USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 453 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 92 THR OG1 : rot 80:sc= -0.116 USER MOD Set 1.2: A 138 LYS NZ :NH3+ -153:sc= -6.14! (180deg=-7.57!) USER MOD Set 2.1: A 102 MET CE :methyl 143:sc= -0.835 (180deg=-1.61) USER MOD Set 2.2: A 118 GLN : amide:sc= 0 X(o=-0.84,f=-1) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot -153:sc= -0.179 USER MOD Single : A 97 MET CE :methyl 164:sc= 0 (180deg=-0.00342) USER MOD Single : A 113 LYS NZ :NH3+ -167:sc=-0.00773 (180deg=-0.141) USER MOD Single : A 114 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-3.6!) USER MOD Single : A 120 SER OG : rot 79:sc= 0.572 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -162:sc= -0.505 (180deg=-1.18) USER MOD Single : A 123 MET CE :methyl -120:sc=-0.00525 (180deg=-0.434) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 134 MET CE :methyl -128:sc= -0.153 (180deg=-1.5) USER MOD Single : A 135 CYS SG : rot 64:sc= 0.267 USER MOD Single : A 136 THR OG1 : rot -55:sc= 2.23 USER MOD Single : A 141 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.6!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.124 0.251 12.441 1.00 0.00 N ATOM 109 CA TRP A 87 10.874 0.094 11.013 1.00 0.00 C ATOM 110 C TRP A 87 11.673 1.111 10.206 1.00 0.00 C ATOM 111 O TRP A 87 11.644 2.308 10.494 1.00 0.00 O ATOM 112 CB TRP A 87 9.382 0.246 10.715 1.00 0.00 C ATOM 113 CG TRP A 87 8.568 -0.940 11.137 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.430 -1.431 12.404 1.00 0.00 C ATOM 115 CD2 TRP A 87 7.783 -1.786 10.289 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.606 -2.530 12.395 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.195 -2.768 11.110 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.517 -1.808 8.918 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.360 -3.760 10.602 1.00 0.00 C ATOM 120 CZ3 TRP A 87 6.689 -2.793 8.415 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.118 -3.757 9.256 1.00 0.00 C ATOM 0 HA TRP A 87 11.195 -0.906 10.721 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.006 1.135 11.222 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.247 0.408 9.646 1.00 0.00 H new ATOM 0 HD1 TRP A 87 8.900 -1.016 13.284 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.343 -3.080 13.213 1.00 0.00 H new ATOM 0 HE3 TRP A 87 7.951 -1.068 8.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.919 -4.505 11.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.478 -2.820 7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.474 -4.513 8.833 1.00 0.00 H new ATOM 132 N VAL A 88 12.385 0.629 9.192 1.00 0.00 N ATOM 133 CA VAL A 88 13.191 1.497 8.342 1.00 0.00 C ATOM 134 C VAL A 88 12.380 2.014 7.159 1.00 0.00 C ATOM 135 O VAL A 88 11.369 1.422 6.782 1.00 0.00 O ATOM 136 CB VAL A 88 14.439 0.765 7.814 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.277 0.237 8.969 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.037 -0.363 6.876 1.00 0.00 C ATOM 0 H VAL A 88 12.420 -0.359 8.939 1.00 0.00 H new ATOM 0 HA VAL A 88 13.507 2.339 8.958 1.00 0.00 H new ATOM 0 HB VAL A 88 15.046 1.475 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.154 -0.277 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.595 1.069 9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.683 -0.459 9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.931 -0.870 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.409 -1.075 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.483 0.046 6.031 1.00 0.00 H new ATOM 148 N GLN A 89 12.830 3.122 6.579 1.00 0.00 N ATOM 149 CA GLN A 89 12.145 3.719 5.438 1.00 0.00 C ATOM 150 C GLN A 89 11.765 2.655 4.414 1.00 0.00 C ATOM 151 O GLN A 89 10.627 2.607 3.947 1.00 0.00 O ATOM 152 CB GLN A 89 13.030 4.781 4.784 1.00 0.00 C ATOM 153 CG GLN A 89 14.356 4.238 4.275 1.00 0.00 C ATOM 154 CD GLN A 89 15.222 5.311 3.643 1.00 0.00 C ATOM 155 OE1 GLN A 89 15.828 6.125 4.339 1.00 0.00 O ATOM 156 NE2 GLN A 89 15.284 5.317 2.317 1.00 0.00 N ATOM 0 H GLN A 89 13.665 3.624 6.880 1.00 0.00 H new ATOM 0 HA GLN A 89 11.232 4.191 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.488 5.232 3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.225 5.575 5.505 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.898 3.779 5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.166 3.452 3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.765 4.623 1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.851 6.016 1.836 1.00 0.00 H new ATOM 165 N ASP A 90 12.725 1.804 4.069 1.00 0.00 N ATOM 166 CA ASP A 90 12.491 0.739 3.100 1.00 0.00 C ATOM 167 C ASP A 90 11.237 -0.053 3.455 1.00 0.00 C ATOM 168 O ASP A 90 10.235 0.001 2.742 1.00 0.00 O ATOM 169 CB ASP A 90 13.699 -0.197 3.036 1.00 0.00 C ATOM 170 CG ASP A 90 15.004 0.554 2.858 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.437 1.228 3.816 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.593 0.467 1.760 1.00 0.00 O ATOM 0 H ASP A 90 13.673 1.831 4.446 1.00 0.00 H new ATOM 0 HA ASP A 90 12.345 1.198 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.745 -0.789 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.570 -0.896 2.210 1.00 0.00 H new ATOM 177 N GLU A 91 11.300 -0.788 4.561 1.00 0.00 N ATOM 178 CA GLU A 91 10.169 -1.592 5.009 1.00 0.00 C ATOM 179 C GLU A 91 8.915 -0.735 5.153 1.00 0.00 C ATOM 180 O GLU A 91 7.900 -0.985 4.503 1.00 0.00 O ATOM 181 CB GLU A 91 10.493 -2.270 6.342 1.00 0.00 C ATOM 182 CG GLU A 91 11.648 -3.255 6.259 1.00 0.00 C ATOM 183 CD GLU A 91 12.261 -3.550 7.615 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.542 -3.431 8.629 1.00 0.00 O ATOM 185 OE2 GLU A 91 13.458 -3.900 7.661 1.00 0.00 O ATOM 0 H GLU A 91 12.122 -0.843 5.163 1.00 0.00 H new ATOM 0 HA GLU A 91 9.980 -2.358 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.731 -1.505 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.606 -2.793 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.296 -4.185 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.415 -2.855 5.597 1.00 0.00 H new ATOM 192 N THR A 92 8.993 0.278 6.011 1.00 0.00 N ATOM 193 CA THR A 92 7.865 1.171 6.243 1.00 0.00 C ATOM 194 C THR A 92 7.149 1.502 4.938 1.00 0.00 C ATOM 195 O THR A 92 5.940 1.307 4.816 1.00 0.00 O ATOM 196 CB THR A 92 8.316 2.482 6.915 1.00 0.00 C ATOM 197 OG1 THR A 92 8.903 2.201 8.191 1.00 0.00 O ATOM 198 CG2 THR A 92 7.141 3.432 7.089 1.00 0.00 C ATOM 0 H THR A 92 9.826 0.500 6.556 1.00 0.00 H new ATOM 0 HA THR A 92 7.178 0.648 6.908 1.00 0.00 H new ATOM 0 HB THR A 92 9.056 2.959 6.272 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.827 1.900 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.483 4.351 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.715 3.666 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.382 2.961 7.713 1.00 0.00 H new ATOM 206 N ARG A 93 7.903 2.004 3.966 1.00 0.00 N ATOM 207 CA ARG A 93 7.339 2.363 2.670 1.00 0.00 C ATOM 208 C ARG A 93 6.578 1.187 2.064 1.00 0.00 C ATOM 209 O ARG A 93 5.437 1.334 1.625 1.00 0.00 O ATOM 210 CB ARG A 93 8.446 2.814 1.715 1.00 0.00 C ATOM 211 CG ARG A 93 7.979 3.813 0.669 1.00 0.00 C ATOM 212 CD ARG A 93 8.056 5.240 1.189 1.00 0.00 C ATOM 213 NE ARG A 93 9.425 5.632 1.511 1.00 0.00 N ATOM 214 CZ ARG A 93 9.838 6.894 1.549 1.00 0.00 C ATOM 215 NH1 ARG A 93 8.991 7.881 1.286 1.00 0.00 N ATOM 216 NH2 ARG A 93 11.100 7.172 1.851 1.00 0.00 N ATOM 0 H ARG A 93 8.906 2.171 4.051 1.00 0.00 H new ATOM 0 HA ARG A 93 6.641 3.187 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.255 3.259 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.858 1.940 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.593 3.717 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.953 3.585 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.651 5.921 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.433 5.336 2.078 1.00 0.00 H new ATOM 0 HE ARG A 93 10.101 4.897 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.020 7.672 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.311 8.849 1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.754 6.416 2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.416 8.141 1.880 1.00 0.00 H new ATOM 230 N SER A 94 7.218 0.022 2.043 1.00 0.00 N ATOM 231 CA SER A 94 6.603 -1.177 1.487 1.00 0.00 C ATOM 232 C SER A 94 5.291 -1.495 2.198 1.00 0.00 C ATOM 233 O SER A 94 4.321 -1.927 1.573 1.00 0.00 O ATOM 234 CB SER A 94 7.559 -2.366 1.601 1.00 0.00 C ATOM 235 OG SER A 94 8.363 -2.488 0.441 1.00 0.00 O ATOM 0 H SER A 94 8.162 -0.117 2.404 1.00 0.00 H new ATOM 0 HA SER A 94 6.390 -0.991 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.196 -2.242 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.988 -3.283 1.749 1.00 0.00 H new ATOM 0 HG SER A 94 8.632 -3.423 0.326 1.00 0.00 H new ATOM 241 N LEU A 95 5.268 -1.277 3.508 1.00 0.00 N ATOM 242 CA LEU A 95 4.076 -1.540 4.307 1.00 0.00 C ATOM 243 C LEU A 95 2.937 -0.606 3.908 1.00 0.00 C ATOM 244 O LEU A 95 1.798 -1.040 3.734 1.00 0.00 O ATOM 245 CB LEU A 95 4.388 -1.375 5.795 1.00 0.00 C ATOM 246 CG LEU A 95 3.200 -1.504 6.748 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.487 -2.831 6.536 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.658 -1.368 8.193 1.00 0.00 C ATOM 0 H LEU A 95 6.061 -0.919 4.040 1.00 0.00 H new ATOM 0 HA LEU A 95 3.763 -2.567 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.134 -2.119 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.843 -0.396 5.944 1.00 0.00 H new ATOM 0 HG LEU A 95 2.497 -0.699 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.644 -2.905 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.125 -2.889 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.181 -3.651 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.799 -1.462 8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.381 -2.151 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.123 -0.393 8.337 1.00 0.00 H new ATOM 260 N ILE A 96 3.254 0.676 3.762 1.00 0.00 N ATOM 261 CA ILE A 96 2.258 1.669 3.380 1.00 0.00 C ATOM 262 C ILE A 96 1.722 1.400 1.979 1.00 0.00 C ATOM 263 O ILE A 96 0.515 1.456 1.744 1.00 0.00 O ATOM 264 CB ILE A 96 2.837 3.095 3.431 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.253 3.450 4.860 1.00 0.00 C ATOM 266 CG2 ILE A 96 1.822 4.099 2.904 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.169 4.651 4.942 1.00 0.00 C ATOM 0 H ILE A 96 4.192 1.051 3.902 1.00 0.00 H new ATOM 0 HA ILE A 96 1.443 1.590 4.099 1.00 0.00 H new ATOM 0 HB ILE A 96 3.721 3.134 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.359 3.644 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.752 2.591 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.246 5.102 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.571 3.855 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.921 4.060 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.423 4.844 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.080 4.453 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.665 5.522 4.524 1.00 0.00 H new ATOM 279 N MET A 97 2.627 1.106 1.051 1.00 0.00 N ATOM 280 CA MET A 97 2.244 0.824 -0.328 1.00 0.00 C ATOM 281 C MET A 97 1.257 -0.337 -0.391 1.00 0.00 C ATOM 282 O MET A 97 0.139 -0.188 -0.887 1.00 0.00 O ATOM 283 CB MET A 97 3.482 0.503 -1.168 1.00 0.00 C ATOM 284 CG MET A 97 3.168 0.219 -2.628 1.00 0.00 C ATOM 285 SD MET A 97 3.061 1.720 -3.620 1.00 0.00 S ATOM 286 CE MET A 97 1.287 1.868 -3.820 1.00 0.00 C ATOM 0 H MET A 97 3.630 1.057 1.229 1.00 0.00 H new ATOM 0 HA MET A 97 1.759 1.712 -0.733 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.177 1.340 -1.111 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.988 -0.362 -0.739 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.939 -0.431 -3.042 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.225 -0.323 -2.694 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.042 2.875 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.943 1.145 -4.559 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.796 1.674 -2.866 1.00 0.00 H new ATOM 296 N PHE A 98 1.676 -1.493 0.112 1.00 0.00 N ATOM 297 CA PHE A 98 0.829 -2.679 0.111 1.00 0.00 C ATOM 298 C PHE A 98 -0.557 -2.359 0.663 1.00 0.00 C ATOM 299 O PHE A 98 -1.571 -2.774 0.103 1.00 0.00 O ATOM 300 CB PHE A 98 1.474 -3.793 0.938 1.00 0.00 C ATOM 301 CG PHE A 98 2.622 -4.468 0.244 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.454 -5.036 -1.009 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.870 -4.533 0.843 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.509 -5.657 -1.650 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.928 -5.154 0.206 1.00 0.00 C ATOM 306 CZ PHE A 98 4.748 -5.715 -1.042 1.00 0.00 C ATOM 0 H PHE A 98 2.598 -1.634 0.526 1.00 0.00 H new ATOM 0 HA PHE A 98 0.721 -3.016 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.825 -3.377 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.717 -4.539 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.488 -4.993 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.018 -4.094 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.365 -6.097 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.895 -5.200 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.574 -6.198 -1.542 1.00 0.00 H new ATOM 316 N ARG A 99 -0.592 -1.617 1.765 1.00 0.00 N ATOM 317 CA ARG A 99 -1.852 -1.241 2.394 1.00 0.00 C ATOM 318 C ARG A 99 -2.713 -0.419 1.439 1.00 0.00 C ATOM 319 O ARG A 99 -3.907 -0.676 1.287 1.00 0.00 O ATOM 320 CB ARG A 99 -1.590 -0.446 3.675 1.00 0.00 C ATOM 321 CG ARG A 99 -1.397 -1.318 4.905 1.00 0.00 C ATOM 322 CD ARG A 99 -2.717 -1.900 5.387 1.00 0.00 C ATOM 323 NE ARG A 99 -3.654 -0.860 5.804 1.00 0.00 N ATOM 324 CZ ARG A 99 -4.513 -0.272 4.980 1.00 0.00 C ATOM 325 NH1 ARG A 99 -4.554 -0.619 3.701 1.00 0.00 N ATOM 326 NH2 ARG A 99 -5.334 0.666 5.434 1.00 0.00 N ATOM 0 H ARG A 99 0.238 -1.264 2.241 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.390 -2.155 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.702 0.171 3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.425 0.232 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.704 -2.127 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.945 -0.729 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.165 -2.493 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.532 -2.577 6.221 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.648 -0.570 6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.924 -1.340 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.215 -0.165 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.306 0.936 6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.993 1.117 4.800 1.00 0.00 H new ATOM 340 N ARG A 100 -2.098 0.570 0.799 1.00 0.00 N ATOM 341 CA ARG A 100 -2.808 1.430 -0.139 1.00 0.00 C ATOM 342 C ARG A 100 -3.406 0.613 -1.281 1.00 0.00 C ATOM 343 O ARG A 100 -4.545 0.838 -1.688 1.00 0.00 O ATOM 344 CB ARG A 100 -1.865 2.496 -0.701 1.00 0.00 C ATOM 345 CG ARG A 100 -1.369 3.482 0.343 1.00 0.00 C ATOM 346 CD ARG A 100 -0.096 4.180 -0.109 1.00 0.00 C ATOM 347 NE ARG A 100 -0.289 4.918 -1.354 1.00 0.00 N ATOM 348 CZ ARG A 100 0.581 5.805 -1.825 1.00 0.00 C ATOM 349 NH1 ARG A 100 1.698 6.061 -1.159 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.334 6.436 -2.966 1.00 0.00 N ATOM 0 H ARG A 100 -1.110 0.795 0.913 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.620 1.919 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.007 2.004 -1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.379 3.044 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.142 4.225 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.184 2.958 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.238 4.865 0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.694 3.441 -0.244 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.138 4.743 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.892 5.577 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.364 6.742 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.524 6.240 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.002 7.117 -3.327 1.00 0.00 H new ATOM 364 N GLY A 101 -2.630 -0.337 -1.792 1.00 0.00 N ATOM 365 CA GLY A 101 -3.100 -1.173 -2.882 1.00 0.00 C ATOM 366 C GLY A 101 -4.178 -2.144 -2.444 1.00 0.00 C ATOM 367 O GLY A 101 -5.123 -2.409 -3.186 1.00 0.00 O ATOM 0 H GLY A 101 -1.684 -0.543 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.488 -0.540 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.260 -1.730 -3.297 1.00 0.00 H new ATOM 371 N MET A 102 -4.036 -2.677 -1.234 1.00 0.00 N ATOM 372 CA MET A 102 -5.006 -3.625 -0.699 1.00 0.00 C ATOM 373 C MET A 102 -6.188 -2.896 -0.067 1.00 0.00 C ATOM 374 O MET A 102 -7.209 -3.506 0.249 1.00 0.00 O ATOM 375 CB MET A 102 -4.343 -4.538 0.334 1.00 0.00 C ATOM 376 CG MET A 102 -3.677 -5.761 -0.274 1.00 0.00 C ATOM 377 SD MET A 102 -3.139 -6.950 0.971 1.00 0.00 S ATOM 378 CE MET A 102 -4.639 -7.900 1.202 1.00 0.00 C ATOM 0 H MET A 102 -3.259 -2.468 -0.607 1.00 0.00 H new ATOM 0 HA MET A 102 -5.376 -4.232 -1.525 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.598 -3.966 0.887 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.094 -4.864 1.054 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.373 -6.247 -0.958 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.817 -5.446 -0.865 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.385 -8.949 1.358 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.178 -7.524 2.072 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.269 -7.807 0.317 1.00 0.00 H new ATOM 388 N ASP A 103 -6.041 -1.588 0.115 1.00 0.00 N ATOM 389 CA ASP A 103 -7.096 -0.776 0.708 1.00 0.00 C ATOM 390 C ASP A 103 -8.468 -1.214 0.205 1.00 0.00 C ATOM 391 O ASP A 103 -9.373 -1.485 0.993 1.00 0.00 O ATOM 392 CB ASP A 103 -6.871 0.703 0.389 1.00 0.00 C ATOM 393 CG ASP A 103 -7.837 1.608 1.128 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.301 1.216 2.219 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.130 2.709 0.615 1.00 0.00 O ATOM 0 H ASP A 103 -5.201 -1.068 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.064 -0.916 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.849 0.977 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.979 0.861 -0.684 1.00 0.00 H new ATOM 400 N GLY A 104 -8.615 -1.281 -1.115 1.00 0.00 N ATOM 401 CA GLY A 104 -9.879 -1.686 -1.701 1.00 0.00 C ATOM 402 C GLY A 104 -10.549 -2.800 -0.922 1.00 0.00 C ATOM 403 O GLY A 104 -11.713 -2.685 -0.535 1.00 0.00 O ATOM 0 H GLY A 104 -7.881 -1.062 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.547 -0.826 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.712 -2.014 -2.727 1.00 0.00 H new ATOM 407 N LEU A 105 -9.815 -3.883 -0.691 1.00 0.00 N ATOM 408 CA LEU A 105 -10.345 -5.025 0.047 1.00 0.00 C ATOM 409 C LEU A 105 -10.736 -4.622 1.465 1.00 0.00 C ATOM 410 O LEU A 105 -11.795 -5.007 1.962 1.00 0.00 O ATOM 411 CB LEU A 105 -9.313 -6.153 0.090 1.00 0.00 C ATOM 412 CG LEU A 105 -8.922 -6.757 -1.259 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.629 -7.547 -1.136 1.00 0.00 C ATOM 414 CD2 LEU A 105 -10.040 -7.641 -1.792 1.00 0.00 C ATOM 0 H LEU A 105 -8.851 -3.995 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.238 -5.378 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.411 -5.775 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.702 -6.950 0.723 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.761 -5.943 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.367 -7.969 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.830 -6.887 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.762 -8.352 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.744 -8.062 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.233 -8.448 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.945 -7.046 -1.920 1.00 0.00 H new ATOM 426 N PHE A 106 -9.874 -3.844 2.112 1.00 0.00 N ATOM 427 CA PHE A 106 -10.129 -3.388 3.474 1.00 0.00 C ATOM 428 C PHE A 106 -11.468 -2.661 3.562 1.00 0.00 C ATOM 429 O PHE A 106 -12.204 -2.809 4.536 1.00 0.00 O ATOM 430 CB PHE A 106 -9.003 -2.466 3.945 1.00 0.00 C ATOM 431 CG PHE A 106 -7.786 -3.204 4.425 1.00 0.00 C ATOM 432 CD1 PHE A 106 -6.862 -3.704 3.522 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.566 -3.397 5.779 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.740 -4.382 3.960 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.446 -4.075 6.223 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.533 -4.569 5.313 1.00 0.00 C ATOM 0 H PHE A 106 -8.993 -3.516 1.715 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.167 -4.263 4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.718 -1.806 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.375 -1.833 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.020 -3.562 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.277 -3.014 6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.026 -4.765 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.285 -4.218 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.659 -5.101 5.658 1.00 0.00 H new ATOM 532 N LYS A 113 -8.655 -9.369 8.763 1.00 0.00 N ATOM 533 CA LYS A 113 -7.828 -10.473 9.235 1.00 0.00 C ATOM 534 C LYS A 113 -7.025 -11.080 8.089 1.00 0.00 C ATOM 535 O LYS A 113 -5.795 -11.018 8.078 1.00 0.00 O ATOM 536 CB LYS A 113 -8.701 -11.549 9.885 1.00 0.00 C ATOM 537 CG LYS A 113 -9.210 -11.166 11.264 1.00 0.00 C ATOM 538 CD LYS A 113 -8.168 -11.434 12.338 1.00 0.00 C ATOM 539 CE LYS A 113 -8.562 -10.806 13.666 1.00 0.00 C ATOM 540 NZ LYS A 113 -8.449 -9.322 13.633 1.00 0.00 N ATOM 0 HA LYS A 113 -7.131 -10.081 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.553 -11.755 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.128 -12.473 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.480 -10.110 11.273 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -10.117 -11.728 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.044 -12.509 12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.204 -11.037 12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.586 -11.087 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.925 -11.201 14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.509 -8.948 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.536 -9.053 13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.223 -8.928 13.061 1.00 0.00 H new ATOM 554 N HIS A 114 -7.728 -11.665 7.124 1.00 0.00 N ATOM 555 CA HIS A 114 -7.079 -12.281 5.972 1.00 0.00 C ATOM 556 C HIS A 114 -6.220 -11.266 5.225 1.00 0.00 C ATOM 557 O HIS A 114 -5.174 -11.609 4.672 1.00 0.00 O ATOM 558 CB HIS A 114 -8.126 -12.874 5.028 1.00 0.00 C ATOM 559 CG HIS A 114 -8.991 -11.844 4.369 1.00 0.00 C ATOM 560 ND1 HIS A 114 -9.949 -11.121 5.047 1.00 0.00 N ATOM 561 CD2 HIS A 114 -9.036 -11.415 3.086 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.548 -10.294 4.209 1.00 0.00 C ATOM 563 NE2 HIS A 114 -10.012 -10.452 3.013 1.00 0.00 N ATOM 0 H HIS A 114 -8.746 -11.725 7.117 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.432 -13.080 6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.620 -13.458 4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.758 -13.563 5.587 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.419 -11.765 2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.341 -9.606 4.460 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.279 -9.942 2.171 1.00 0.00 H new ATOM 571 N LEU A 115 -6.669 -10.015 5.211 1.00 0.00 N ATOM 572 CA LEU A 115 -5.941 -8.949 4.531 1.00 0.00 C ATOM 573 C LEU A 115 -4.588 -8.706 5.192 1.00 0.00 C ATOM 574 O LEU A 115 -3.582 -8.502 4.512 1.00 0.00 O ATOM 575 CB LEU A 115 -6.764 -7.659 4.537 1.00 0.00 C ATOM 576 CG LEU A 115 -8.144 -7.740 3.883 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.819 -6.378 3.892 1.00 0.00 C ATOM 578 CD2 LEU A 115 -8.030 -8.272 2.462 1.00 0.00 C ATOM 0 H LEU A 115 -7.533 -9.714 5.662 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.770 -9.259 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.892 -7.338 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.189 -6.883 4.031 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.759 -8.431 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.800 -6.455 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.935 -6.036 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.207 -5.665 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.021 -8.323 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.398 -7.606 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.588 -9.268 2.481 1.00 0.00 H new ATOM 590 N TRP A 116 -4.571 -8.731 6.520 1.00 0.00 N ATOM 591 CA TRP A 116 -3.341 -8.515 7.272 1.00 0.00 C ATOM 592 C TRP A 116 -2.308 -9.588 6.946 1.00 0.00 C ATOM 593 O TRP A 116 -1.215 -9.285 6.470 1.00 0.00 O ATOM 594 CB TRP A 116 -3.631 -8.509 8.774 1.00 0.00 C ATOM 595 CG TRP A 116 -4.150 -7.194 9.273 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.278 -6.986 10.014 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.560 -5.906 9.066 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.425 -5.646 10.280 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.384 -4.962 9.710 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.415 -5.458 8.401 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -4.098 -3.599 9.705 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.133 -4.105 8.397 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.971 -3.189 9.046 1.00 0.00 C ATOM 0 H TRP A 116 -5.395 -8.899 7.098 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.934 -7.546 6.984 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.359 -9.288 8.999 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.718 -8.760 9.314 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.955 -7.761 10.343 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.186 -5.228 10.815 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.762 -6.157 7.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.743 -2.891 10.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.252 -3.748 7.885 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.723 -2.138 9.026 1.00 0.00 H new ATOM 614 N GLU A 117 -2.662 -10.843 7.206 1.00 0.00 N ATOM 615 CA GLU A 117 -1.764 -11.960 6.940 1.00 0.00 C ATOM 616 C GLU A 117 -1.242 -11.909 5.507 1.00 0.00 C ATOM 617 O GLU A 117 -0.069 -12.180 5.253 1.00 0.00 O ATOM 618 CB GLU A 117 -2.481 -13.290 7.186 1.00 0.00 C ATOM 619 CG GLU A 117 -3.669 -13.520 6.268 1.00 0.00 C ATOM 620 CD GLU A 117 -4.203 -14.937 6.349 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.398 -15.882 6.219 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.426 -15.100 6.544 1.00 0.00 O ATOM 0 H GLU A 117 -3.564 -11.111 7.600 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.916 -11.881 7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.770 -14.106 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.821 -13.324 8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.464 -12.821 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.377 -13.304 5.240 1.00 0.00 H new ATOM 629 N GLN A 118 -2.123 -11.562 4.574 1.00 0.00 N ATOM 630 CA GLN A 118 -1.752 -11.477 3.167 1.00 0.00 C ATOM 631 C GLN A 118 -0.595 -10.504 2.967 1.00 0.00 C ATOM 632 O GLN A 118 0.457 -10.874 2.445 1.00 0.00 O ATOM 633 CB GLN A 118 -2.953 -11.039 2.326 1.00 0.00 C ATOM 634 CG GLN A 118 -3.820 -12.196 1.855 1.00 0.00 C ATOM 635 CD GLN A 118 -4.955 -11.746 0.957 1.00 0.00 C ATOM 636 OE1 GLN A 118 -6.124 -11.794 1.342 1.00 0.00 O ATOM 637 NE2 GLN A 118 -4.617 -11.305 -0.249 1.00 0.00 N ATOM 0 H GLN A 118 -3.098 -11.335 4.767 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.431 -12.467 2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.565 -10.352 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.596 -10.486 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.200 -12.915 1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.231 -12.714 2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.636 -11.282 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.338 -10.989 -0.897 1.00 0.00 H new ATOM 646 N ILE A 119 -0.796 -9.259 3.385 1.00 0.00 N ATOM 647 CA ILE A 119 0.231 -8.233 3.252 1.00 0.00 C ATOM 648 C ILE A 119 1.583 -8.743 3.740 1.00 0.00 C ATOM 649 O ILE A 119 2.567 -8.729 3.000 1.00 0.00 O ATOM 650 CB ILE A 119 -0.139 -6.960 4.036 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.459 -6.383 3.521 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.974 -5.929 3.929 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.092 -5.386 4.466 1.00 0.00 C ATOM 0 H ILE A 119 -1.661 -8.936 3.819 1.00 0.00 H new ATOM 0 HA ILE A 119 0.298 -7.989 2.192 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.264 -7.222 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.285 -5.900 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.159 -7.200 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.697 -5.035 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.895 -6.343 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.129 -5.668 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -3.024 -5.018 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.298 -5.870 5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.410 -4.550 4.623 1.00 0.00 H new ATOM 665 N SER A 120 1.623 -9.194 4.989 1.00 0.00 N ATOM 666 CA SER A 120 2.855 -9.707 5.577 1.00 0.00 C ATOM 667 C SER A 120 3.603 -10.591 4.585 1.00 0.00 C ATOM 668 O SER A 120 4.788 -10.384 4.323 1.00 0.00 O ATOM 669 CB SER A 120 2.547 -10.497 6.851 1.00 0.00 C ATOM 670 OG SER A 120 3.699 -11.174 7.322 1.00 0.00 O ATOM 0 H SER A 120 0.817 -9.215 5.614 1.00 0.00 H new ATOM 0 HA SER A 120 3.489 -8.857 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.178 -9.820 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.753 -11.217 6.653 1.00 0.00 H new ATOM 0 HG SER A 120 4.279 -10.542 7.797 1.00 0.00 H new ATOM 676 N SER A 121 2.902 -11.579 4.036 1.00 0.00 N ATOM 677 CA SER A 121 3.500 -12.499 3.076 1.00 0.00 C ATOM 678 C SER A 121 4.117 -11.737 1.906 1.00 0.00 C ATOM 679 O SER A 121 5.302 -11.887 1.608 1.00 0.00 O ATOM 680 CB SER A 121 2.450 -13.485 2.560 1.00 0.00 C ATOM 681 OG SER A 121 3.054 -14.534 1.825 1.00 0.00 O ATOM 0 H SER A 121 1.920 -11.762 4.240 1.00 0.00 H new ATOM 0 HA SER A 121 4.289 -13.053 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.892 -13.899 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.733 -12.960 1.929 1.00 0.00 H new ATOM 0 HG SER A 121 2.362 -15.151 1.508 1.00 0.00 H new ATOM 687 N LYS A 122 3.304 -10.919 1.246 1.00 0.00 N ATOM 688 CA LYS A 122 3.767 -10.133 0.110 1.00 0.00 C ATOM 689 C LYS A 122 5.118 -9.490 0.406 1.00 0.00 C ATOM 690 O LYS A 122 6.066 -9.630 -0.367 1.00 0.00 O ATOM 691 CB LYS A 122 2.742 -9.051 -0.240 1.00 0.00 C ATOM 692 CG LYS A 122 1.313 -9.562 -0.294 1.00 0.00 C ATOM 693 CD LYS A 122 0.468 -8.752 -1.263 1.00 0.00 C ATOM 694 CE LYS A 122 0.000 -7.447 -0.638 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.739 -6.598 -1.614 1.00 0.00 N ATOM 0 H LYS A 122 2.320 -10.784 1.479 1.00 0.00 H new ATOM 0 HA LYS A 122 3.883 -10.805 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.805 -8.250 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.000 -8.616 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.311 -10.609 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 122 0.871 -9.516 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.047 -8.539 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.397 -9.339 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.643 -7.663 0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.861 -6.897 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.775 -5.619 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.252 -6.621 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.707 -6.961 -1.727 1.00 0.00 H new ATOM 709 N MET A 123 5.200 -8.788 1.532 1.00 0.00 N ATOM 710 CA MET A 123 6.437 -8.127 1.931 1.00 0.00 C ATOM 711 C MET A 123 7.614 -9.096 1.875 1.00 0.00 C ATOM 712 O MET A 123 8.546 -8.910 1.092 1.00 0.00 O ATOM 713 CB MET A 123 6.301 -7.553 3.343 1.00 0.00 C ATOM 714 CG MET A 123 5.335 -6.383 3.433 1.00 0.00 C ATOM 715 SD MET A 123 5.312 -5.625 5.069 1.00 0.00 S ATOM 716 CE MET A 123 6.885 -4.769 5.067 1.00 0.00 C ATOM 0 H MET A 123 4.425 -8.662 2.183 1.00 0.00 H new ATOM 0 HA MET A 123 6.626 -7.312 1.232 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.967 -8.342 4.016 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.282 -7.231 3.692 1.00 0.00 H new ATOM 0 HG2 MET A 123 5.610 -5.632 2.693 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.331 -6.725 3.181 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.505 -5.145 5.881 1.00 0.00 H new ATOM 0 HE2 MET A 123 7.391 -4.940 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 123 6.718 -3.700 5.201 1.00 0.00 H new ATOM 726 N ARG A 124 7.565 -10.129 2.710 1.00 0.00 N ATOM 727 CA ARG A 124 8.628 -11.125 2.756 1.00 0.00 C ATOM 728 C ARG A 124 9.095 -11.487 1.349 1.00 0.00 C ATOM 729 O ARG A 124 10.287 -11.438 1.049 1.00 0.00 O ATOM 730 CB ARG A 124 8.147 -12.382 3.484 1.00 0.00 C ATOM 731 CG ARG A 124 9.256 -13.129 4.206 1.00 0.00 C ATOM 732 CD ARG A 124 10.084 -13.965 3.242 1.00 0.00 C ATOM 733 NE ARG A 124 9.353 -15.138 2.768 1.00 0.00 N ATOM 734 CZ ARG A 124 9.935 -16.179 2.184 1.00 0.00 C ATOM 735 NH1 ARG A 124 11.248 -16.194 2.003 1.00 0.00 N ATOM 736 NH2 ARG A 124 9.203 -17.210 1.780 1.00 0.00 N ATOM 0 H ARG A 124 6.800 -10.298 3.364 1.00 0.00 H new ATOM 0 HA ARG A 124 9.469 -10.697 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.379 -12.102 4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.678 -13.052 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 124 9.902 -12.416 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 124 8.824 -13.775 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 124 10.377 -13.352 2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 124 11.002 -14.285 3.735 1.00 0.00 H new ATOM 0 HE ARG A 124 8.341 -15.158 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 124 11.815 -15.404 2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.692 -16.995 1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 124 8.192 -17.203 1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 124 9.651 -18.009 1.332 1.00 0.00 H new ATOM 750 N GLU A 125 8.146 -11.851 0.491 1.00 0.00 N ATOM 751 CA GLU A 125 8.462 -12.222 -0.883 1.00 0.00 C ATOM 752 C GLU A 125 9.448 -11.234 -1.501 1.00 0.00 C ATOM 753 O GLU A 125 10.382 -11.627 -2.201 1.00 0.00 O ATOM 754 CB GLU A 125 7.186 -12.279 -1.725 1.00 0.00 C ATOM 755 CG GLU A 125 6.119 -13.196 -1.152 1.00 0.00 C ATOM 756 CD GLU A 125 5.235 -13.805 -2.224 1.00 0.00 C ATOM 757 OE1 GLU A 125 4.626 -13.035 -2.997 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.152 -15.049 -2.289 1.00 0.00 O ATOM 0 H GLU A 125 7.154 -11.897 0.723 1.00 0.00 H new ATOM 0 HA GLU A 125 8.924 -13.209 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.777 -11.273 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.439 -12.614 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.598 -13.994 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.500 -12.634 -0.452 1.00 0.00 H new ATOM 765 N LYS A 126 9.233 -9.950 -1.238 1.00 0.00 N ATOM 766 CA LYS A 126 10.101 -8.904 -1.766 1.00 0.00 C ATOM 767 C LYS A 126 11.455 -8.915 -1.063 1.00 0.00 C ATOM 768 O LYS A 126 12.498 -9.019 -1.707 1.00 0.00 O ATOM 769 CB LYS A 126 9.441 -7.533 -1.602 1.00 0.00 C ATOM 770 CG LYS A 126 8.587 -7.124 -2.789 1.00 0.00 C ATOM 771 CD LYS A 126 7.164 -7.643 -2.659 1.00 0.00 C ATOM 772 CE LYS A 126 7.014 -9.022 -3.283 1.00 0.00 C ATOM 773 NZ LYS A 126 6.708 -8.941 -4.738 1.00 0.00 N ATOM 0 H LYS A 126 8.464 -9.608 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 126 10.260 -9.099 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.821 -7.542 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.216 -6.782 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 126 8.573 -6.037 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 126 9.032 -7.507 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.887 -7.687 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.477 -6.948 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.933 -9.589 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.219 -9.567 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.613 -9.901 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.818 -8.422 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.479 -8.444 -5.228 1.00 0.00 H new ATOM 787 N GLY A 127 11.430 -8.808 0.262 1.00 0.00 N ATOM 788 CA GLY A 127 12.662 -8.810 1.029 1.00 0.00 C ATOM 789 C GLY A 127 12.487 -8.204 2.408 1.00 0.00 C ATOM 790 O GLY A 127 13.391 -7.547 2.924 1.00 0.00 O ATOM 0 H GLY A 127 10.579 -8.720 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.023 -9.834 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.426 -8.254 0.485 1.00 0.00 H new ATOM 794 N PHE A 128 11.320 -8.424 3.005 1.00 0.00 N ATOM 795 CA PHE A 128 11.028 -7.892 4.331 1.00 0.00 C ATOM 796 C PHE A 128 10.287 -8.922 5.178 1.00 0.00 C ATOM 797 O PHE A 128 9.097 -9.167 4.977 1.00 0.00 O ATOM 798 CB PHE A 128 10.197 -6.613 4.220 1.00 0.00 C ATOM 799 CG PHE A 128 10.909 -5.494 3.515 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.230 -5.199 3.814 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.259 -4.738 2.553 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.889 -4.171 3.166 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.913 -3.708 1.903 1.00 0.00 C ATOM 804 CZ PHE A 128 12.229 -3.424 2.211 1.00 0.00 C ATOM 0 H PHE A 128 10.562 -8.967 2.592 1.00 0.00 H new ATOM 0 HA PHE A 128 11.975 -7.659 4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.272 -6.836 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.919 -6.282 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.750 -5.779 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.230 -4.956 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.919 -3.953 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.395 -3.126 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.741 -2.619 1.705 1.00 0.00 H new ATOM 814 N ASP A 129 10.998 -9.523 6.126 1.00 0.00 N ATOM 815 CA ASP A 129 10.409 -10.526 7.005 1.00 0.00 C ATOM 816 C ASP A 129 9.856 -9.880 8.272 1.00 0.00 C ATOM 817 O ASP A 129 10.563 -9.748 9.272 1.00 0.00 O ATOM 818 CB ASP A 129 11.446 -11.589 7.370 1.00 0.00 C ATOM 819 CG ASP A 129 11.628 -12.620 6.273 1.00 0.00 C ATOM 820 OD1 ASP A 129 12.099 -12.245 5.179 1.00 0.00 O ATOM 821 OD2 ASP A 129 11.299 -13.802 6.509 1.00 0.00 O ATOM 0 H ASP A 129 11.984 -9.333 6.305 1.00 0.00 H new ATOM 0 HA ASP A 129 9.586 -11.002 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.402 -11.106 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.141 -12.090 8.289 1.00 0.00 H new ATOM 826 N ARG A 130 8.590 -9.480 8.223 1.00 0.00 N ATOM 827 CA ARG A 130 7.944 -8.847 9.366 1.00 0.00 C ATOM 828 C ARG A 130 6.634 -9.550 9.708 1.00 0.00 C ATOM 829 O ARG A 130 5.824 -9.839 8.827 1.00 0.00 O ATOM 830 CB ARG A 130 7.680 -7.368 9.075 1.00 0.00 C ATOM 831 CG ARG A 130 8.928 -6.503 9.142 1.00 0.00 C ATOM 832 CD ARG A 130 9.248 -6.096 10.572 1.00 0.00 C ATOM 833 NE ARG A 130 10.673 -5.840 10.762 1.00 0.00 N ATOM 834 CZ ARG A 130 11.270 -5.850 11.949 1.00 0.00 C ATOM 835 NH1 ARG A 130 10.568 -6.103 13.045 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.571 -5.607 12.040 1.00 0.00 N ATOM 0 H ARG A 130 7.991 -9.583 7.404 1.00 0.00 H new ATOM 0 HA ARG A 130 8.615 -8.928 10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.236 -7.275 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.948 -6.991 9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.773 -7.048 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.787 -5.611 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.681 -5.201 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.927 -6.884 11.254 1.00 0.00 H new ATOM 0 HE ARG A 130 11.241 -5.643 9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.568 -6.290 12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 130 11.028 -6.110 13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 130 13.114 -5.412 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.029 -5.615 12.951 1.00 0.00 H new ATOM 850 N SER A 131 6.433 -9.823 10.994 1.00 0.00 N ATOM 851 CA SER A 131 5.224 -10.497 11.452 1.00 0.00 C ATOM 852 C SER A 131 3.977 -9.742 11.000 1.00 0.00 C ATOM 853 O SER A 131 4.022 -8.555 10.677 1.00 0.00 O ATOM 854 CB SER A 131 5.232 -10.624 12.977 1.00 0.00 C ATOM 855 OG SER A 131 5.849 -11.833 13.385 1.00 0.00 O ATOM 0 H SER A 131 7.092 -9.588 11.736 1.00 0.00 H new ATOM 0 HA SER A 131 5.204 -11.494 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.761 -9.777 13.413 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.210 -10.589 13.353 1.00 0.00 H new ATOM 0 HG SER A 131 5.843 -11.889 14.363 1.00 0.00 H new ATOM 861 N PRO A 132 2.836 -10.447 10.976 1.00 0.00 N ATOM 862 CA PRO A 132 1.555 -9.865 10.566 1.00 0.00 C ATOM 863 C PRO A 132 1.025 -8.857 11.580 1.00 0.00 C ATOM 864 O PRO A 132 0.647 -7.740 11.222 1.00 0.00 O ATOM 865 CB PRO A 132 0.625 -11.078 10.483 1.00 0.00 C ATOM 866 CG PRO A 132 1.222 -12.078 11.412 1.00 0.00 C ATOM 867 CD PRO A 132 2.709 -11.866 11.348 1.00 0.00 C ATOM 0 HA PRO A 132 1.640 -9.310 9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.391 -10.819 10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.570 -11.466 9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.851 -11.938 12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.959 -13.093 11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.186 -12.075 12.306 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.176 -12.518 10.610 1.00 0.00 H new ATOM 875 N THR A 133 1.000 -9.256 12.848 1.00 0.00 N ATOM 876 CA THR A 133 0.516 -8.388 13.913 1.00 0.00 C ATOM 877 C THR A 133 1.233 -7.043 13.894 1.00 0.00 C ATOM 878 O THR A 133 0.622 -5.999 14.122 1.00 0.00 O ATOM 879 CB THR A 133 0.704 -9.038 15.297 1.00 0.00 C ATOM 880 OG1 THR A 133 1.872 -9.866 15.294 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.512 -9.870 15.674 1.00 0.00 C ATOM 0 H THR A 133 1.310 -10.176 13.162 1.00 0.00 H new ATOM 0 HA THR A 133 -0.548 -8.232 13.735 1.00 0.00 H new ATOM 0 HB THR A 133 0.823 -8.244 16.034 1.00 0.00 H new ATOM 0 HG1 THR A 133 1.986 -10.274 16.178 1.00 0.00 H new ATOM 0 HG21 THR A 133 -0.356 -10.319 16.655 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.395 -9.231 15.704 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.658 -10.657 14.934 1.00 0.00 H new ATOM 889 N MET A 134 2.534 -7.074 13.621 1.00 0.00 N ATOM 890 CA MET A 134 3.334 -5.856 13.571 1.00 0.00 C ATOM 891 C MET A 134 2.727 -4.847 12.601 1.00 0.00 C ATOM 892 O MET A 134 2.537 -3.679 12.944 1.00 0.00 O ATOM 893 CB MET A 134 4.770 -6.180 13.156 1.00 0.00 C ATOM 894 CG MET A 134 5.467 -7.157 14.090 1.00 0.00 C ATOM 895 SD MET A 134 6.092 -6.363 15.583 1.00 0.00 S ATOM 896 CE MET A 134 7.391 -5.335 14.901 1.00 0.00 C ATOM 0 H MET A 134 3.056 -7.929 13.431 1.00 0.00 H new ATOM 0 HA MET A 134 3.343 -5.415 14.568 1.00 0.00 H new ATOM 0 HB2 MET A 134 4.763 -6.595 12.148 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.345 -5.255 13.116 1.00 0.00 H new ATOM 0 HG2 MET A 134 4.770 -7.948 14.368 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.294 -7.632 13.562 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.320 -5.516 15.441 1.00 0.00 H new ATOM 0 HE2 MET A 134 7.531 -5.577 13.847 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.113 -4.285 14.999 1.00 0.00 H new ATOM 906 N CYS A 135 2.426 -5.304 11.391 1.00 0.00 N ATOM 907 CA CYS A 135 1.842 -4.440 10.371 1.00 0.00 C ATOM 908 C CYS A 135 0.531 -3.833 10.858 1.00 0.00 C ATOM 909 O CYS A 135 0.261 -2.652 10.638 1.00 0.00 O ATOM 910 CB CYS A 135 1.605 -5.228 9.081 1.00 0.00 C ATOM 911 SG CYS A 135 3.063 -6.109 8.476 1.00 0.00 S ATOM 0 H CYS A 135 2.576 -6.268 11.092 1.00 0.00 H new ATOM 0 HA CYS A 135 2.544 -3.630 10.171 1.00 0.00 H new ATOM 0 HB2 CYS A 135 0.803 -5.947 9.249 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.261 -4.542 8.307 1.00 0.00 H new ATOM 0 HG CYS A 135 3.415 -7.012 9.342 1.00 0.00 H new ATOM 917 N THR A 136 -0.283 -4.649 11.521 1.00 0.00 N ATOM 918 CA THR A 136 -1.568 -4.194 12.037 1.00 0.00 C ATOM 919 C THR A 136 -1.395 -2.990 12.957 1.00 0.00 C ATOM 920 O THR A 136 -1.868 -1.894 12.657 1.00 0.00 O ATOM 921 CB THR A 136 -2.293 -5.314 12.807 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.687 -6.352 11.904 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.517 -4.770 13.528 1.00 0.00 C ATOM 0 H THR A 136 -0.075 -5.629 11.713 1.00 0.00 H new ATOM 0 HA THR A 136 -2.171 -3.907 11.176 1.00 0.00 H new ATOM 0 HB THR A 136 -1.605 -5.720 13.549 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.231 -5.970 11.184 1.00 0.00 H new ATOM 0 HG21 THR A 136 -4.013 -5.579 14.065 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.210 -4.000 14.236 1.00 0.00 H new ATOM 0 HG23 THR A 136 -4.207 -4.341 12.801 1.00 0.00 H new ATOM 931 N ASP A 137 -0.714 -3.201 14.078 1.00 0.00 N ATOM 932 CA ASP A 137 -0.477 -2.133 15.042 1.00 0.00 C ATOM 933 C ASP A 137 0.254 -0.964 14.388 1.00 0.00 C ATOM 934 O ASP A 137 -0.154 0.190 14.519 1.00 0.00 O ATOM 935 CB ASP A 137 0.332 -2.657 16.229 1.00 0.00 C ATOM 936 CG ASP A 137 0.017 -1.920 17.515 1.00 0.00 C ATOM 937 OD1 ASP A 137 -1.181 -1.697 17.794 1.00 0.00 O ATOM 938 OD2 ASP A 137 0.967 -1.567 18.245 1.00 0.00 O ATOM 0 H ASP A 137 -0.316 -4.102 14.342 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.444 -1.780 15.400 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.128 -3.719 16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.396 -2.562 16.010 1.00 0.00 H new ATOM 943 N LYS A 138 1.339 -1.271 13.684 1.00 0.00 N ATOM 944 CA LYS A 138 2.129 -0.248 13.010 1.00 0.00 C ATOM 945 C LYS A 138 1.235 0.672 12.184 1.00 0.00 C ATOM 946 O LYS A 138 1.182 1.879 12.423 1.00 0.00 O ATOM 947 CB LYS A 138 3.181 -0.898 12.109 1.00 0.00 C ATOM 948 CG LYS A 138 4.311 0.039 11.719 1.00 0.00 C ATOM 949 CD LYS A 138 3.783 1.321 11.098 1.00 0.00 C ATOM 950 CE LYS A 138 4.878 2.073 10.357 1.00 0.00 C ATOM 951 NZ LYS A 138 5.318 1.348 9.133 1.00 0.00 N ATOM 0 H LYS A 138 1.691 -2.221 13.566 1.00 0.00 H new ATOM 0 HA LYS A 138 2.631 0.349 13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.599 -1.765 12.620 1.00 0.00 H new ATOM 0 HB3 LYS A 138 2.696 -1.265 11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.906 0.279 12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.973 -0.462 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.972 1.086 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.365 1.959 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.516 3.064 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.731 2.218 11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.303 1.600 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.250 0.323 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 4.708 1.614 8.334 1.00 0.00 H new ATOM 965 N TRP A 139 0.536 0.095 11.213 1.00 0.00 N ATOM 966 CA TRP A 139 -0.356 0.864 10.353 1.00 0.00 C ATOM 967 C TRP A 139 -1.176 1.858 11.169 1.00 0.00 C ATOM 968 O TRP A 139 -1.177 3.056 10.884 1.00 0.00 O ATOM 969 CB TRP A 139 -1.288 -0.073 9.582 1.00 0.00 C ATOM 970 CG TRP A 139 -2.315 0.651 8.765 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.649 0.759 9.034 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.090 1.366 7.545 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.268 1.497 8.054 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.333 1.882 7.130 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.960 1.622 6.764 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.475 2.637 5.968 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.102 2.371 5.611 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.352 2.872 5.223 1.00 0.00 C ATOM 0 H TRP A 139 0.570 -0.902 11.002 1.00 0.00 H new ATOM 0 HA TRP A 139 0.255 1.422 9.644 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.692 -0.707 8.925 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.794 -0.732 10.288 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.145 0.328 9.891 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.262 1.722 8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.008 1.241 7.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.437 3.023 5.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.235 2.573 4.999 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.430 3.455 4.318 1.00 0.00 H new ATOM 989 N ARG A 140 -1.871 1.354 12.183 1.00 0.00 N ATOM 990 CA ARG A 140 -2.695 2.199 13.039 1.00 0.00 C ATOM 991 C ARG A 140 -1.935 3.454 13.458 1.00 0.00 C ATOM 992 O ARG A 140 -2.482 4.555 13.447 1.00 0.00 O ATOM 993 CB ARG A 140 -3.143 1.422 14.279 1.00 0.00 C ATOM 994 CG ARG A 140 -4.453 0.676 14.090 1.00 0.00 C ATOM 995 CD ARG A 140 -4.223 -0.719 13.529 1.00 0.00 C ATOM 996 NE ARG A 140 -5.458 -1.497 13.474 1.00 0.00 N ATOM 997 CZ ARG A 140 -6.382 -1.342 12.532 1.00 0.00 C ATOM 998 NH1 ARG A 140 -6.211 -0.444 11.572 1.00 0.00 N ATOM 999 NH2 ARG A 140 -7.480 -2.087 12.549 1.00 0.00 N ATOM 0 H ARG A 140 -1.880 0.365 12.432 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.575 2.501 12.471 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.365 0.709 14.551 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.247 2.115 15.114 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -4.973 0.604 15.045 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.100 1.238 13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -3.798 -0.642 12.528 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.492 -1.242 14.146 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.620 -2.197 14.198 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.368 0.130 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.922 -0.327 10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.615 -2.779 13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.189 -1.967 11.825 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.671 3.277 13.829 1.00 0.00 N ATOM 1014 CA ASN A 141 0.164 4.395 14.253 1.00 0.00 C ATOM 1015 C ASN A 141 0.305 5.424 13.135 1.00 0.00 C ATOM 1016 O ASN A 141 0.087 6.618 13.345 1.00 0.00 O ATOM 1017 CB ASN A 141 1.547 3.894 14.677 1.00 0.00 C ATOM 1018 CG ASN A 141 2.173 4.764 15.750 1.00 0.00 C ATOM 1019 OD1 ASN A 141 1.472 5.363 16.567 1.00 0.00 O ATOM 1020 ND2 ASN A 141 3.498 4.837 15.753 1.00 0.00 N ATOM 0 H ASN A 141 -0.203 2.371 13.845 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.319 4.874 15.105 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.463 2.872 15.045 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.203 3.866 13.807 1.00 0.00 H new ATOM 0 HD21 ASN A 141 3.976 5.406 16.451 1.00 0.00 H new ATOM 0 HD22 ASN A 141 4.039 4.324 15.057 1.00 0.00 H new ATOM 1027 N LEU A 142 0.669 4.953 11.948 1.00 0.00 N ATOM 1028 CA LEU A 142 0.838 5.832 10.796 1.00 0.00 C ATOM 1029 C LEU A 142 -0.403 6.692 10.580 1.00 0.00 C ATOM 1030 O LEU A 142 -0.305 7.904 10.383 1.00 0.00 O ATOM 1031 CB LEU A 142 1.126 5.008 9.539 1.00 0.00 C ATOM 1032 CG LEU A 142 2.480 4.300 9.497 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.456 3.161 8.489 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.588 5.288 9.161 1.00 0.00 C ATOM 0 H LEU A 142 0.853 3.968 11.758 1.00 0.00 H new ATOM 0 HA LEU A 142 1.684 6.490 10.994 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.343 4.258 9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 142 1.056 5.666 8.673 1.00 0.00 H new ATOM 0 HG LEU A 142 2.680 3.881 10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.428 2.669 8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.689 2.440 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.233 3.557 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.545 4.767 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.393 5.736 8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.621 6.070 9.920 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.570 6.059 10.622 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.832 6.767 10.434 1.00 0.00 C ATOM 1048 C LEU A 143 -2.962 7.920 11.423 1.00 0.00 C ATOM 1049 O LEU A 143 -3.349 9.029 11.053 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.009 5.804 10.598 1.00 0.00 C ATOM 1051 CG LEU A 143 -3.975 4.547 9.727 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.083 3.588 10.131 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.095 4.915 8.255 1.00 0.00 C ATOM 0 H LEU A 143 -1.669 5.057 10.785 1.00 0.00 H new ATOM 0 HA LEU A 143 -2.844 7.176 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.058 5.497 11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -4.929 6.347 10.382 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.018 4.048 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.043 2.700 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -4.952 3.299 11.174 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.050 4.077 10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.069 4.009 7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.037 5.437 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.265 5.563 7.973 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.634 7.652 12.682 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.711 8.668 13.726 1.00 0.00 C ATOM 1067 C LYS A 144 -1.922 9.913 13.332 1.00 0.00 C ATOM 1068 O LYS A 144 -2.405 11.035 13.478 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.178 8.111 15.048 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.476 8.997 16.245 1.00 0.00 C ATOM 1071 CD LYS A 144 -2.705 8.177 17.503 1.00 0.00 C ATOM 1072 CE LYS A 144 -3.026 9.063 18.697 1.00 0.00 C ATOM 1073 NZ LYS A 144 -3.423 8.266 19.890 1.00 0.00 N ATOM 0 H LYS A 144 -2.312 6.740 13.005 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.757 8.947 13.851 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.612 7.126 15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.100 7.975 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -1.646 9.686 16.405 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.358 9.603 16.039 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -3.524 7.477 17.338 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.817 7.583 17.718 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -2.156 9.672 18.941 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -3.832 9.748 18.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.633 8.907 20.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.269 7.703 19.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.645 7.630 20.157 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.708 9.706 12.832 1.00 0.00 N ATOM 1088 CA GLU A 145 0.145 10.812 12.417 1.00 0.00 C ATOM 1089 C GLU A 145 -0.397 11.473 11.153 1.00 0.00 C ATOM 1090 O GLU A 145 -0.471 12.699 11.063 1.00 0.00 O ATOM 1091 CB GLU A 145 1.574 10.321 12.176 1.00 0.00 C ATOM 1092 CG GLU A 145 2.206 9.665 13.393 1.00 0.00 C ATOM 1093 CD GLU A 145 2.467 10.649 14.517 1.00 0.00 C ATOM 1094 OE1 GLU A 145 3.399 11.468 14.382 1.00 0.00 O ATOM 1095 OE2 GLU A 145 1.739 10.599 15.531 1.00 0.00 O ATOM 0 H GLU A 145 -0.294 8.783 12.705 1.00 0.00 H new ATOM 0 HA GLU A 145 0.153 11.551 13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.570 9.609 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 145 2.192 11.164 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.552 8.872 13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 145 3.145 9.195 13.101 1.00 0.00 H new