USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=14 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 102 MET CE :methyl -127:sc= -0.399 (180deg=-0.808) USER MOD Set 1.2: A 122 LYS NZ :NH3+ -125:sc= -1.38 (180deg=-2.42!) USER MOD Set 2.1: A 94 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 123 MET CE :methyl 153:sc= -0.262 (180deg=-0.958) USER MOD Set 3.1: A 92 THR OG1 : rot 79:sc= 0.339 USER MOD Set 3.2: A 138 LYS NZ :NH3+ -164:sc= 0.155 (180deg=-0.461) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -143:sc=-0.00357 (180deg=-0.623) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.991 K(o=-0.99,f=-3.4) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 92:sc= 0.426 USER MOD Single : A 121 SER OG : rot 180:sc= 0 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= 0.0781 USER MOD Single : A 134 MET CE :methyl 157:sc= -2.17! (180deg=-3.74!) USER MOD Single : A 135 CYS SG : rot 71:sc= -0.127 USER MOD Single : A 136 THR OG1 : rot -77:sc= 2.62 USER MOD Single : A 141 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.2!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.397 0.248 12.735 1.00 0.00 N ATOM 109 CA TRP A 87 11.290 0.002 11.301 1.00 0.00 C ATOM 110 C TRP A 87 12.155 0.982 10.516 1.00 0.00 C ATOM 111 O TRP A 87 12.530 2.039 11.023 1.00 0.00 O ATOM 112 CB TRP A 87 9.832 0.115 10.851 1.00 0.00 C ATOM 113 CG TRP A 87 8.979 -1.029 11.308 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.865 -1.509 12.581 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.123 -1.838 10.494 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.990 -2.568 12.608 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.520 -2.789 11.341 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.806 -1.851 9.133 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.620 -3.741 10.869 1.00 0.00 C ATOM 120 CZ3 TRP A 87 6.913 -2.796 8.666 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.328 -3.730 9.532 1.00 0.00 C ATOM 0 HA TRP A 87 11.647 -1.009 11.102 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.413 1.046 11.232 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.798 0.172 9.763 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.386 -1.114 13.441 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.732 -3.103 13.437 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.251 -1.135 8.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.169 -4.462 11.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.661 -2.815 7.616 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.633 -4.456 9.136 1.00 0.00 H new ATOM 132 N VAL A 88 12.468 0.624 9.274 1.00 0.00 N ATOM 133 CA VAL A 88 13.288 1.473 8.418 1.00 0.00 C ATOM 134 C VAL A 88 12.481 2.011 7.242 1.00 0.00 C ATOM 135 O VAL A 88 11.493 1.405 6.826 1.00 0.00 O ATOM 136 CB VAL A 88 14.513 0.710 7.879 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.400 0.247 9.025 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.072 -0.469 7.025 1.00 0.00 C ATOM 0 H VAL A 88 12.166 -0.248 8.839 1.00 0.00 H new ATOM 0 HA VAL A 88 13.629 2.306 9.032 1.00 0.00 H new ATOM 0 HB VAL A 88 15.094 1.386 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.260 -0.290 8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.744 1.112 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.832 -0.414 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.950 -0.997 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.468 -1.148 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.481 -0.108 6.183 1.00 0.00 H new ATOM 148 N GLN A 89 12.908 3.151 6.710 1.00 0.00 N ATOM 149 CA GLN A 89 12.224 3.771 5.582 1.00 0.00 C ATOM 150 C GLN A 89 11.835 2.726 4.541 1.00 0.00 C ATOM 151 O GLN A 89 10.687 2.674 4.099 1.00 0.00 O ATOM 152 CB GLN A 89 13.113 4.839 4.942 1.00 0.00 C ATOM 153 CG GLN A 89 12.344 5.858 4.118 1.00 0.00 C ATOM 154 CD GLN A 89 13.210 7.017 3.667 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.274 6.820 3.078 1.00 0.00 O ATOM 156 NE2 GLN A 89 12.758 8.236 3.940 1.00 0.00 N ATOM 0 H GLN A 89 13.725 3.664 7.042 1.00 0.00 H new ATOM 0 HA GLN A 89 11.315 4.242 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.663 5.359 5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.851 4.351 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.918 5.366 3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.510 6.240 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.871 8.353 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.298 9.055 3.660 1.00 0.00 H new ATOM 165 N ASP A 90 12.798 1.898 4.153 1.00 0.00 N ATOM 166 CA ASP A 90 12.556 0.853 3.165 1.00 0.00 C ATOM 167 C ASP A 90 11.352 0.002 3.556 1.00 0.00 C ATOM 168 O ASP A 90 10.342 -0.020 2.855 1.00 0.00 O ATOM 169 CB ASP A 90 13.794 -0.032 3.013 1.00 0.00 C ATOM 170 CG ASP A 90 15.028 0.760 2.628 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.256 1.833 3.226 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.767 0.307 1.729 1.00 0.00 O ATOM 0 H ASP A 90 13.754 1.930 4.507 1.00 0.00 H new ATOM 0 HA ASP A 90 12.343 1.334 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.980 -0.556 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.603 -0.792 2.256 1.00 0.00 H new ATOM 177 N GLU A 91 11.469 -0.697 4.681 1.00 0.00 N ATOM 178 CA GLU A 91 10.390 -1.551 5.164 1.00 0.00 C ATOM 179 C GLU A 91 9.090 -0.764 5.294 1.00 0.00 C ATOM 180 O GLU A 91 8.099 -1.063 4.626 1.00 0.00 O ATOM 181 CB GLU A 91 10.763 -2.167 6.515 1.00 0.00 C ATOM 182 CG GLU A 91 11.759 -3.310 6.408 1.00 0.00 C ATOM 183 CD GLU A 91 12.098 -3.915 7.757 1.00 0.00 C ATOM 184 OE1 GLU A 91 13.043 -3.424 8.407 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.416 -4.881 8.161 1.00 0.00 O ATOM 0 H GLU A 91 12.299 -0.689 5.274 1.00 0.00 H new ATOM 0 HA GLU A 91 10.240 -2.349 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.181 -1.391 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.858 -2.529 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.350 -4.084 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.673 -2.948 5.936 1.00 0.00 H new ATOM 192 N THR A 92 9.099 0.245 6.159 1.00 0.00 N ATOM 193 CA THR A 92 7.921 1.075 6.378 1.00 0.00 C ATOM 194 C THR A 92 7.194 1.355 5.068 1.00 0.00 C ATOM 195 O THR A 92 6.027 0.999 4.906 1.00 0.00 O ATOM 196 CB THR A 92 8.293 2.414 7.043 1.00 0.00 C ATOM 197 OG1 THR A 92 8.991 2.175 8.270 1.00 0.00 O ATOM 198 CG2 THR A 92 7.049 3.247 7.315 1.00 0.00 C ATOM 0 H THR A 92 9.910 0.507 6.720 1.00 0.00 H new ATOM 0 HA THR A 92 7.262 0.518 7.044 1.00 0.00 H new ATOM 0 HB THR A 92 8.939 2.966 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.925 1.948 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.337 4.188 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.536 3.452 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.382 2.698 7.980 1.00 0.00 H new ATOM 206 N ARG A 93 7.892 1.996 4.135 1.00 0.00 N ATOM 207 CA ARG A 93 7.312 2.324 2.839 1.00 0.00 C ATOM 208 C ARG A 93 6.696 1.088 2.189 1.00 0.00 C ATOM 209 O ARG A 93 5.534 1.100 1.785 1.00 0.00 O ATOM 210 CB ARG A 93 8.376 2.921 1.916 1.00 0.00 C ATOM 211 CG ARG A 93 7.821 3.911 0.906 1.00 0.00 C ATOM 212 CD ARG A 93 7.780 5.322 1.473 1.00 0.00 C ATOM 213 NE ARG A 93 9.113 5.911 1.569 1.00 0.00 N ATOM 214 CZ ARG A 93 9.743 6.474 0.544 1.00 0.00 C ATOM 215 NH1 ARG A 93 9.165 6.523 -0.648 1.00 0.00 N ATOM 216 NH2 ARG A 93 10.955 6.989 0.709 1.00 0.00 N ATOM 0 H ARG A 93 8.859 2.298 4.253 1.00 0.00 H new ATOM 0 HA ARG A 93 6.524 3.060 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.132 3.419 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.877 2.113 1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.436 3.897 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.817 3.607 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.151 5.949 0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.320 5.303 2.461 1.00 0.00 H new ATOM 0 HE ARG A 93 9.586 5.889 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.234 6.128 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.651 6.956 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.404 6.953 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.437 7.421 -0.079 1.00 0.00 H new ATOM 230 N SER A 94 7.484 0.022 2.093 1.00 0.00 N ATOM 231 CA SER A 94 7.019 -1.221 1.489 1.00 0.00 C ATOM 232 C SER A 94 5.629 -1.586 2.001 1.00 0.00 C ATOM 233 O SER A 94 4.749 -1.966 1.227 1.00 0.00 O ATOM 234 CB SER A 94 8.000 -2.357 1.788 1.00 0.00 C ATOM 235 OG SER A 94 7.445 -3.614 1.440 1.00 0.00 O ATOM 0 H SER A 94 8.448 -0.006 2.426 1.00 0.00 H new ATOM 0 HA SER A 94 6.963 -1.074 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.925 -2.198 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.258 -2.350 2.847 1.00 0.00 H new ATOM 0 HG SER A 94 7.685 -4.277 2.121 1.00 0.00 H new ATOM 241 N LEU A 95 5.438 -1.469 3.310 1.00 0.00 N ATOM 242 CA LEU A 95 4.155 -1.787 3.928 1.00 0.00 C ATOM 243 C LEU A 95 3.093 -0.766 3.533 1.00 0.00 C ATOM 244 O LEU A 95 1.981 -1.129 3.150 1.00 0.00 O ATOM 245 CB LEU A 95 4.297 -1.829 5.451 1.00 0.00 C ATOM 246 CG LEU A 95 2.991 -1.831 6.246 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.192 -3.093 5.958 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.274 -1.706 7.736 1.00 0.00 C ATOM 0 H LEU A 95 6.155 -1.156 3.965 1.00 0.00 H new ATOM 0 HA LEU A 95 3.840 -2.768 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.864 -2.721 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.889 -0.969 5.765 1.00 0.00 H new ATOM 0 HG LEU A 95 2.398 -0.971 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.266 -3.076 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.958 -3.141 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.779 -3.967 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.333 -1.709 8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.888 -2.546 8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.804 -0.773 7.929 1.00 0.00 H new ATOM 260 N ILE A 96 3.445 0.512 3.626 1.00 0.00 N ATOM 261 CA ILE A 96 2.523 1.585 3.275 1.00 0.00 C ATOM 262 C ILE A 96 1.896 1.346 1.905 1.00 0.00 C ATOM 263 O ILE A 96 0.676 1.245 1.779 1.00 0.00 O ATOM 264 CB ILE A 96 3.227 2.955 3.272 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.818 3.252 4.652 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.255 4.050 2.859 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.835 4.372 4.646 1.00 0.00 C ATOM 0 H ILE A 96 4.362 0.829 3.941 1.00 0.00 H new ATOM 0 HA ILE A 96 1.741 1.589 4.034 1.00 0.00 H new ATOM 0 HB ILE A 96 4.041 2.927 2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.010 3.510 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.288 2.348 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.768 5.012 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.878 3.843 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.422 4.081 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.211 4.527 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.663 4.109 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.365 5.288 4.289 1.00 0.00 H new ATOM 279 N MET A 97 2.740 1.254 0.883 1.00 0.00 N ATOM 280 CA MET A 97 2.268 1.023 -0.478 1.00 0.00 C ATOM 281 C MET A 97 1.354 -0.197 -0.536 1.00 0.00 C ATOM 282 O MET A 97 0.185 -0.091 -0.908 1.00 0.00 O ATOM 283 CB MET A 97 3.454 0.832 -1.426 1.00 0.00 C ATOM 284 CG MET A 97 4.001 2.135 -1.985 1.00 0.00 C ATOM 285 SD MET A 97 4.616 3.239 -0.700 1.00 0.00 S ATOM 286 CE MET A 97 4.191 4.835 -1.393 1.00 0.00 C ATOM 0 H MET A 97 3.753 1.336 0.971 1.00 0.00 H new ATOM 0 HA MET A 97 1.698 1.897 -0.792 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.251 0.310 -0.897 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.148 0.191 -2.253 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.807 1.915 -2.686 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.217 2.641 -2.549 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.977 5.554 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.089 4.747 -2.475 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.248 5.177 -0.967 1.00 0.00 H new ATOM 296 N PHE A 98 1.894 -1.354 -0.168 1.00 0.00 N ATOM 297 CA PHE A 98 1.126 -2.594 -0.180 1.00 0.00 C ATOM 298 C PHE A 98 -0.243 -2.392 0.464 1.00 0.00 C ATOM 299 O PHE A 98 -1.240 -2.958 0.016 1.00 0.00 O ATOM 300 CB PHE A 98 1.890 -3.698 0.554 1.00 0.00 C ATOM 301 CG PHE A 98 2.812 -4.482 -0.335 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.335 -5.092 -1.484 1.00 0.00 C ATOM 303 CD2 PHE A 98 4.156 -4.608 -0.022 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.182 -5.815 -2.303 1.00 0.00 C ATOM 305 CE2 PHE A 98 5.007 -5.329 -0.838 1.00 0.00 C ATOM 306 CZ PHE A 98 4.520 -5.932 -1.981 1.00 0.00 C ATOM 0 H PHE A 98 2.860 -1.459 0.142 1.00 0.00 H new ATOM 0 HA PHE A 98 0.979 -2.892 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.470 -3.252 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.175 -4.380 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.290 -5.002 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.543 -4.137 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.798 -6.288 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.052 -5.421 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.184 -6.494 -2.622 1.00 0.00 H new ATOM 316 N ARG A 99 -0.282 -1.582 1.516 1.00 0.00 N ATOM 317 CA ARG A 99 -1.527 -1.307 2.223 1.00 0.00 C ATOM 318 C ARG A 99 -2.477 -0.491 1.352 1.00 0.00 C ATOM 319 O ARG A 99 -3.633 -0.867 1.156 1.00 0.00 O ATOM 320 CB ARG A 99 -1.243 -0.559 3.527 1.00 0.00 C ATOM 321 CG ARG A 99 -2.491 -0.007 4.196 1.00 0.00 C ATOM 322 CD ARG A 99 -3.232 -1.086 4.971 1.00 0.00 C ATOM 323 NE ARG A 99 -4.647 -0.767 5.137 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.405 -1.269 6.105 1.00 0.00 C ATOM 325 NH1 ARG A 99 -4.886 -2.109 6.990 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.685 -0.931 6.190 1.00 0.00 N ATOM 0 H ARG A 99 0.534 -1.104 1.898 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.003 -2.260 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.737 -1.232 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.557 0.263 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.215 0.803 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.152 0.419 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.134 -2.038 4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.771 -1.210 5.951 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.077 -0.123 4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.902 -2.371 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.471 -2.493 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.088 -0.285 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.266 -1.317 6.934 1.00 0.00 H new ATOM 340 N ARG A 100 -1.982 0.628 0.833 1.00 0.00 N ATOM 341 CA ARG A 100 -2.787 1.498 -0.015 1.00 0.00 C ATOM 342 C ARG A 100 -3.573 0.684 -1.039 1.00 0.00 C ATOM 343 O ARG A 100 -4.780 0.863 -1.195 1.00 0.00 O ATOM 344 CB ARG A 100 -1.896 2.514 -0.732 1.00 0.00 C ATOM 345 CG ARG A 100 -1.332 3.585 0.188 1.00 0.00 C ATOM 346 CD ARG A 100 -0.369 4.502 -0.550 1.00 0.00 C ATOM 347 NE ARG A 100 -1.069 5.479 -1.379 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.476 6.202 -2.322 1.00 0.00 C ATOM 349 NH1 ARG A 100 0.822 6.058 -2.554 1.00 0.00 N ATOM 350 NH2 ARG A 100 -1.181 7.071 -3.035 1.00 0.00 N ATOM 0 H ARG A 100 -1.027 0.953 0.985 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.494 2.030 0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.071 1.987 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.471 2.993 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.148 4.174 0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.818 3.113 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.260 5.023 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.293 3.904 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.068 5.614 -1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.367 5.391 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.275 6.614 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.179 7.184 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.725 7.626 -3.759 1.00 0.00 H new ATOM 364 N GLY A 101 -2.879 -0.211 -1.735 1.00 0.00 N ATOM 365 CA GLY A 101 -3.527 -1.039 -2.735 1.00 0.00 C ATOM 366 C GLY A 101 -4.571 -1.961 -2.136 1.00 0.00 C ATOM 367 O GLY A 101 -5.648 -2.142 -2.704 1.00 0.00 O ATOM 0 H GLY A 101 -1.879 -0.377 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.997 -0.400 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.775 -1.634 -3.252 1.00 0.00 H new ATOM 371 N MET A 102 -4.251 -2.547 -0.987 1.00 0.00 N ATOM 372 CA MET A 102 -5.170 -3.456 -0.312 1.00 0.00 C ATOM 373 C MET A 102 -6.365 -2.698 0.257 1.00 0.00 C ATOM 374 O MET A 102 -7.426 -3.278 0.491 1.00 0.00 O ATOM 375 CB MET A 102 -4.447 -4.207 0.809 1.00 0.00 C ATOM 376 CG MET A 102 -3.308 -5.084 0.316 1.00 0.00 C ATOM 377 SD MET A 102 -3.878 -6.676 -0.309 1.00 0.00 S ATOM 378 CE MET A 102 -4.291 -7.513 1.220 1.00 0.00 C ATOM 0 H MET A 102 -3.363 -2.409 -0.504 1.00 0.00 H new ATOM 0 HA MET A 102 -5.534 -4.175 -1.046 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.055 -3.485 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.167 -4.827 1.343 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.767 -4.561 -0.473 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.603 -5.249 1.131 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.781 -8.476 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.975 -6.902 2.066 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.368 -7.671 1.269 1.00 0.00 H new ATOM 388 N ASP A 103 -6.186 -1.400 0.476 1.00 0.00 N ATOM 389 CA ASP A 103 -7.251 -0.563 1.017 1.00 0.00 C ATOM 390 C ASP A 103 -8.608 -0.984 0.462 1.00 0.00 C ATOM 391 O ASP A 103 -9.499 -1.383 1.210 1.00 0.00 O ATOM 392 CB ASP A 103 -6.987 0.908 0.690 1.00 0.00 C ATOM 393 CG ASP A 103 -8.071 1.823 1.225 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.159 1.979 2.460 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.832 2.383 0.407 1.00 0.00 O ATOM 0 H ASP A 103 -5.314 -0.905 0.287 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.266 -0.690 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.026 1.204 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.914 1.030 -0.391 1.00 0.00 H new ATOM 400 N GLY A 104 -8.758 -0.890 -0.856 1.00 0.00 N ATOM 401 CA GLY A 104 -10.010 -1.264 -1.488 1.00 0.00 C ATOM 402 C GLY A 104 -10.652 -2.471 -0.834 1.00 0.00 C ATOM 403 O GLY A 104 -11.861 -2.488 -0.596 1.00 0.00 O ATOM 0 H GLY A 104 -8.035 -0.562 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.700 -0.422 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.832 -1.478 -2.542 1.00 0.00 H new ATOM 407 N LEU A 105 -9.844 -3.484 -0.543 1.00 0.00 N ATOM 408 CA LEU A 105 -10.341 -4.703 0.086 1.00 0.00 C ATOM 409 C LEU A 105 -10.909 -4.408 1.471 1.00 0.00 C ATOM 410 O LEU A 105 -12.068 -4.712 1.755 1.00 0.00 O ATOM 411 CB LEU A 105 -9.221 -5.739 0.192 1.00 0.00 C ATOM 412 CG LEU A 105 -8.510 -6.095 -1.114 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.152 -6.719 -0.830 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.367 -7.036 -1.948 1.00 0.00 C ATOM 0 H LEU A 105 -8.842 -3.486 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.141 -5.104 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.477 -5.370 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.637 -6.653 0.616 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.354 -5.178 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.661 -6.966 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.536 -6.012 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.285 -7.627 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.845 -7.279 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.555 -7.951 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.316 -6.553 -2.182 1.00 0.00 H new ATOM 426 N PHE A 106 -10.086 -3.812 2.327 1.00 0.00 N ATOM 427 CA PHE A 106 -10.507 -3.474 3.682 1.00 0.00 C ATOM 428 C PHE A 106 -11.929 -2.920 3.688 1.00 0.00 C ATOM 429 O PHE A 106 -12.750 -3.298 4.522 1.00 0.00 O ATOM 430 CB PHE A 106 -9.548 -2.453 4.297 1.00 0.00 C ATOM 431 CG PHE A 106 -8.206 -3.029 4.650 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.231 -3.194 3.679 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.919 -3.404 5.952 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.995 -3.723 4.000 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.685 -3.933 6.279 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.722 -4.094 5.302 1.00 0.00 C ATOM 0 H PHE A 106 -9.124 -3.553 2.107 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.488 -4.386 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.408 -1.630 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.002 -2.034 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.439 -2.906 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.668 -3.282 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.244 -3.846 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.474 -4.221 7.298 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.758 -4.509 5.556 1.00 0.00 H new ATOM 532 N LYS A 113 -8.513 -9.461 8.830 1.00 0.00 N ATOM 533 CA LYS A 113 -7.642 -10.532 9.299 1.00 0.00 C ATOM 534 C LYS A 113 -6.855 -11.139 8.142 1.00 0.00 C ATOM 535 O LYS A 113 -5.625 -11.182 8.171 1.00 0.00 O ATOM 536 CB LYS A 113 -8.466 -11.619 9.994 1.00 0.00 C ATOM 537 CG LYS A 113 -8.583 -11.425 11.496 1.00 0.00 C ATOM 538 CD LYS A 113 -9.924 -11.912 12.019 1.00 0.00 C ATOM 539 CE LYS A 113 -9.866 -13.377 12.424 1.00 0.00 C ATOM 540 NZ LYS A 113 -10.980 -13.744 13.340 1.00 0.00 N ATOM 0 HA LYS A 113 -6.936 -10.107 10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.465 -11.639 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.012 -12.590 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.779 -11.964 11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.459 -10.370 11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.222 -11.308 12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.686 -11.775 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.908 -14.002 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.913 -13.581 12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.905 -14.750 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.925 -13.165 14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.890 -13.573 12.866 1.00 0.00 H new ATOM 554 N HIS A 114 -7.572 -11.605 7.124 1.00 0.00 N ATOM 555 CA HIS A 114 -6.939 -12.207 5.956 1.00 0.00 C ATOM 556 C HIS A 114 -6.062 -11.192 5.229 1.00 0.00 C ATOM 557 O HIS A 114 -4.966 -11.517 4.772 1.00 0.00 O ATOM 558 CB HIS A 114 -8.000 -12.758 5.002 1.00 0.00 C ATOM 559 CG HIS A 114 -8.949 -11.716 4.496 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.014 -11.246 5.234 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.987 -11.051 3.317 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.668 -10.338 4.531 1.00 0.00 C ATOM 563 NE2 HIS A 114 -10.064 -10.201 3.364 1.00 0.00 N ATOM 0 H HIS A 114 -8.591 -11.577 7.084 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.307 -13.027 6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.504 -13.229 4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.567 -13.537 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.298 -11.168 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.546 -9.800 4.855 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.351 -9.567 2.619 1.00 0.00 H new ATOM 571 N LEU A 115 -6.553 -9.961 5.126 1.00 0.00 N ATOM 572 CA LEU A 115 -5.814 -8.897 4.454 1.00 0.00 C ATOM 573 C LEU A 115 -4.463 -8.665 5.123 1.00 0.00 C ATOM 574 O LEU A 115 -3.431 -8.606 4.455 1.00 0.00 O ATOM 575 CB LEU A 115 -6.628 -7.602 4.460 1.00 0.00 C ATOM 576 CG LEU A 115 -8.034 -7.690 3.865 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.783 -6.383 4.070 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.966 -8.042 2.386 1.00 0.00 C ATOM 0 H LEU A 115 -7.458 -9.675 5.499 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.640 -9.205 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.712 -7.254 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.070 -6.843 3.912 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.578 -8.481 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.781 -6.464 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.863 -6.173 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.242 -5.573 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.976 -8.100 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.404 -7.274 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.469 -9.004 2.264 1.00 0.00 H new ATOM 590 N TRP A 116 -4.478 -8.537 6.445 1.00 0.00 N ATOM 591 CA TRP A 116 -3.254 -8.314 7.205 1.00 0.00 C ATOM 592 C TRP A 116 -2.223 -9.398 6.908 1.00 0.00 C ATOM 593 O TRP A 116 -1.122 -9.108 6.442 1.00 0.00 O ATOM 594 CB TRP A 116 -3.558 -8.279 8.703 1.00 0.00 C ATOM 595 CG TRP A 116 -4.051 -6.946 9.179 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.168 -6.704 9.926 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.444 -5.672 8.938 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.292 -5.357 10.164 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.246 -4.702 9.569 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.299 -5.257 8.253 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.940 -3.344 9.533 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.996 -3.909 8.217 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.813 -2.966 8.854 1.00 0.00 C ATOM 0 H TRP A 116 -5.324 -8.584 7.013 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.839 -7.352 6.903 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.306 -9.038 8.932 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.656 -8.543 9.256 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.853 -7.461 10.278 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.041 -4.916 10.697 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.662 -5.977 7.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.569 -2.615 10.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.114 -3.577 7.689 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.548 -1.920 8.809 1.00 0.00 H new ATOM 614 N GLU A 117 -2.589 -10.646 7.180 1.00 0.00 N ATOM 615 CA GLU A 117 -1.694 -11.773 6.941 1.00 0.00 C ATOM 616 C GLU A 117 -1.156 -11.747 5.514 1.00 0.00 C ATOM 617 O GLU A 117 0.012 -12.050 5.275 1.00 0.00 O ATOM 618 CB GLU A 117 -2.421 -13.094 7.201 1.00 0.00 C ATOM 619 CG GLU A 117 -3.701 -13.253 6.396 1.00 0.00 C ATOM 620 CD GLU A 117 -4.294 -14.643 6.514 1.00 0.00 C ATOM 621 OE1 GLU A 117 -4.355 -15.170 7.644 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.699 -15.204 5.474 1.00 0.00 O ATOM 0 H GLU A 117 -3.498 -10.903 7.566 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.853 -11.689 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.750 -13.921 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.658 -13.166 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.433 -12.520 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.496 -13.037 5.347 1.00 0.00 H new ATOM 629 N GLN A 118 -2.019 -11.385 4.569 1.00 0.00 N ATOM 630 CA GLN A 118 -1.631 -11.321 3.165 1.00 0.00 C ATOM 631 C GLN A 118 -0.485 -10.336 2.961 1.00 0.00 C ATOM 632 O GLN A 118 0.565 -10.692 2.425 1.00 0.00 O ATOM 633 CB GLN A 118 -2.827 -10.918 2.301 1.00 0.00 C ATOM 634 CG GLN A 118 -3.651 -12.098 1.813 1.00 0.00 C ATOM 635 CD GLN A 118 -4.605 -11.722 0.697 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.234 -11.717 -0.477 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.843 -11.405 1.058 1.00 0.00 N ATOM 0 H GLN A 118 -2.990 -11.132 4.750 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.292 -12.312 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.469 -10.249 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.469 -10.355 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.981 -12.884 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.218 -12.510 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.107 -11.423 2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.530 -11.144 0.350 1.00 0.00 H new ATOM 646 N ILE A 119 -0.694 -9.096 3.390 1.00 0.00 N ATOM 647 CA ILE A 119 0.321 -8.059 3.255 1.00 0.00 C ATOM 648 C ILE A 119 1.689 -8.569 3.696 1.00 0.00 C ATOM 649 O ILE A 119 2.678 -8.423 2.978 1.00 0.00 O ATOM 650 CB ILE A 119 -0.038 -6.808 4.078 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.303 -6.150 3.522 1.00 0.00 C ATOM 652 CG2 ILE A 119 1.121 -5.823 4.079 1.00 0.00 C ATOM 653 CD1 ILE A 119 -1.957 -5.186 4.487 1.00 0.00 C ATOM 0 H ILE A 119 -1.558 -8.785 3.834 1.00 0.00 H new ATOM 0 HA ILE A 119 0.359 -7.790 2.199 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.231 -7.112 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.053 -5.619 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.020 -6.927 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.851 -4.944 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 119 2.000 -6.296 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.344 -5.522 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.847 -4.758 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.239 -5.717 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.257 -4.388 4.735 1.00 0.00 H new ATOM 665 N SER A 120 1.737 -9.169 4.881 1.00 0.00 N ATOM 666 CA SER A 120 2.984 -9.699 5.420 1.00 0.00 C ATOM 667 C SER A 120 3.663 -10.621 4.411 1.00 0.00 C ATOM 668 O SER A 120 4.857 -10.490 4.139 1.00 0.00 O ATOM 669 CB SER A 120 2.720 -10.457 6.722 1.00 0.00 C ATOM 670 OG SER A 120 3.851 -11.220 7.106 1.00 0.00 O ATOM 0 H SER A 120 0.927 -9.300 5.486 1.00 0.00 H new ATOM 0 HA SER A 120 3.649 -8.860 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.468 -9.751 7.513 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.860 -11.114 6.596 1.00 0.00 H new ATOM 0 HG SER A 120 4.421 -10.685 7.697 1.00 0.00 H new ATOM 676 N SER A 121 2.893 -11.553 3.859 1.00 0.00 N ATOM 677 CA SER A 121 3.420 -12.500 2.883 1.00 0.00 C ATOM 678 C SER A 121 4.112 -11.769 1.736 1.00 0.00 C ATOM 679 O SER A 121 5.210 -12.140 1.321 1.00 0.00 O ATOM 680 CB SER A 121 2.295 -13.380 2.336 1.00 0.00 C ATOM 681 OG SER A 121 1.824 -14.279 3.325 1.00 0.00 O ATOM 0 H SER A 121 1.902 -11.673 4.071 1.00 0.00 H new ATOM 0 HA SER A 121 4.154 -13.131 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.474 -12.752 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.654 -13.940 1.473 1.00 0.00 H new ATOM 0 HG SER A 121 1.104 -14.829 2.951 1.00 0.00 H new ATOM 687 N LYS A 122 3.462 -10.727 1.228 1.00 0.00 N ATOM 688 CA LYS A 122 4.013 -9.942 0.130 1.00 0.00 C ATOM 689 C LYS A 122 5.349 -9.320 0.523 1.00 0.00 C ATOM 690 O LYS A 122 6.239 -9.160 -0.312 1.00 0.00 O ATOM 691 CB LYS A 122 3.030 -8.844 -0.282 1.00 0.00 C ATOM 692 CG LYS A 122 2.034 -9.286 -1.341 1.00 0.00 C ATOM 693 CD LYS A 122 0.722 -8.529 -1.223 1.00 0.00 C ATOM 694 CE LYS A 122 -0.211 -9.185 -0.217 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.410 -8.346 0.057 1.00 0.00 N ATOM 0 H LYS A 122 2.552 -10.407 1.560 1.00 0.00 H new ATOM 0 HA LYS A 122 4.177 -10.611 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.485 -8.507 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.591 -7.988 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.460 -9.126 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.848 -10.356 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.920 -7.501 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.236 -8.487 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.527 -10.157 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.327 -9.364 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.488 -8.176 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.318 -7.437 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.262 -8.839 -0.278 1.00 0.00 H new ATOM 709 N MET A 123 5.483 -8.974 1.799 1.00 0.00 N ATOM 710 CA MET A 123 6.713 -8.372 2.302 1.00 0.00 C ATOM 711 C MET A 123 7.849 -9.390 2.318 1.00 0.00 C ATOM 712 O MET A 123 8.981 -9.078 1.947 1.00 0.00 O ATOM 713 CB MET A 123 6.494 -7.813 3.709 1.00 0.00 C ATOM 714 CG MET A 123 5.467 -6.694 3.765 1.00 0.00 C ATOM 715 SD MET A 123 5.493 -5.805 5.333 1.00 0.00 S ATOM 716 CE MET A 123 7.125 -5.070 5.278 1.00 0.00 C ATOM 0 H MET A 123 4.756 -9.100 2.503 1.00 0.00 H new ATOM 0 HA MET A 123 6.989 -7.556 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 123 6.175 -8.621 4.367 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.444 -7.443 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 123 5.654 -5.993 2.951 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.473 -7.110 3.604 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.133 -4.156 5.872 1.00 0.00 H new ATOM 0 HE2 MET A 123 7.854 -5.772 5.682 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.383 -4.833 4.246 1.00 0.00 H new ATOM 726 N ARG A 124 7.540 -10.609 2.749 1.00 0.00 N ATOM 727 CA ARG A 124 8.536 -11.672 2.815 1.00 0.00 C ATOM 728 C ARG A 124 9.061 -12.011 1.423 1.00 0.00 C ATOM 729 O ARG A 124 10.270 -12.093 1.209 1.00 0.00 O ATOM 730 CB ARG A 124 7.937 -12.921 3.464 1.00 0.00 C ATOM 731 CG ARG A 124 8.955 -13.766 4.212 1.00 0.00 C ATOM 732 CD ARG A 124 10.157 -14.091 3.340 1.00 0.00 C ATOM 733 NE ARG A 124 10.781 -15.357 3.718 1.00 0.00 N ATOM 734 CZ ARG A 124 11.951 -15.770 3.242 1.00 0.00 C ATOM 735 NH1 ARG A 124 12.620 -15.023 2.376 1.00 0.00 N ATOM 736 NH2 ARG A 124 12.453 -16.934 3.634 1.00 0.00 N ATOM 0 H ARG A 124 6.608 -10.885 3.058 1.00 0.00 H new ATOM 0 HA ARG A 124 9.369 -11.319 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.150 -12.619 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.467 -13.531 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 124 9.285 -13.235 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 124 8.486 -14.691 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.846 -14.138 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 124 10.890 -13.288 3.419 1.00 0.00 H new ATOM 0 HE ARG A 124 10.292 -15.956 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 124 12.237 -14.128 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 124 13.518 -15.343 2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.941 -17.512 4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 124 13.351 -17.251 3.269 1.00 0.00 H new ATOM 750 N GLU A 125 8.144 -12.207 0.481 1.00 0.00 N ATOM 751 CA GLU A 125 8.516 -12.538 -0.889 1.00 0.00 C ATOM 752 C GLU A 125 9.349 -11.422 -1.512 1.00 0.00 C ATOM 753 O GLU A 125 10.256 -11.677 -2.304 1.00 0.00 O ATOM 754 CB GLU A 125 7.265 -12.788 -1.734 1.00 0.00 C ATOM 755 CG GLU A 125 6.574 -11.514 -2.190 1.00 0.00 C ATOM 756 CD GLU A 125 5.585 -11.756 -3.314 1.00 0.00 C ATOM 757 OE1 GLU A 125 5.873 -12.606 -4.183 1.00 0.00 O ATOM 758 OE2 GLU A 125 4.525 -11.097 -3.325 1.00 0.00 O ATOM 0 H GLU A 125 7.139 -12.142 0.642 1.00 0.00 H new ATOM 0 HA GLU A 125 9.118 -13.447 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.540 -13.376 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.561 -13.387 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.054 -11.065 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.325 -10.796 -2.520 1.00 0.00 H new ATOM 765 N LYS A 126 9.034 -10.184 -1.148 1.00 0.00 N ATOM 766 CA LYS A 126 9.753 -9.027 -1.669 1.00 0.00 C ATOM 767 C LYS A 126 11.152 -8.939 -1.068 1.00 0.00 C ATOM 768 O LYS A 126 12.119 -8.636 -1.765 1.00 0.00 O ATOM 769 CB LYS A 126 8.976 -7.742 -1.371 1.00 0.00 C ATOM 770 CG LYS A 126 7.666 -7.632 -2.132 1.00 0.00 C ATOM 771 CD LYS A 126 7.880 -7.088 -3.535 1.00 0.00 C ATOM 772 CE LYS A 126 8.482 -8.139 -4.455 1.00 0.00 C ATOM 773 NZ LYS A 126 8.055 -7.948 -5.869 1.00 0.00 N ATOM 0 H LYS A 126 8.285 -9.956 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 126 9.848 -9.145 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.770 -7.692 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.602 -6.884 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.194 -8.613 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.982 -6.980 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.928 -6.748 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.538 -6.220 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 126 9.569 -8.095 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.184 -9.131 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.486 -8.684 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.019 -8.016 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.361 -7.011 -6.201 1.00 0.00 H new ATOM 787 N GLY A 127 11.251 -9.207 0.231 1.00 0.00 N ATOM 788 CA GLY A 127 12.536 -9.154 0.903 1.00 0.00 C ATOM 789 C GLY A 127 12.452 -8.488 2.262 1.00 0.00 C ATOM 790 O GLY A 127 13.371 -7.778 2.671 1.00 0.00 O ATOM 0 H GLY A 127 10.464 -9.460 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.923 -10.166 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.247 -8.612 0.279 1.00 0.00 H new ATOM 794 N PHE A 128 11.347 -8.717 2.964 1.00 0.00 N ATOM 795 CA PHE A 128 11.146 -8.132 4.284 1.00 0.00 C ATOM 796 C PHE A 128 10.441 -9.116 5.213 1.00 0.00 C ATOM 797 O PHE A 128 9.237 -9.345 5.094 1.00 0.00 O ATOM 798 CB PHE A 128 10.330 -6.842 4.175 1.00 0.00 C ATOM 799 CG PHE A 128 11.041 -5.743 3.439 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.308 -5.339 3.826 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.442 -5.114 2.359 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.966 -4.328 3.150 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.095 -4.103 1.679 1.00 0.00 C ATOM 804 CZ PHE A 128 12.358 -3.709 2.076 1.00 0.00 C ATOM 0 H PHE A 128 10.578 -9.303 2.641 1.00 0.00 H new ATOM 0 HA PHE A 128 12.125 -7.900 4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.389 -7.058 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.080 -6.494 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.788 -5.819 4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.454 -5.417 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.954 -4.023 3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.618 -3.622 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.869 -2.918 1.547 1.00 0.00 H new ATOM 814 N ASP A 129 11.199 -9.695 6.137 1.00 0.00 N ATOM 815 CA ASP A 129 10.648 -10.654 7.088 1.00 0.00 C ATOM 816 C ASP A 129 10.044 -9.940 8.292 1.00 0.00 C ATOM 817 O ASP A 129 10.757 -9.552 9.218 1.00 0.00 O ATOM 818 CB ASP A 129 11.734 -11.629 7.548 1.00 0.00 C ATOM 819 CG ASP A 129 12.852 -10.936 8.301 1.00 0.00 C ATOM 820 OD1 ASP A 129 13.412 -9.957 7.764 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.168 -11.372 9.428 1.00 0.00 O ATOM 0 H ASP A 129 12.197 -9.517 6.248 1.00 0.00 H new ATOM 0 HA ASP A 129 9.858 -11.213 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.287 -12.391 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.148 -12.143 6.681 1.00 0.00 H new ATOM 826 N ARG A 130 8.727 -9.768 8.272 1.00 0.00 N ATOM 827 CA ARG A 130 8.027 -9.098 9.362 1.00 0.00 C ATOM 828 C ARG A 130 6.721 -9.815 9.692 1.00 0.00 C ATOM 829 O ARG A 130 6.103 -10.431 8.824 1.00 0.00 O ATOM 830 CB ARG A 130 7.741 -7.641 8.993 1.00 0.00 C ATOM 831 CG ARG A 130 8.947 -6.727 9.141 1.00 0.00 C ATOM 832 CD ARG A 130 9.134 -6.280 10.582 1.00 0.00 C ATOM 833 NE ARG A 130 9.957 -7.215 11.344 1.00 0.00 N ATOM 834 CZ ARG A 130 10.477 -6.937 12.534 1.00 0.00 C ATOM 835 NH1 ARG A 130 10.258 -5.756 13.096 1.00 0.00 N ATOM 836 NH2 ARG A 130 11.216 -7.840 13.165 1.00 0.00 N ATOM 0 H ARG A 130 8.123 -10.083 7.513 1.00 0.00 H new ATOM 0 HA ARG A 130 8.669 -9.124 10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.388 -7.599 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.933 -7.267 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.843 -7.247 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.823 -5.853 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 130 9.597 -5.293 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.159 -6.182 11.060 1.00 0.00 H new ATOM 0 HE ARG A 130 10.143 -8.133 10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.689 -5.060 12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.658 -5.544 14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.386 -8.750 12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.614 -7.624 14.079 1.00 0.00 H new ATOM 850 N SER A 131 6.308 -9.731 10.953 1.00 0.00 N ATOM 851 CA SER A 131 5.079 -10.376 11.399 1.00 0.00 C ATOM 852 C SER A 131 3.855 -9.588 10.942 1.00 0.00 C ATOM 853 O SER A 131 3.917 -8.383 10.695 1.00 0.00 O ATOM 854 CB SER A 131 5.073 -10.510 12.923 1.00 0.00 C ATOM 855 OG SER A 131 6.004 -11.488 13.353 1.00 0.00 O ATOM 0 H SER A 131 6.807 -9.223 11.683 1.00 0.00 H new ATOM 0 HA SER A 131 5.037 -11.370 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.315 -9.549 13.377 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.073 -10.780 13.263 1.00 0.00 H new ATOM 0 HG SER A 131 5.982 -11.553 14.331 1.00 0.00 H new ATOM 861 N PRO A 132 2.715 -10.284 10.825 1.00 0.00 N ATOM 862 CA PRO A 132 1.454 -9.670 10.397 1.00 0.00 C ATOM 863 C PRO A 132 0.884 -8.723 11.447 1.00 0.00 C ATOM 864 O PRO A 132 0.347 -7.665 11.119 1.00 0.00 O ATOM 865 CB PRO A 132 0.525 -10.871 10.198 1.00 0.00 C ATOM 866 CG PRO A 132 1.078 -11.929 11.089 1.00 0.00 C ATOM 867 CD PRO A 132 2.567 -11.722 11.102 1.00 0.00 C ATOM 0 HA PRO A 132 1.581 -9.059 9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.503 -10.625 10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.515 -11.195 9.157 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.664 -11.849 12.094 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.825 -12.923 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.002 -11.992 12.064 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.064 -12.330 10.346 1.00 0.00 H new ATOM 875 N THR A 133 1.004 -9.110 12.714 1.00 0.00 N ATOM 876 CA THR A 133 0.500 -8.296 13.813 1.00 0.00 C ATOM 877 C THR A 133 1.254 -6.975 13.909 1.00 0.00 C ATOM 878 O THR A 133 0.689 -5.954 14.299 1.00 0.00 O ATOM 879 CB THR A 133 0.612 -9.037 15.158 1.00 0.00 C ATOM 880 OG1 THR A 133 1.729 -9.933 15.132 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.661 -9.815 15.456 1.00 0.00 C ATOM 0 H THR A 133 1.446 -9.982 13.004 1.00 0.00 H new ATOM 0 HA THR A 133 -0.551 -8.097 13.603 1.00 0.00 H new ATOM 0 HB THR A 133 0.758 -8.296 15.944 1.00 0.00 H new ATOM 0 HG1 THR A 133 1.794 -10.399 15.992 1.00 0.00 H new ATOM 0 HG21 THR A 133 -0.558 -10.330 16.411 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.505 -9.127 15.504 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.834 -10.546 14.666 1.00 0.00 H new ATOM 889 N MET A 134 2.533 -7.002 13.549 1.00 0.00 N ATOM 890 CA MET A 134 3.364 -5.804 13.594 1.00 0.00 C ATOM 891 C MET A 134 2.855 -4.752 12.613 1.00 0.00 C ATOM 892 O MET A 134 2.738 -3.575 12.956 1.00 0.00 O ATOM 893 CB MET A 134 4.819 -6.154 13.275 1.00 0.00 C ATOM 894 CG MET A 134 5.457 -7.085 14.293 1.00 0.00 C ATOM 895 SD MET A 134 6.277 -6.195 15.629 1.00 0.00 S ATOM 896 CE MET A 134 4.879 -5.390 16.407 1.00 0.00 C ATOM 0 H MET A 134 3.016 -7.839 13.223 1.00 0.00 H new ATOM 0 HA MET A 134 3.310 -5.392 14.602 1.00 0.00 H new ATOM 0 HB2 MET A 134 4.865 -6.619 12.290 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.402 -5.234 13.220 1.00 0.00 H new ATOM 0 HG2 MET A 134 4.692 -7.738 14.713 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.181 -7.726 13.790 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.127 -5.150 17.441 1.00 0.00 H new ATOM 0 HE2 MET A 134 4.641 -4.473 15.868 1.00 0.00 H new ATOM 0 HE3 MET A 134 4.017 -6.057 16.386 1.00 0.00 H new ATOM 906 N CYS A 135 2.554 -5.184 11.393 1.00 0.00 N ATOM 907 CA CYS A 135 2.059 -4.279 10.362 1.00 0.00 C ATOM 908 C CYS A 135 0.711 -3.686 10.761 1.00 0.00 C ATOM 909 O CYS A 135 0.446 -2.506 10.529 1.00 0.00 O ATOM 910 CB CYS A 135 1.931 -5.014 9.027 1.00 0.00 C ATOM 911 SG CYS A 135 3.467 -5.776 8.454 1.00 0.00 S ATOM 0 H CYS A 135 2.644 -6.155 11.094 1.00 0.00 H new ATOM 0 HA CYS A 135 2.776 -3.465 10.253 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.168 -5.787 9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.582 -4.312 8.270 1.00 0.00 H new ATOM 0 HG CYS A 135 3.751 -6.798 9.206 1.00 0.00 H new ATOM 917 N THR A 136 -0.139 -4.513 11.363 1.00 0.00 N ATOM 918 CA THR A 136 -1.460 -4.072 11.791 1.00 0.00 C ATOM 919 C THR A 136 -1.360 -2.894 12.755 1.00 0.00 C ATOM 920 O THR A 136 -1.909 -1.823 12.499 1.00 0.00 O ATOM 921 CB THR A 136 -2.240 -5.213 12.472 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.468 -6.274 11.538 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.570 -4.711 13.013 1.00 0.00 C ATOM 0 H THR A 136 0.065 -5.492 11.565 1.00 0.00 H new ATOM 0 HA THR A 136 -1.996 -3.761 10.894 1.00 0.00 H new ATOM 0 HB THR A 136 -1.645 -5.585 13.306 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.198 -6.026 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 136 -4.103 -5.534 13.489 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.391 -3.923 13.744 1.00 0.00 H new ATOM 0 HG23 THR A 136 -4.170 -4.316 12.193 1.00 0.00 H new ATOM 931 N ASP A 137 -0.657 -3.100 13.863 1.00 0.00 N ATOM 932 CA ASP A 137 -0.484 -2.055 14.864 1.00 0.00 C ATOM 933 C ASP A 137 0.275 -0.866 14.283 1.00 0.00 C ATOM 934 O ASP A 137 -0.133 0.285 14.444 1.00 0.00 O ATOM 935 CB ASP A 137 0.260 -2.604 16.082 1.00 0.00 C ATOM 936 CG ASP A 137 -0.052 -1.830 17.348 1.00 0.00 C ATOM 937 OD1 ASP A 137 -1.169 -1.993 17.884 1.00 0.00 O ATOM 938 OD2 ASP A 137 0.821 -1.062 17.805 1.00 0.00 O ATOM 0 H ASP A 137 -0.198 -3.982 14.090 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.473 -1.716 15.174 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -0.006 -3.651 16.225 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.333 -2.570 15.894 1.00 0.00 H new ATOM 943 N LYS A 138 1.382 -1.150 13.606 1.00 0.00 N ATOM 944 CA LYS A 138 2.199 -0.106 12.999 1.00 0.00 C ATOM 945 C LYS A 138 1.350 0.809 12.123 1.00 0.00 C ATOM 946 O LYS A 138 1.443 2.033 12.214 1.00 0.00 O ATOM 947 CB LYS A 138 3.324 -0.727 12.168 1.00 0.00 C ATOM 948 CG LYS A 138 4.068 0.277 11.305 1.00 0.00 C ATOM 949 CD LYS A 138 4.830 1.283 12.151 1.00 0.00 C ATOM 950 CE LYS A 138 5.795 2.103 11.308 1.00 0.00 C ATOM 951 NZ LYS A 138 6.860 1.256 10.702 1.00 0.00 N ATOM 0 H LYS A 138 1.735 -2.096 13.464 1.00 0.00 H new ATOM 0 HA LYS A 138 2.635 0.490 13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.033 -1.214 12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 138 2.905 -1.504 11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.762 -0.249 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.360 0.802 10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.125 1.948 12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.382 0.760 12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.244 2.614 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.253 2.874 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.638 1.861 10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 7.221 0.589 11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.466 0.725 9.899 1.00 0.00 H new ATOM 965 N TRP A 139 0.522 0.207 11.276 1.00 0.00 N ATOM 966 CA TRP A 139 -0.345 0.969 10.384 1.00 0.00 C ATOM 967 C TRP A 139 -1.212 1.946 11.170 1.00 0.00 C ATOM 968 O TRP A 139 -1.242 3.140 10.874 1.00 0.00 O ATOM 969 CB TRP A 139 -1.229 0.024 9.569 1.00 0.00 C ATOM 970 CG TRP A 139 -2.217 0.738 8.697 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.572 0.780 8.857 1.00 0.00 C ATOM 972 CD2 TRP A 139 -1.925 1.511 7.528 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.141 1.533 7.858 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.151 1.993 7.030 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.747 1.845 6.854 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.230 2.789 5.890 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -0.827 2.634 5.723 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.061 3.100 5.251 1.00 0.00 C ATOM 0 H TRP A 139 0.433 -0.805 11.188 1.00 0.00 H new ATOM 0 HA TRP A 139 0.287 1.540 9.704 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.596 -0.608 8.946 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.767 -0.636 10.250 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.117 0.293 9.652 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.138 1.719 7.750 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.209 1.492 7.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.180 3.148 5.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 0.077 2.896 5.194 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.090 3.717 4.365 1.00 0.00 H new ATOM 989 N ARG A 140 -1.915 1.431 12.173 1.00 0.00 N ATOM 990 CA ARG A 140 -2.783 2.259 13.002 1.00 0.00 C ATOM 991 C ARG A 140 -2.054 3.516 13.466 1.00 0.00 C ATOM 992 O ARG A 140 -2.630 4.603 13.498 1.00 0.00 O ATOM 993 CB ARG A 140 -3.276 1.465 14.213 1.00 0.00 C ATOM 994 CG ARG A 140 -4.546 0.674 13.947 1.00 0.00 C ATOM 995 CD ARG A 140 -5.070 0.019 15.215 1.00 0.00 C ATOM 996 NE ARG A 140 -6.216 -0.848 14.951 1.00 0.00 N ATOM 997 CZ ARG A 140 -7.050 -1.271 15.893 1.00 0.00 C ATOM 998 NH1 ARG A 140 -6.869 -0.909 17.156 1.00 0.00 N ATOM 999 NH2 ARG A 140 -8.070 -2.058 15.574 1.00 0.00 N ATOM 0 H ARG A 140 -1.901 0.444 12.431 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.641 2.559 12.400 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.491 0.779 14.531 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.453 2.153 15.040 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.309 1.336 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.349 -0.091 13.196 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -4.274 -0.564 15.677 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -5.356 0.791 15.930 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.384 -1.145 13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.087 -0.304 17.406 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.512 -1.236 17.877 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.214 -2.339 14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.710 -2.382 16.299 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.784 3.359 13.826 1.00 0.00 N ATOM 1014 CA ASN A 141 0.023 4.481 14.290 1.00 0.00 C ATOM 1015 C ASN A 141 0.190 5.524 13.188 1.00 0.00 C ATOM 1016 O ASN A 141 0.013 6.721 13.419 1.00 0.00 O ATOM 1017 CB ASN A 141 1.396 3.991 14.755 1.00 0.00 C ATOM 1018 CG ASN A 141 2.001 4.889 15.816 1.00 0.00 C ATOM 1019 OD1 ASN A 141 1.327 5.760 16.367 1.00 0.00 O ATOM 1020 ND2 ASN A 141 3.280 4.682 16.108 1.00 0.00 N ATOM 0 H ASN A 141 -0.292 2.466 13.805 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.494 4.945 15.130 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.303 2.979 15.149 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.069 3.939 13.899 1.00 0.00 H new ATOM 0 HD21 ASN A 141 3.741 5.256 16.814 1.00 0.00 H new ATOM 0 HD22 ASN A 141 3.801 3.949 15.627 1.00 0.00 H new ATOM 1027 N LEU A 142 0.530 5.061 11.990 1.00 0.00 N ATOM 1028 CA LEU A 142 0.720 5.953 10.851 1.00 0.00 C ATOM 1029 C LEU A 142 -0.496 6.853 10.656 1.00 0.00 C ATOM 1030 O LEU A 142 -0.361 8.058 10.442 1.00 0.00 O ATOM 1031 CB LEU A 142 0.978 5.141 9.581 1.00 0.00 C ATOM 1032 CG LEU A 142 2.337 4.446 9.493 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.301 3.331 8.459 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.430 5.451 9.158 1.00 0.00 C ATOM 0 H LEU A 142 0.680 4.074 11.782 1.00 0.00 H new ATOM 0 HA LEU A 142 1.586 6.583 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.199 4.384 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.876 5.805 8.722 1.00 0.00 H new ATOM 0 HG LEU A 142 2.561 4.006 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.277 2.848 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.546 2.597 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.054 3.748 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.390 4.938 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.211 5.921 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.473 6.214 9.935 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.682 6.260 10.732 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.923 7.008 10.566 1.00 0.00 C ATOM 1048 C LEU A 143 -3.020 8.136 11.588 1.00 0.00 C ATOM 1049 O LEU A 143 -3.278 9.287 11.236 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.127 6.074 10.704 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.063 4.773 9.903 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.227 3.864 10.267 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.059 5.066 8.410 1.00 0.00 C ATOM 0 H LEU A 143 -1.811 5.263 10.907 1.00 0.00 H new ATOM 0 HA LEU A 143 -2.923 7.446 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.248 5.823 11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.021 6.619 10.402 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.135 4.259 10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.165 2.943 9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.185 3.627 11.330 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.167 4.370 10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.013 4.129 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -4.969 5.602 8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.192 5.677 8.162 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.810 7.798 12.856 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.870 8.782 13.931 1.00 0.00 C ATOM 1067 C LYS A 144 -2.051 10.020 13.581 1.00 0.00 C ATOM 1068 O LYS A 144 -2.494 11.148 13.794 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.360 8.171 15.238 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.473 9.105 16.430 1.00 0.00 C ATOM 1071 CD LYS A 144 -3.831 8.988 17.103 1.00 0.00 C ATOM 1072 CE LYS A 144 -3.918 7.739 17.968 1.00 0.00 C ATOM 1073 NZ LYS A 144 -5.329 7.377 18.278 1.00 0.00 N ATOM 0 H LYS A 144 -2.597 6.849 13.165 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.910 9.081 14.059 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.921 7.260 15.447 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.317 7.882 15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -1.688 8.874 17.150 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.315 10.133 16.104 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.011 9.870 17.717 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.613 8.962 16.344 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -3.434 6.908 17.455 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -3.372 7.902 18.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.346 6.521 18.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.784 8.160 18.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.844 7.197 17.392 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.855 9.800 13.043 1.00 0.00 N ATOM 1088 CA GLU A 145 0.025 10.900 12.664 1.00 0.00 C ATOM 1089 C GLU A 145 -0.484 11.595 11.405 1.00 0.00 C ATOM 1090 O GLU A 145 -0.514 12.823 11.329 1.00 0.00 O ATOM 1091 CB GLU A 145 1.449 10.387 12.437 1.00 0.00 C ATOM 1092 CG GLU A 145 2.026 9.644 13.630 1.00 0.00 C ATOM 1093 CD GLU A 145 2.363 10.566 14.785 1.00 0.00 C ATOM 1094 OE1 GLU A 145 1.504 11.395 15.153 1.00 0.00 O ATOM 1095 OE2 GLU A 145 3.485 10.459 15.321 1.00 0.00 O ATOM 0 H GLU A 145 -0.474 8.872 12.860 1.00 0.00 H new ATOM 0 HA GLU A 145 0.032 11.624 13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.454 9.725 11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 145 2.096 11.231 12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.311 8.893 13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.925 9.111 13.321 1.00 0.00 H new