.00 0.00 H new ATOM 0 HG SER A 80 -7.663 18.129 2.935 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.627 17.931 -0.827 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.059 17.798 -1.033 1.00 0.00 C ATOM 1317 C PRO A 81 -8.370 16.639 -1.983 1.00 0.00 C ATOM 1318 O PRO A 81 -7.632 16.398 -2.936 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.506 19.146 -1.574 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.248 19.827 -2.087 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.051 19.064 -1.545 1.00 0.00 C ATOM 0 HA PRO A 81 -8.595 17.555 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.237 19.023 -2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.982 19.741 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.235 19.834 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.217 20.867 -1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.396 18.731 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.450 19.688 -0.883 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.465 15.953 -1.689 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.883 14.826 -2.505 1.00 0.00 C ATOM 1331 C VAL A 82 -11.391 14.912 -2.752 1.00 0.00 C ATOM 1332 O VAL A 82 -12.170 15.057 -1.811 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.460 13.514 -1.841 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.224 12.328 -2.433 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.949 13.304 -1.955 1.00 0.00 C ATOM 0 H VAL A 82 -10.075 16.156 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.392 14.856 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.711 13.579 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.904 11.408 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.293 12.469 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.019 12.260 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.675 12.364 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.665 13.271 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.429 14.127 -1.465 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.756 14.817 -4.022 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.157 14.883 -4.404 1.00 0.00 C ATOM 1347 C HIS A 83 -13.610 13.518 -4.926 1.00 0.00 C ATOM 1348 O HIS A 83 -12.789 12.630 -5.149 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.393 16.011 -5.410 1.00 0.00 C ATOM 1350 CG HIS A 83 -12.845 17.348 -4.974 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -12.776 18.442 -5.818 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -12.341 17.756 -3.774 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -12.252 19.457 -5.147 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -11.983 19.030 -3.880 1.00 0.00 N ATOM 0 H HIS A 83 -11.107 14.695 -4.799 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.766 15.120 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.938 15.736 -6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.464 16.109 -5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.249 17.146 -2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.070 20.448 -5.535 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.574 19.596 -3.136 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.917 13.393 -5.105 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.490 12.152 -5.597 1.00 0.00 C ATOM 1364 C ARG A 84 -15.333 12.059 -7.116 1.00 0.00 C ATOM 1365 O ARG A 84 -15.133 10.973 -7.658 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.974 12.049 -5.237 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.455 10.599 -5.305 1.00 0.00 C ATOM 1368 CD ARG A 84 -16.833 9.762 -4.185 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.476 8.430 -4.132 1.00 0.00 N ATOM 1370 CZ ARG A 84 -18.652 8.187 -3.536 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -19.320 9.184 -2.940 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -19.159 6.947 -3.537 1.00 0.00 N ATOM 0 H ARG A 84 -15.596 14.131 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.955 11.330 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.137 12.443 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.561 12.663 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.542 10.568 -5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.193 10.170 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.762 9.651 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.954 10.272 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.994 7.648 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -18.934 10.128 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.215 8.999 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.650 6.188 -3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -20.054 6.761 -3.084 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.429 13.213 -7.760 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.299 13.275 -9.206 1.00 0.00 C ATOM 1388 C ARG A 85 -13.823 13.277 -9.607 1.00 0.00 C ATOM 1389 O ARG A 85 -13.495 13.121 -10.783 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.974 14.530 -9.765 1.00 0.00 C ATOM 1391 CG ARG A 85 -15.472 15.787 -9.052 1.00 0.00 C ATOM 1392 CD ARG A 85 -16.622 16.520 -8.358 1.00 0.00 C ATOM 1393 NE ARG A 85 -16.112 17.267 -7.186 1.00 0.00 N ATOM 1394 CZ ARG A 85 -16.895 17.861 -6.276 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -18.228 17.800 -6.396 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -16.345 18.518 -5.245 1.00 0.00 N ATOM 0 H ARG A 85 -15.595 14.112 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.790 12.395 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.774 14.609 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -17.055 14.449 -9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.714 15.515 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.994 16.452 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.101 17.206 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.382 15.805 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.102 17.333 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.647 17.301 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.824 18.253 -5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.330 18.566 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.941 18.970 -4.552 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.971 13.454 -8.608 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.537 13.477 -8.842 1.00 0.00 C ATOM 1412 C GLU A 86 -10.975 12.054 -8.834 1.00 0.00 C ATOM 1413 O GLU A 86 -9.788 11.851 -9.083 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.827 14.353 -7.808 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.933 15.834 -8.179 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.567 16.398 -8.578 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.981 15.842 -9.532 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.141 17.371 -7.920 1.00 0.00 O ATOM 0 H GLU A 86 -13.246 13.583 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.356 13.913 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.266 14.189 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.778 14.065 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.636 15.957 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.330 16.397 -7.334 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.854 11.106 -8.546 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.460 9.708 -8.502 1.00 0.00 C ATOM 1427 C PHE A 87 -11.086 9.200 -9.896 1.00 0.00 C ATOM 1428 O PHE A 87 -10.163 8.401 -10.042 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.668 8.919 -7.992 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.749 8.821 -6.467 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -11.995 9.647 -5.692 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.574 7.909 -5.887 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.070 9.556 -4.277 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.648 7.818 -4.472 1.00 0.00 C ATOM 1435 CZ PHE A 87 -12.895 8.644 -3.697 1.00 0.00 C ATOM 0 H PHE A 87 -12.838 11.278 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.591 9.586 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.579 9.388 -8.365 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.634 7.913 -8.409 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.340 10.371 -6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.173 7.254 -6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.472 10.211 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.302 7.093 -4.011 1.00 0.00 H new ATOM 0 HZ PHE A 87 -12.952 8.575 -2.621 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.822 9.686 -10.885 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.578 9.291 -12.262 1.00 0.00 C ATOM 1447 C ARG A 88 -10.470 10.151 -12.873 1.00 0.00 C ATOM 1448 O ARG A 88 -10.546 10.529 -14.041 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.847 9.430 -13.107 1.00 0.00 C ATOM 1450 CG ARG A 88 -13.544 10.764 -12.835 1.00 0.00 C ATOM 1451 CD ARG A 88 -14.425 11.173 -14.016 1.00 0.00 C ATOM 1452 NE ARG A 88 -14.423 12.646 -14.164 1.00 0.00 N ATOM 1453 CZ ARG A 88 -14.719 13.287 -15.303 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -15.043 12.589 -16.400 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -14.691 14.626 -15.345 1.00 0.00 N ATOM 0 H ARG A 88 -12.587 10.349 -10.760 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.270 8.245 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.594 9.357 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.528 8.608 -12.885 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.152 10.684 -11.934 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.798 11.537 -12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.060 10.707 -14.931 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.443 10.816 -13.861 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.181 13.208 -13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.064 11.570 -16.368 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.268 13.077 -17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.444 15.157 -14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.916 15.114 -16.212 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.467 10.435 -12.055 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.345 11.244 -12.501 1.00 0.00 C ATOM 1471 C GLU A 89 -7.070 10.835 -11.761 1.00 0.00 C ATOM 1472 O GLU A 89 -5.976 10.896 -12.321 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.634 12.734 -12.312 1.00 0.00 C ATOM 1474 CG GLU A 89 -9.919 13.140 -13.037 1.00 0.00 C ATOM 1475 CD GLU A 89 -9.985 14.656 -13.228 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.501 15.364 -12.319 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -10.519 15.074 -14.279 1.00 0.00 O ATOM 0 H GLU A 89 -9.408 10.120 -11.087 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.196 11.069 -13.567 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.726 12.958 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.797 13.321 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.965 12.645 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.785 12.804 -12.466 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.252 10.426 -10.514 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.129 10.007 -9.692 1.00 0.00 C ATOM 1486 C ARG A 90 -6.417 8.646 -9.055 1.00 0.00 C ATOM 1487 O ARG A 90 -7.440 8.469 -8.395 1.00 0.00 O ATOM 1488 CB ARG A 90 -5.843 11.028 -8.589 1.00 0.00 C ATOM 1489 CG ARG A 90 -4.840 12.081 -9.064 1.00 0.00 C ATOM 1490 CD ARG A 90 -5.557 13.343 -9.547 1.00 0.00 C ATOM 1491 NE ARG A 90 -5.850 14.229 -8.399 1.00 0.00 N ATOM 1492 CZ ARG A 90 -6.296 15.487 -8.515 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -6.502 16.015 -9.730 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -6.535 16.218 -7.418 1.00 0.00 N ATOM 0 H ARG A 90 -8.160 10.376 -10.053 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.254 9.932 -10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.771 11.514 -8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.451 10.518 -7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.160 12.334 -8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.233 11.672 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.937 13.868 -10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.483 13.073 -10.055 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.703 13.859 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.319 15.459 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.842 16.973 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.377 15.817 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.875 17.176 -7.507 1.00 0.00 H new ATOM 1508 N MET A 91 -5.496 7.719 -9.275 1.00 0.00 N ATOM 1509 CA MET A 91 -5.638 6.379 -8.731 1.00 0.00 C ATOM 1510 C MET A 91 -4.527 6.076 -7.723 1.00 0.00 C ATOM 1511 O MET A 91 -3.439 6.644 -7.804 1.00 0.00 O ATOM 1512 CB MET A 91 -5.587 5.358 -9.869 1.00 0.00 C ATOM 1513 CG MET A 91 -4.909 4.063 -9.414 1.00 0.00 C ATOM 1514 SD MET A 91 -4.891 2.882 -10.752 1.00 0.00 S ATOM 1515 CE MET A 91 -5.203 1.378 -9.842 1.00 0.00 C ATOM 0 H MET A 91 -4.649 7.869 -9.823 1.00 0.00 H new ATOM 0 HA MET A 91 -6.597 6.316 -8.217 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.598 5.142 -10.214 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.045 5.779 -10.716 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.890 4.271 -9.088 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.439 3.647 -8.557 1.00 0.00 H new ATOM 0 HE1 MET A 91 -5.049 0.519 -10.495 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.519 1.317 -8.995 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.231 1.379 -9.479 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.840 5.182 -6.797 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.882 4.797 -5.775 1.00 0.00 C ATOM 1527 C LEU A 92 -3.128 3.547 -6.233 1.00 0.00 C ATOM 1528 O LEU A 92 -3.700 2.680 -6.893 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.579 4.633 -4.422 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.895 5.928 -3.670 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -3.752 6.306 -2.725 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -5.232 7.059 -4.643 1.00 0.00 C ATOM 0 H LEU A 92 -5.744 4.713 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.140 5.583 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.511 4.090 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.951 4.010 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.779 5.759 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.002 7.230 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.602 5.508 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.837 6.450 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.452 7.968 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.383 7.237 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.101 6.780 -5.238 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.857 3.494 -5.866 1.00 0.00 N ATOM 1545 CA GLU A 93 -1.019 2.364 -6.231 1.00 0.00 C ATOM 1546 C GLU A 93 -0.212 1.889 -5.021 1.00 0.00 C ATOM 1547 O GLU A 93 0.878 2.396 -4.759 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.097 2.721 -7.399 1.00 0.00 C ATOM 1549 CG GLU A 93 1.035 1.700 -7.535 1.00 0.00 C ATOM 1550 CD GLU A 93 1.745 1.845 -8.883 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.074 1.590 -9.907 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.941 2.207 -8.859 1.00 0.00 O ATOM 0 H GLU A 93 -1.386 4.215 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.664 1.548 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.673 2.757 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.322 3.716 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.752 1.837 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.633 0.691 -7.438 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.778 0.920 -4.316 1.00 0.00 N ATOM 1560 CA ILE A 94 -0.125 0.371 -3.140 1.00 0.00 C ATOM 1561 C ILE A 94 0.783 -0.787 -3.561 1.00 0.00 C ATOM 1562 O ILE A 94 0.421 -1.581 -4.427 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.161 -0.014 -2.082 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.145 1.132 -1.837 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.482 -0.473 -0.791 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.239 1.154 -2.906 1.00 0.00 C ATOM 0 H ILE A 94 -1.681 0.501 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 94 0.511 1.122 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.738 -0.859 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.597 1.023 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.610 2.082 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.241 -0.741 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.145 -1.341 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.135 0.335 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.925 1.978 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.785 1.287 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.788 0.212 -2.885 1.00 0.00 H new ATOM 1578 N THR A 95 1.945 -0.845 -2.927 1.00 0.00 N ATOM 1579 CA THR A 95 2.908 -1.892 -3.225 1.00 0.00 C ATOM 1580 C THR A 95 3.627 -2.334 -1.949 1.00 0.00 C ATOM 1581 O THR A 95 3.789 -1.545 -1.018 1.00 0.00 O ATOM 1582 CB THR A 95 3.855 -1.370 -4.306 1.00 0.00 C ATOM 1583 OG1 THR A 95 3.954 0.026 -4.037 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.240 -1.437 -5.706 1.00 0.00 C ATOM 0 H THR A 95 2.241 -0.184 -2.209 1.00 0.00 H new ATOM 0 HA THR A 95 2.415 -2.785 -3.609 1.00 0.00 H new ATOM 0 HB THR A 95 4.779 -1.947 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.552 0.444 -4.692 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.954 -1.055 -6.436 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.994 -2.471 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.333 -0.833 -5.734 1.00 0.00 H new ATOM 1592 N LEU A 96 4.040 -3.593 -1.945 1.00 0.00 N ATOM 1593 CA LEU A 96 4.738 -4.149 -0.799 1.00 0.00 C ATOM 1594 C LEU A 96 6.178 -4.479 -1.195 1.00 0.00 C ATOM 1595 O LEU A 96 6.421 -5.016 -2.275 1.00 0.00 O ATOM 1596 CB LEU A 96 3.968 -5.342 -0.229 1.00 0.00 C ATOM 1597 CG LEU A 96 4.361 -5.782 1.183 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.124 -4.657 2.193 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.635 -7.069 1.578 1.00 0.00 C ATOM 0 H LEU A 96 3.904 -4.244 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 96 4.789 -3.417 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.906 -5.097 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.100 -6.189 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 96 5.429 -6.000 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.411 -4.995 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.723 -3.789 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.069 -4.384 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.932 -7.360 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.558 -6.902 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.897 -7.863 0.879 1.00 0.00 H new ATOM 1611 N TRP A 97 7.096 -4.145 -0.300 1.00 0.00 N ATOM 1612 CA TRP A 97 8.506 -4.400 -0.543 1.00 0.00 C ATOM 1613 C TRP A 97 9.152 -4.788 0.788 1.00 0.00 C ATOM 1614 O TRP A 97 8.565 -4.587 1.850 1.00 0.00 O ATOM 1615 CB TRP A 97 9.175 -3.192 -1.203 1.00 0.00 C ATOM 1616 CG TRP A 97 8.263 -2.419 -2.157 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.149 -1.736 -1.862 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.434 -2.277 -3.583 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.591 -1.166 -2.988 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.397 -1.506 -4.068 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.431 -2.784 -4.435 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.257 -1.172 -5.421 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 9.277 -2.441 -5.784 1.00 0.00 C ATOM 1624 CH2 TRP A 97 8.239 -1.666 -6.288 1.00 0.00 C ATOM 0 H TRP A 97 6.891 -3.700 0.595 1.00 0.00 H new ATOM 0 HA TRP A 97 8.634 -5.224 -1.245 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.527 -2.515 -0.425 1.00 0.00 H new ATOM 0 HB3 TRP A 97 10.054 -3.531 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.739 -1.643 -0.867 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.743 -0.600 -3.022 1.00 0.00 H new ATOM 0 HE3 TRP A 97 10.250 -3.390 -4.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.436 -0.566 -5.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 10.017 -2.804 -6.482 1.00 0.00 H new ATOM 0 HH2 TRP A 97 8.190 -1.446 -7.344 1.00 0.00 H new ATOM 1635 N ASP A 98 10.354 -5.338 0.688 1.00 0.00 N ATOM 1636 CA ASP A 98 11.086 -5.757 1.871 1.00 0.00 C ATOM 1637 C ASP A 98 12.422 -5.013 1.928 1.00 0.00 C ATOM 1638 O ASP A 98 13.168 -4.994 0.951 1.00 0.00 O ATOM 1639 CB ASP A 98 11.382 -7.257 1.833 1.00 0.00 C ATOM 1640 CG ASP A 98 12.589 -7.699 2.663 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.886 -6.995 3.652 1.00 0.00 O ATOM 1642 OD2 ASP A 98 13.187 -8.731 2.290 1.00 0.00 O ATOM 0 H ASP A 98 10.839 -5.503 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 98 10.473 -5.532 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.502 -7.795 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.544 -7.554 0.797 1.00 0.00 H new ATOM 1647 N GLN A 99 12.682 -4.417 3.083 1.00 0.00 N ATOM 1648 CA GLN A 99 13.914 -3.674 3.281 1.00 0.00 C ATOM 1649 C GLN A 99 15.071 -4.631 3.575 1.00 0.00 C ATOM 1650 O GLN A 99 15.199 -5.131 4.691 1.00 0.00 O ATOM 1651 CB GLN A 99 13.759 -2.642 4.400 1.00 0.00 C ATOM 1652 CG GLN A 99 14.145 -1.244 3.914 1.00 0.00 C ATOM 1653 CD GLN A 99 15.143 -0.587 4.870 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.342 -0.573 4.642 1.00 0.00 O ATOM 1655 NE2 GLN A 99 14.584 -0.046 5.949 1.00 0.00 N ATOM 0 H GLN A 99 12.060 -4.434 3.891 1.00 0.00 H new ATOM 0 HA GLN A 99 14.140 -3.134 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.728 -2.636 4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.385 -2.922 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.580 -1.309 2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.252 -0.624 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.573 -0.093 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.166 0.416 6.647 1.00 0.00 H new ATOM 1809 N PHE A 109 10.859 -6.438 -4.388 1.00 0.00 N ATOM 1810 CA PHE A 109 9.435 -6.239 -4.597 1.00 0.00 C ATOM 1811 C PHE A 109 8.652 -7.519 -4.294 1.00 0.00 C ATOM 1812 O PHE A 109 8.911 -8.564 -4.889 1.00 0.00 O ATOM 1813 CB PHE A 109 9.244 -5.876 -6.071 1.00 0.00 C ATOM 1814 CG PHE A 109 7.788 -5.911 -6.537 1.00 0.00 C ATOM 1815 CD1 PHE A 109 7.014 -4.797 -6.435 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.267 -7.056 -7.054 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.662 -4.830 -6.868 1.00 0.00 C ATOM 1818 CE2 PHE A 109 5.915 -7.089 -7.487 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.141 -5.975 -7.385 1.00 0.00 C ATOM 0 HA PHE A 109 9.069 -5.455 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.646 -4.878 -6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.827 -6.565 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.428 -3.888 -6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.882 -7.940 -7.135 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.047 -3.946 -6.787 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.501 -7.998 -7.897 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.113 -6.000 -7.715 1.00 0.00 H new ATOM 1829 N LEU A 110 7.712 -7.395 -3.369 1.00 0.00 N ATOM 1830 CA LEU A 110 6.890 -8.528 -2.980 1.00 0.00 C ATOM 1831 C LEU A 110 5.696 -8.637 -3.931 1.00 0.00 C ATOM 1832 O LEU A 110 5.375 -9.725 -4.407 1.00 0.00 O ATOM 1833 CB LEU A 110 6.495 -8.423 -1.506 1.00 0.00 C ATOM 1834 CG LEU A 110 7.611 -8.679 -0.492 1.00 0.00 C ATOM 1835 CD1 LEU A 110 7.094 -8.537 0.941 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.269 -10.039 -0.733 1.00 0.00 C ATOM 0 H LEU A 110 7.501 -6.527 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 110 7.454 -9.456 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.092 -7.426 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.689 -9.131 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 110 8.381 -7.920 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.908 -8.724 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.711 -7.528 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.295 -9.258 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.059 -10.196 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.522 -10.827 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.696 -10.064 -1.736 1.00 0.00 H new ATOM 1848 N GLY A 111 5.072 -7.495 -4.179 1.00 0.00 N ATOM 1849 CA GLY A 111 3.921 -7.449 -5.064 1.00 0.00 C ATOM 1850 C GLY A 111 3.421 -6.014 -5.240 1.00 0.00 C ATOM 1851 O GLY A 111 4.089 -5.066 -4.830 1.00 0.00 O ATOM 0 H GLY A 111 5.342 -6.595 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.188 -7.867 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.121 -8.069 -4.659 1.00 0.00 H new ATOM 1855 N GLU A 112 2.250 -5.899 -5.849 1.00 0.00 N ATOM 1856 CA GLU A 112 1.653 -4.595 -6.083 1.00 0.00 C ATOM 1857 C GLU A 112 0.127 -4.692 -6.029 1.00 0.00 C ATOM 1858 O GLU A 112 -0.451 -5.684 -6.468 1.00 0.00 O ATOM 1859 CB GLU A 112 2.118 -4.011 -7.419 1.00 0.00 C ATOM 1860 CG GLU A 112 1.388 -4.672 -8.590 1.00 0.00 C ATOM 1861 CD GLU A 112 2.259 -4.677 -9.848 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.494 -4.573 -9.683 1.00 0.00 O ATOM 1863 OE2 GLU A 112 1.671 -4.785 -10.945 1.00 0.00 O ATOM 0 H GLU A 112 1.699 -6.688 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 112 1.983 -3.919 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.937 -2.936 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.193 -4.155 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.120 -5.695 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.458 -4.140 -8.790 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.481 -3.648 -5.486 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.929 -3.603 -5.368 1.00 0.00 C ATOM 1872 C ILE A 113 -2.442 -2.284 -5.949 1.00 0.00 C ATOM 1873 O ILE A 113 -2.235 -1.222 -5.365 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.356 -3.844 -3.919 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.734 -5.131 -3.371 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.881 -3.845 -3.790 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.263 -5.442 -1.970 1.00 0.00 C ATOM 0 H ILE A 113 0.002 -2.827 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.384 -4.406 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.981 -3.021 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.958 -5.961 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.649 -5.030 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.158 -4.018 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.274 -2.882 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.298 -4.636 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.805 -6.361 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.016 -4.621 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.345 -5.566 -2.009 1.00 0.00 H new ATOM 1889 N LEU A 114 -3.103 -2.395 -7.093 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.648 -1.225 -7.759 1.00 0.00 C ATOM 1891 C LEU A 114 -5.135 -1.099 -7.423 1.00 0.00 C ATOM 1892 O LEU A 114 -5.890 -2.060 -7.560 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.358 -1.280 -9.260 1.00 0.00 C ATOM 1894 CG LEU A 114 -2.031 -0.665 -9.711 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -2.252 0.707 -10.350 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -1.034 -0.604 -8.552 1.00 0.00 C ATOM 0 H LEU A 114 -3.273 -3.278 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.162 -0.319 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.378 -2.323 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.168 -0.773 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.597 -1.310 -10.475 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.293 1.122 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.902 0.603 -11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.718 1.375 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.099 -0.163 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.447 0.006 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.844 -1.612 -8.182 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.512 0.095 -6.990 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.896 0.360 -6.634 1.00 0.00 C ATOM 1910 C ILE A 115 -7.306 1.729 -7.180 1.00 0.00 C ATOM 1911 O ILE A 115 -6.667 2.737 -6.882 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.098 0.214 -5.125 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -7.010 -1.253 -4.699 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.411 0.861 -4.682 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.129 -1.411 -3.457 1.00 0.00 C ATOM 0 H ILE A 115 -4.883 0.890 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.555 -0.377 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.291 0.745 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.009 -1.636 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.603 -1.849 -5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.530 0.743 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.396 1.922 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.245 0.380 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.083 -2.463 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.124 -1.050 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.552 -0.833 -2.635 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.370 1.721 -7.970 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.872 2.950 -8.560 1.00 0.00 C ATOM 1929 C GLU A 116 -9.896 3.605 -7.631 1.00 0.00 C ATOM 1930 O GLU A 116 -10.866 2.969 -7.222 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.475 2.688 -9.942 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.415 2.165 -10.913 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.397 2.990 -12.201 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.186 2.645 -13.107 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -7.594 3.947 -12.251 1.00 0.00 O ATOM 0 H GLU A 116 -8.898 0.883 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.035 3.637 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.285 1.964 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.909 3.608 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.434 2.201 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.617 1.120 -11.149 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.644 4.869 -7.323 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.531 5.618 -6.449 1.00 0.00 C ATOM 1944 C LEU A 117 -11.955 5.565 -7.008 1.00 0.00 C ATOM 1945 O LEU A 117 -12.918 5.442 -6.253 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.005 7.039 -6.241 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.607 7.154 -5.630 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.328 8.584 -5.163 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.416 6.136 -4.504 1.00 0.00 C ATOM 0 H LEU A 117 -8.838 5.393 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.560 5.166 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.002 7.549 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.705 7.574 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.876 6.920 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.328 8.638 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.395 9.264 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.062 8.871 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.414 6.239 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.155 6.315 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.543 5.128 -4.899 1.00 0.00 H new ATOM 1961 N GLU A 118 -12.042 5.660 -8.327 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.332 5.625 -8.996 1.00 0.00 C ATOM 1963 C GLU A 118 -14.079 4.338 -8.640 1.00 0.00 C ATOM 1964 O GLU A 118 -15.235 4.383 -8.222 1.00 0.00 O ATOM 1965 CB GLU A 118 -13.167 5.762 -10.511 1.00 0.00 C ATOM 1966 CG GLU A 118 -14.365 6.486 -11.128 1.00 0.00 C ATOM 1967 CD GLU A 118 -14.706 7.753 -10.341 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -14.126 8.806 -10.681 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -15.540 7.639 -9.416 1.00 0.00 O ATOM 0 H GLU A 118 -11.241 5.761 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.923 6.473 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.252 6.311 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.063 4.774 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.144 6.745 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.228 5.820 -11.144 1.00 0.00 H new ATOM 1976 N THR A 119 -13.388 3.222 -8.818 1.00 0.00 N ATOM 1977 CA THR A 119 -13.972 1.925 -8.521 1.00 0.00 C ATOM 1978 C THR A 119 -13.358 1.343 -7.246 1.00 0.00 C ATOM 1979 O THR A 119 -13.235 0.126 -7.112 1.00 0.00 O ATOM 1980 CB THR A 119 -13.787 1.030 -9.748 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.382 1.057 -9.988 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.392 1.640 -11.014 1.00 0.00 C ATOM 0 H THR A 119 -12.429 3.189 -9.164 1.00 0.00 H new ATOM 0 HA THR A 119 -15.040 2.009 -8.321 1.00 0.00 H new ATOM 0 HB THR A 119 -14.242 0.058 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.172 0.500 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.233 0.965 -11.855 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.461 1.793 -10.869 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.913 2.597 -11.221 1.00 0.00 H new ATOM 1990 N ALA A 120 -12.989 2.239 -6.343 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.391 1.830 -5.084 1.00 0.00 C ATOM 1992 C ALA A 120 -13.488 1.334 -4.140 1.00 0.00 C ATOM 1993 O ALA A 120 -14.654 1.695 -4.294 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.596 2.996 -4.493 1.00 0.00 C ATOM 0 H ALA A 120 -13.093 3.247 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.694 1.007 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.147 2.689 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.810 3.291 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.263 3.841 -4.320 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.076 0.514 -3.184 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.010 -0.035 -2.215 1.00 0.00 C ATOM 2002 C LEU A 121 -13.922 0.769 -0.917 1.00 0.00 C ATOM 2003 O LEU A 121 -13.122 0.451 -0.038 1.00 0.00 O ATOM 2004 CB LEU A 121 -13.768 -1.534 -2.028 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.137 -2.427 -3.214 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.781 -3.888 -2.933 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -15.611 -2.258 -3.589 1.00 0.00 C ATOM 0 H LEU A 121 -12.108 0.217 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.034 0.056 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -12.713 -1.686 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -14.334 -1.867 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.547 -2.112 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.054 -4.501 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.709 -3.973 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -14.326 -4.233 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -15.848 -2.904 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.236 -2.530 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.800 -1.220 -3.861 1.00 0.00 H new ATOM 2019 N LEU A 122 -14.756 1.796 -0.836 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.783 2.648 0.340 1.00 0.00 C ATOM 2021 C LEU A 122 -16.029 2.327 1.169 1.00 0.00 C ATOM 2022 O LEU A 122 -17.152 2.486 0.695 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.675 4.120 -0.062 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.617 4.451 -1.117 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -14.115 5.542 -2.068 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.287 4.826 -0.460 1.00 0.00 C ATOM 0 H LEU A 122 -15.418 2.057 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.918 2.450 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.646 4.447 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.463 4.706 0.832 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.439 3.558 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -13.345 5.759 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -15.018 5.200 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -14.338 6.446 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.552 5.057 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.429 5.698 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.930 3.990 0.142 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.787 1.879 2.392 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.875 1.534 3.292 1.00 0.00 C ATOM 2040 C ASP A 123 -16.300 1.145 4.655 1.00 0.00 C ATOM 2041 O ASP A 123 -16.822 0.251 5.320 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.674 0.344 2.758 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.191 0.455 2.926 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.608 1.233 3.812 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.899 -0.239 2.166 1.00 0.00 O ATOM 0 H ASP A 123 -14.853 1.747 2.781 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.531 2.400 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.449 0.221 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.333 -0.559 3.263 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.233 1.834 5.030 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.581 1.571 6.302 1.00 0.00 C ATOM 2052 C ASP A 124 -14.575 0.064 6.565 1.00 0.00 C ATOM 2053 O ASP A 124 -14.628 -0.369 7.715 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.327 2.249 7.453 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.787 3.623 7.854 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.668 3.947 7.401 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -15.505 4.319 8.604 1.00 0.00 O ATOM 0 H ASP A 124 -14.803 2.574 4.475 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.566 1.964 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -16.375 2.355 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.293 1.594 8.324 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.510 -0.693 5.480 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.496 -2.143 5.579 1.00 0.00 C ATOM 2064 C GLU A 125 -13.156 -2.696 5.089 1.00 0.00 C ATOM 2065 O GLU A 125 -12.696 -2.345 4.004 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.661 -2.757 4.800 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.916 -2.848 5.671 1.00 0.00 C ATOM 2068 CD GLU A 125 -18.137 -2.298 4.931 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -18.234 -2.570 3.715 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -18.947 -1.620 5.599 1.00 0.00 O ATOM 0 H GLU A 125 -14.466 -0.330 4.528 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.618 -2.417 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.870 -2.154 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.385 -3.751 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.094 -3.886 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.764 -2.289 6.594 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.553 -3.574 5.934 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.275 -4.179 5.597 1.00 0.00 C ATOM 2079 C PRO A 126 -11.446 -5.266 4.534 1.00 0.00 C ATOM 2080 O PRO A 126 -12.264 -6.171 4.692 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.735 -4.715 6.913 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.930 -4.805 7.848 1.00 0.00 C ATOM 2083 CD PRO A 126 -13.069 -4.013 7.227 1.00 0.00 C ATOM 0 HA PRO A 126 -10.577 -3.469 5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.272 -5.692 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.970 -4.054 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.223 -5.845 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.677 -4.404 8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.961 -4.628 7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.347 -3.164 7.851 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.661 -5.140 3.474 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.715 -6.101 2.385 1.00 0.00 C ATOM 2093 C HIS A 127 -9.316 -6.665 2.128 1.00 0.00 C ATOM 2094 O HIS A 127 -8.327 -5.938 2.197 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.339 -5.473 1.137 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.595 -4.680 1.411 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -12.625 -3.296 1.402 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.863 -5.091 1.700 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -13.860 -2.903 1.676 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.626 -4.017 1.861 1.00 0.00 N ATOM 0 H HIS A 127 -9.984 -4.388 3.346 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.360 -6.935 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -10.605 -4.820 0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -11.569 -6.263 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -14.191 -6.117 1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -14.201 -1.880 1.741 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.621 -4.023 2.086 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.279 -7.958 1.838 1.00 0.00 N ATOM 2109 CA TRP A 128 -8.018 -8.628 1.571 1.00 0.00 C ATOM 2110 C TRP A 128 -7.767 -8.581 0.062 1.00 0.00 C ATOM 2111 O TRP A 128 -8.408 -9.303 -0.700 1.00 0.00 O ATOM 2112 CB TRP A 128 -8.024 -10.052 2.131 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.900 -10.122 3.655 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.871 -10.338 4.552 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.691 -9.965 4.427 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.378 -10.332 5.842 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -7.010 -10.099 5.763 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.371 -9.720 4.010 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -6.065 -10.002 6.790 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.437 -9.626 5.049 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.743 -9.757 6.399 1.00 0.00 C ATOM 0 H TRP A 128 -10.102 -8.558 1.782 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.197 -8.119 2.077 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.947 -10.546 1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.202 -10.611 1.684 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.909 -10.497 4.298 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.918 -10.473 6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.099 -9.613 2.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.340 -10.110 7.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.407 -9.439 4.783 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.965 -9.670 7.143 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.834 -7.723 -0.323 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.491 -7.571 -1.727 1.00 0.00 C ATOM 2134 C TYR A 129 -5.286 -8.439 -2.094 1.00 0.00 C ATOM 2135 O TYR A 129 -4.180 -8.209 -1.608 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.120 -6.099 -1.914 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.241 -5.123 -1.549 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.462 -5.204 -2.189 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.031 -4.163 -0.580 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.516 -4.286 -1.845 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.086 -3.245 -0.236 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.277 -3.352 -0.886 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.273 -2.485 -0.561 1.00 0.00 O ATOM 0 H TYR A 129 -6.305 -7.126 0.313 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.324 -7.876 -2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.245 -5.875 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.835 -5.936 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.626 -5.956 -2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.076 -4.100 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.476 -4.338 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.936 -2.489 0.520 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.941 -2.946 -0.012 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.541 -9.419 -2.948 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.490 -10.323 -3.385 1.00 0.00 C ATOM 2155 C LYS A 130 -3.405 -9.524 -4.109 1.00 0.00 C ATOM 2156 O LYS A 130 -3.708 -8.601 -4.864 1.00 0.00 O ATOM 2157 CB LYS A 130 -5.077 -11.462 -4.222 1.00 0.00 C ATOM 2158 CG LYS A 130 -5.219 -12.737 -3.389 1.00 0.00 C ATOM 2159 CD LYS A 130 -5.945 -13.829 -4.177 1.00 0.00 C ATOM 2160 CE LYS A 130 -7.159 -14.347 -3.404 1.00 0.00 C ATOM 2161 NZ LYS A 130 -7.984 -15.226 -4.264 1.00 0.00 N ATOM 0 H LYS A 130 -6.460 -9.607 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.016 -10.800 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.051 -11.167 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.435 -11.655 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.233 -13.093 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.768 -12.518 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.265 -13.435 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.260 -14.652 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.829 -14.897 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.758 -13.508 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.804 -15.569 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.314 -14.691 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.414 -16.036 -4.580 1.00 0.00 H new ATOM 2175 N LEU A 131 -2.163 -9.908 -3.855 1.00 0.00 N ATOM 2176 CA LEU A 131 -1.031 -9.239 -4.473 1.00 0.00 C ATOM 2177 C LEU A 131 -0.739 -9.887 -5.828 1.00 0.00 C ATOM 2178 O LEU A 131 -0.878 -11.099 -5.984 1.00 0.00 O ATOM 2179 CB LEU A 131 0.170 -9.230 -3.525 1.00 0.00 C ATOM 2180 CG LEU A 131 0.083 -8.264 -2.341 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.244 -9.007 -1.014 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.094 -7.125 -2.487 1.00 0.00 C ATOM 0 H LEU A 131 -1.915 -10.674 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.266 -8.192 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.308 -10.239 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.062 -8.986 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.910 -7.815 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.178 -8.297 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.546 -9.752 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.215 -9.502 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.011 -6.453 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.102 -7.537 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.890 -6.573 -3.404 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.339 -9.049 -6.774 1.00 0.00 N ATOM 2195 CA GLN A 132 -0.026 -9.525 -8.111 1.00 0.00 C ATOM 2196 C GLN A 132 1.429 -9.206 -8.461 1.00 0.00 C ATOM 2197 O GLN A 132 1.808 -8.039 -8.549 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.983 -8.926 -9.144 1.00 0.00 C ATOM 2199 CG GLN A 132 -0.848 -7.403 -9.198 1.00 0.00 C ATOM 2200 CD GLN A 132 -2.021 -6.776 -9.954 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.757 -7.436 -10.669 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -2.153 -5.467 -9.758 1.00 0.00 N ATOM 0 H GLN A 132 -0.225 -8.044 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 132 -0.155 -10.607 -8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.774 -9.348 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.009 -9.195 -8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.807 -7.002 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.089 -7.134 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -1.502 -4.975 -9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.905 -4.956 -10.219 1.00 0.00 H new