USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=13 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 81:sc= 1.02 USER MOD Set 1.2: A 138 LYS NZ :NH3+ 148:sc= -2.59 (180deg=-3.21) USER MOD Single : A 89 GLN : amide:sc= -0.713 K(o=-0.71,f=-7.6!) USER MOD Single : A 94 SER OG : rot -48:sc= 0.0732 USER MOD Single : A 97 MET CE :methyl 162:sc= -0.0795 (180deg=-0.499) USER MOD Single : A 102 MET CE :methyl 156:sc= -1.33 (180deg=-2.62!) USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= -0.0571 (180deg=-0.408) USER MOD Single : A 114 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-4.1!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 160:sc= -0.176 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -120:sc= 0 (180deg=-0.00925) 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= 0.00262 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 CYS SG : rot 76:sc= -0.0491 USER MOD Single : A 136 THR OG1 : rot -41:sc= 0.0216 USER MOD Single : A 141 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.889 0.242 12.071 1.00 0.00 N ATOM 109 CA TRP A 87 11.576 0.157 10.649 1.00 0.00 C ATOM 110 C TRP A 87 12.337 1.217 9.860 1.00 0.00 C ATOM 111 O TRP A 87 12.484 2.353 10.309 1.00 0.00 O ATOM 112 CB TRP A 87 10.071 0.321 10.427 1.00 0.00 C ATOM 113 CG TRP A 87 9.263 -0.817 10.975 1.00 0.00 C ATOM 114 CD1 TRP A 87 9.228 -1.248 12.270 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.376 -1.668 10.242 1.00 0.00 C ATOM 116 NE1 TRP A 87 8.372 -2.316 12.387 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.836 -2.593 11.157 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.983 -1.738 8.903 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.926 -3.575 10.773 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.080 -2.713 8.523 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.559 -3.620 9.456 1.00 0.00 C ATOM 0 HA TRP A 87 11.884 -0.826 10.292 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.741 1.249 10.893 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.876 0.414 9.359 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.791 -0.813 13.083 1.00 0.00 H new ATOM 0 HE1 TRP A 87 8.168 -2.821 13.250 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.378 -1.042 8.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.524 -4.276 11.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.771 -2.777 7.490 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.854 -4.369 9.129 1.00 0.00 H new ATOM 132 N VAL A 88 12.819 0.837 8.681 1.00 0.00 N ATOM 133 CA VAL A 88 13.564 1.756 7.828 1.00 0.00 C ATOM 134 C VAL A 88 12.665 2.365 6.759 1.00 0.00 C ATOM 135 O VAL A 88 11.538 1.915 6.552 1.00 0.00 O ATOM 136 CB VAL A 88 14.750 1.050 7.144 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.697 0.469 8.183 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.252 -0.034 6.200 1.00 0.00 C ATOM 0 H VAL A 88 12.707 -0.100 8.295 1.00 0.00 H new ATOM 0 HA VAL A 88 13.945 2.548 8.473 1.00 0.00 H new ATOM 0 HB VAL A 88 15.300 1.786 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.529 -0.026 7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.080 1.270 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.162 -0.255 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.103 -0.522 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.678 -0.771 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.617 0.413 5.435 1.00 0.00 H new ATOM 148 N GLN A 89 13.170 3.392 6.083 1.00 0.00 N ATOM 149 CA GLN A 89 12.411 4.064 5.035 1.00 0.00 C ATOM 150 C GLN A 89 11.971 3.073 3.962 1.00 0.00 C ATOM 151 O GLN A 89 10.910 3.229 3.357 1.00 0.00 O ATOM 152 CB GLN A 89 13.248 5.178 4.405 1.00 0.00 C ATOM 153 CG GLN A 89 14.467 4.672 3.650 1.00 0.00 C ATOM 154 CD GLN A 89 15.688 4.535 4.538 1.00 0.00 C ATOM 155 OE1 GLN A 89 15.771 3.625 5.363 1.00 0.00 O ATOM 156 NE2 GLN A 89 16.644 5.442 4.374 1.00 0.00 N ATOM 0 H GLN A 89 14.101 3.777 6.242 1.00 0.00 H new ATOM 0 HA GLN A 89 11.521 4.500 5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.620 5.751 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.574 5.863 5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.237 3.705 3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.692 5.356 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.533 6.179 3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.489 5.401 4.944 1.00 0.00 H new ATOM 165 N ASP A 90 12.793 2.055 3.731 1.00 0.00 N ATOM 166 CA ASP A 90 12.488 1.038 2.731 1.00 0.00 C ATOM 167 C ASP A 90 11.287 0.200 3.158 1.00 0.00 C ATOM 168 O ASP A 90 10.251 0.199 2.493 1.00 0.00 O ATOM 169 CB ASP A 90 13.701 0.136 2.504 1.00 0.00 C ATOM 170 CG ASP A 90 14.898 0.898 1.971 1.00 0.00 C ATOM 171 OD1 ASP A 90 14.692 1.923 1.289 1.00 0.00 O ATOM 172 OD2 ASP A 90 16.041 0.468 2.234 1.00 0.00 O ATOM 0 H ASP A 90 13.675 1.912 4.222 1.00 0.00 H new ATOM 0 HA ASP A 90 12.242 1.543 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.971 -0.348 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.436 -0.655 1.802 1.00 0.00 H new ATOM 177 N GLU A 91 11.435 -0.514 4.270 1.00 0.00 N ATOM 178 CA GLU A 91 10.362 -1.358 4.783 1.00 0.00 C ATOM 179 C GLU A 91 9.089 -0.546 5.002 1.00 0.00 C ATOM 180 O GLU A 91 8.038 -0.853 4.438 1.00 0.00 O ATOM 181 CB GLU A 91 10.789 -2.022 6.093 1.00 0.00 C ATOM 182 CG GLU A 91 11.775 -3.162 5.905 1.00 0.00 C ATOM 183 CD GLU A 91 13.174 -2.675 5.580 1.00 0.00 C ATOM 184 OE1 GLU A 91 13.385 -2.187 4.450 1.00 0.00 O ATOM 185 OE2 GLU A 91 14.058 -2.783 6.456 1.00 0.00 O ATOM 0 H GLU A 91 12.286 -0.525 4.832 1.00 0.00 H new ATOM 0 HA GLU A 91 10.156 -2.131 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.236 -1.270 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.904 -2.399 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.806 -3.764 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.425 -3.812 5.103 1.00 0.00 H new ATOM 192 N THR A 92 9.190 0.492 5.827 1.00 0.00 N ATOM 193 CA THR A 92 8.048 1.347 6.123 1.00 0.00 C ATOM 194 C THR A 92 7.247 1.652 4.862 1.00 0.00 C ATOM 195 O THR A 92 6.031 1.462 4.827 1.00 0.00 O ATOM 196 CB THR A 92 8.491 2.673 6.769 1.00 0.00 C ATOM 197 OG1 THR A 92 9.236 2.411 7.964 1.00 0.00 O ATOM 198 CG2 THR A 92 7.288 3.544 7.097 1.00 0.00 C ATOM 0 H THR A 92 10.052 0.760 6.302 1.00 0.00 H new ATOM 0 HA THR A 92 7.419 0.801 6.826 1.00 0.00 H new ATOM 0 HB THR A 92 9.122 3.205 6.057 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.162 2.189 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.626 4.475 7.552 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.739 3.766 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.635 3.016 7.792 1.00 0.00 H new ATOM 206 N ARG A 93 7.937 2.124 3.829 1.00 0.00 N ATOM 207 CA ARG A 93 7.289 2.456 2.566 1.00 0.00 C ATOM 208 C ARG A 93 6.636 1.223 1.950 1.00 0.00 C ATOM 209 O ARG A 93 5.453 1.239 1.610 1.00 0.00 O ATOM 210 CB ARG A 93 8.305 3.050 1.588 1.00 0.00 C ATOM 211 CG ARG A 93 7.694 4.021 0.591 1.00 0.00 C ATOM 212 CD ARG A 93 7.272 5.318 1.263 1.00 0.00 C ATOM 213 NE ARG A 93 7.224 6.432 0.320 1.00 0.00 N ATOM 214 CZ ARG A 93 7.331 7.706 0.682 1.00 0.00 C ATOM 215 NH1 ARG A 93 7.490 8.025 1.959 1.00 0.00 N ATOM 216 NH2 ARG A 93 7.278 8.664 -0.235 1.00 0.00 N ATOM 0 H ARG A 93 8.944 2.285 3.842 1.00 0.00 H new ATOM 0 HA ARG A 93 6.513 3.195 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.083 3.564 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.789 2.240 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.415 4.236 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.829 3.559 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.291 5.187 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.969 5.553 2.067 1.00 0.00 H new ATOM 0 HE ARG A 93 7.102 6.221 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.531 7.292 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.572 9.004 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.155 8.422 -1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.360 9.642 0.044 1.00 0.00 H new ATOM 230 N SER A 94 7.414 0.154 1.809 1.00 0.00 N ATOM 231 CA SER A 94 6.912 -1.086 1.230 1.00 0.00 C ATOM 232 C SER A 94 5.544 -1.439 1.805 1.00 0.00 C ATOM 233 O SER A 94 4.628 -1.815 1.072 1.00 0.00 O ATOM 234 CB SER A 94 7.897 -2.229 1.488 1.00 0.00 C ATOM 235 OG SER A 94 7.694 -3.293 0.574 1.00 0.00 O ATOM 0 H SER A 94 8.395 0.122 2.088 1.00 0.00 H new ATOM 0 HA SER A 94 6.808 -0.941 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.919 -1.860 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.777 -2.594 2.508 1.00 0.00 H new ATOM 0 HG SER A 94 6.739 -3.508 0.529 1.00 0.00 H new ATOM 241 N LEU A 95 5.412 -1.316 3.121 1.00 0.00 N ATOM 242 CA LEU A 95 4.155 -1.621 3.796 1.00 0.00 C ATOM 243 C LEU A 95 3.070 -0.625 3.402 1.00 0.00 C ATOM 244 O LEU A 95 2.036 -1.004 2.850 1.00 0.00 O ATOM 245 CB LEU A 95 4.352 -1.606 5.313 1.00 0.00 C ATOM 246 CG LEU A 95 3.076 -1.579 6.154 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.236 -2.820 5.892 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.415 -1.466 7.634 1.00 0.00 C ATOM 0 H LEU A 95 6.160 -1.007 3.742 1.00 0.00 H new ATOM 0 HA LEU A 95 3.837 -2.617 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.930 -2.487 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.953 -0.735 5.573 1.00 0.00 H new ATOM 0 HG LEU A 95 2.493 -0.704 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.332 -2.782 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.963 -2.859 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.810 -3.709 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.495 -1.448 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.019 -2.322 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.974 -0.547 7.810 1.00 0.00 H new ATOM 260 N ILE A 96 3.312 0.650 3.688 1.00 0.00 N ATOM 261 CA ILE A 96 2.356 1.701 3.361 1.00 0.00 C ATOM 262 C ILE A 96 1.696 1.442 2.010 1.00 0.00 C ATOM 263 O ILE A 96 0.471 1.438 1.898 1.00 0.00 O ATOM 264 CB ILE A 96 3.030 3.085 3.334 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.618 3.417 4.706 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.031 4.151 2.908 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.631 4.540 4.674 1.00 0.00 C ATOM 0 H ILE A 96 4.162 0.980 4.145 1.00 0.00 H new ATOM 0 HA ILE A 96 1.596 1.691 4.142 1.00 0.00 H new ATOM 0 HB ILE A 96 3.842 3.064 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.808 3.688 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.090 2.524 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.522 5.124 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.655 3.919 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.200 4.174 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.006 4.721 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.460 4.264 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.158 5.446 4.295 1.00 0.00 H new ATOM 279 N MET A 97 2.517 1.225 0.988 1.00 0.00 N ATOM 280 CA MET A 97 2.013 0.963 -0.355 1.00 0.00 C ATOM 281 C MET A 97 1.047 -0.219 -0.351 1.00 0.00 C ATOM 282 O MET A 97 -0.123 -0.077 -0.706 1.00 0.00 O ATOM 283 CB MET A 97 3.172 0.686 -1.313 1.00 0.00 C ATOM 284 CG MET A 97 3.955 1.931 -1.695 1.00 0.00 C ATOM 285 SD MET A 97 5.302 1.581 -2.842 1.00 0.00 S ATOM 286 CE MET A 97 4.386 1.071 -4.294 1.00 0.00 C ATOM 0 H MET A 97 3.534 1.225 1.064 1.00 0.00 H new ATOM 0 HA MET A 97 1.476 1.849 -0.694 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.850 -0.032 -0.852 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.781 0.220 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.278 2.657 -2.146 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.361 2.391 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.032 1.129 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.041 0.045 -4.165 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.527 1.728 -4.432 1.00 0.00 H new ATOM 296 N PHE A 98 1.545 -1.383 0.051 1.00 0.00 N ATOM 297 CA PHE A 98 0.727 -2.589 0.099 1.00 0.00 C ATOM 298 C PHE A 98 -0.606 -2.314 0.788 1.00 0.00 C ATOM 299 O PHE A 98 -1.659 -2.753 0.325 1.00 0.00 O ATOM 300 CB PHE A 98 1.471 -3.707 0.832 1.00 0.00 C ATOM 301 CG PHE A 98 2.542 -4.358 0.003 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.256 -4.846 -1.262 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.834 -4.480 0.489 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.240 -5.446 -2.026 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.821 -5.079 -0.271 1.00 0.00 C ATOM 306 CZ PHE A 98 4.524 -5.561 -1.531 1.00 0.00 C ATOM 0 H PHE A 98 2.511 -1.517 0.348 1.00 0.00 H new ATOM 0 HA PHE A 98 0.529 -2.905 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.921 -3.300 1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.754 -4.466 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.254 -4.757 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.072 -4.103 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.004 -5.825 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.824 -5.170 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.294 -6.027 -2.128 1.00 0.00 H new ATOM 316 N ARG A 99 -0.553 -1.585 1.898 1.00 0.00 N ATOM 317 CA ARG A 99 -1.755 -1.252 2.652 1.00 0.00 C ATOM 318 C ARG A 99 -2.671 -0.340 1.842 1.00 0.00 C ATOM 319 O ARG A 99 -3.892 -0.499 1.855 1.00 0.00 O ATOM 320 CB ARG A 99 -1.384 -0.576 3.974 1.00 0.00 C ATOM 321 CG ARG A 99 -2.585 -0.221 4.835 1.00 0.00 C ATOM 322 CD ARG A 99 -3.207 -1.458 5.462 1.00 0.00 C ATOM 323 NE ARG A 99 -4.324 -1.124 6.340 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.566 -0.933 5.909 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.848 -1.044 4.619 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.530 -0.632 6.771 1.00 0.00 N ATOM 0 H ARG A 99 0.310 -1.214 2.295 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.288 -2.179 2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.726 -1.237 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.819 0.332 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.279 0.471 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.330 0.294 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.553 -2.128 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.448 -1.997 6.030 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.141 -1.032 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.110 -1.277 3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.803 -0.897 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.317 -0.547 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.483 -0.485 6.439 1.00 0.00 H new ATOM 340 N ARG A 100 -2.073 0.616 1.138 1.00 0.00 N ATOM 341 CA ARG A 100 -2.835 1.554 0.323 1.00 0.00 C ATOM 342 C ARG A 100 -3.521 0.836 -0.835 1.00 0.00 C ATOM 343 O ARG A 100 -4.698 1.064 -1.110 1.00 0.00 O ATOM 344 CB ARG A 100 -1.919 2.655 -0.216 1.00 0.00 C ATOM 345 CG ARG A 100 -1.474 3.650 0.843 1.00 0.00 C ATOM 346 CD ARG A 100 -0.610 4.750 0.246 1.00 0.00 C ATOM 347 NE ARG A 100 -0.696 5.990 1.012 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.444 7.190 0.500 1.00 0.00 C ATOM 349 NH1 ARG A 100 -0.093 7.310 -0.772 1.00 0.00 N ATOM 350 NH2 ARG A 100 -0.544 8.272 1.261 1.00 0.00 N ATOM 0 H ARG A 100 -1.064 0.761 1.116 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.602 2.005 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.038 2.196 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.438 3.191 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.349 4.092 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.916 3.129 1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.427 4.417 0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.920 4.937 -0.782 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.964 5.932 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.016 6.480 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.100 8.232 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.815 8.183 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.350 9.193 0.867 1.00 0.00 H new ATOM 364 N GLY A 101 -2.775 -0.032 -1.512 1.00 0.00 N ATOM 365 CA GLY A 101 -3.328 -0.769 -2.633 1.00 0.00 C ATOM 366 C GLY A 101 -4.385 -1.768 -2.205 1.00 0.00 C ATOM 367 O GLY A 101 -5.369 -1.982 -2.913 1.00 0.00 O ATOM 0 H GLY A 101 -1.798 -0.238 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.762 -0.068 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.525 -1.294 -3.151 1.00 0.00 H new ATOM 371 N MET A 102 -4.181 -2.382 -1.044 1.00 0.00 N ATOM 372 CA MET A 102 -5.125 -3.364 -0.524 1.00 0.00 C ATOM 373 C MET A 102 -6.281 -2.679 0.197 1.00 0.00 C ATOM 374 O MET A 102 -7.354 -3.260 0.363 1.00 0.00 O ATOM 375 CB MET A 102 -4.416 -4.330 0.428 1.00 0.00 C ATOM 376 CG MET A 102 -3.714 -5.477 -0.282 1.00 0.00 C ATOM 377 SD MET A 102 -3.137 -6.749 0.858 1.00 0.00 S ATOM 378 CE MET A 102 -4.676 -7.228 1.638 1.00 0.00 C ATOM 0 H MET A 102 -3.371 -2.217 -0.446 1.00 0.00 H new ATOM 0 HA MET A 102 -5.528 -3.925 -1.367 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.685 -3.776 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.145 -4.738 1.128 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.397 -5.924 -1.004 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.866 -5.087 -0.844 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.586 -8.242 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.898 -6.543 2.456 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.482 -7.191 0.905 1.00 0.00 H new ATOM 388 N ASP A 103 -6.055 -1.441 0.624 1.00 0.00 N ATOM 389 CA ASP A 103 -7.079 -0.676 1.327 1.00 0.00 C ATOM 390 C ASP A 103 -8.464 -0.973 0.760 1.00 0.00 C ATOM 391 O ASP A 103 -9.403 -1.254 1.504 1.00 0.00 O ATOM 392 CB ASP A 103 -6.784 0.822 1.228 1.00 0.00 C ATOM 393 CG ASP A 103 -7.759 1.658 2.033 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.159 1.211 3.128 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.123 2.759 1.568 1.00 0.00 O ATOM 0 H ASP A 103 -5.172 -0.946 0.496 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.064 -0.973 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.770 1.014 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.823 1.129 0.183 1.00 0.00 H new ATOM 400 N GLY A 104 -8.584 -0.906 -0.563 1.00 0.00 N ATOM 401 CA GLY A 104 -9.858 -1.169 -1.206 1.00 0.00 C ATOM 402 C GLY A 104 -10.614 -2.309 -0.552 1.00 0.00 C ATOM 403 O GLY A 104 -11.789 -2.169 -0.211 1.00 0.00 O ATOM 0 H GLY A 104 -7.822 -0.674 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.470 -0.267 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.689 -1.405 -2.257 1.00 0.00 H new ATOM 407 N LEU A 105 -9.939 -3.440 -0.376 1.00 0.00 N ATOM 408 CA LEU A 105 -10.555 -4.610 0.241 1.00 0.00 C ATOM 409 C LEU A 105 -11.067 -4.282 1.640 1.00 0.00 C ATOM 410 O LEU A 105 -12.259 -4.404 1.921 1.00 0.00 O ATOM 411 CB LEU A 105 -9.552 -5.762 0.309 1.00 0.00 C ATOM 412 CG LEU A 105 -8.945 -6.204 -1.023 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.681 -7.017 -0.790 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.956 -7.005 -1.830 1.00 0.00 C ATOM 0 H LEU A 105 -8.966 -3.572 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.403 -4.911 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.741 -5.472 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -10.046 -6.621 0.763 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.679 -5.314 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.263 -7.323 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.952 -6.410 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.921 -7.902 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.507 -7.311 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.253 -7.889 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.833 -6.389 -2.028 1.00 0.00 H new ATOM 426 N PHE A 106 -10.157 -3.863 2.514 1.00 0.00 N ATOM 427 CA PHE A 106 -10.516 -3.516 3.884 1.00 0.00 C ATOM 428 C PHE A 106 -11.856 -2.787 3.927 1.00 0.00 C ATOM 429 O PHE A 106 -12.677 -3.027 4.810 1.00 0.00 O ATOM 430 CB PHE A 106 -9.428 -2.644 4.513 1.00 0.00 C ATOM 431 CG PHE A 106 -8.191 -3.408 4.890 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.133 -4.114 6.080 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.086 -3.419 4.054 1.00 0.00 C ATOM 434 CE1 PHE A 106 -6.996 -4.818 6.430 1.00 0.00 C ATOM 435 CE2 PHE A 106 -5.946 -4.121 4.398 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.902 -4.822 5.587 1.00 0.00 C ATOM 0 H PHE A 106 -9.166 -3.756 2.298 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.607 -4.440 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.158 -1.853 3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.831 -2.159 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.986 -4.115 6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.116 -2.873 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.963 -5.364 7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.091 -4.121 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.013 -5.373 5.857 1.00 0.00 H new ATOM 532 N LYS A 113 -8.556 -9.442 9.299 1.00 0.00 N ATOM 533 CA LYS A 113 -7.562 -10.402 9.763 1.00 0.00 C ATOM 534 C LYS A 113 -6.868 -11.079 8.585 1.00 0.00 C ATOM 535 O LYS A 113 -5.643 -11.040 8.468 1.00 0.00 O ATOM 536 CB LYS A 113 -8.219 -11.458 10.655 1.00 0.00 C ATOM 537 CG LYS A 113 -8.395 -11.012 12.096 1.00 0.00 C ATOM 538 CD LYS A 113 -9.652 -10.176 12.273 1.00 0.00 C ATOM 539 CE LYS A 113 -10.050 -10.071 13.737 1.00 0.00 C ATOM 540 NZ LYS A 113 -10.480 -11.384 14.291 1.00 0.00 N ATOM 0 HA LYS A 113 -6.814 -9.860 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.194 -11.715 10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.615 -12.365 10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.445 -11.887 12.745 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.525 -10.433 12.407 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.486 -9.178 11.867 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.469 -10.620 11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.208 -9.691 14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.860 -9.350 13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -11.077 -11.229 15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.021 -11.904 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.642 -11.938 14.562 1.00 0.00 H new ATOM 554 N HIS A 114 -7.659 -11.696 7.713 1.00 0.00 N ATOM 555 CA HIS A 114 -7.120 -12.379 6.542 1.00 0.00 C ATOM 556 C HIS A 114 -6.340 -11.409 5.659 1.00 0.00 C ATOM 557 O HIS A 114 -5.239 -11.718 5.201 1.00 0.00 O ATOM 558 CB HIS A 114 -8.248 -13.024 5.737 1.00 0.00 C ATOM 559 CG HIS A 114 -9.033 -12.047 4.917 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.074 -11.300 5.427 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.924 -11.696 3.614 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.571 -10.533 4.474 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.891 -10.754 3.364 1.00 0.00 N ATOM 0 H HIS A 114 -8.675 -11.737 7.795 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.439 -13.157 6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.825 -13.782 5.078 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.924 -13.537 6.421 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.209 -12.085 2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.394 -9.842 4.584 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.057 -10.299 2.466 1.00 0.00 H new ATOM 571 N LEU A 115 -6.917 -10.236 5.423 1.00 0.00 N ATOM 572 CA LEU A 115 -6.276 -9.221 4.594 1.00 0.00 C ATOM 573 C LEU A 115 -4.855 -8.944 5.074 1.00 0.00 C ATOM 574 O LEU A 115 -3.914 -8.930 4.281 1.00 0.00 O ATOM 575 CB LEU A 115 -7.094 -7.928 4.613 1.00 0.00 C ATOM 576 CG LEU A 115 -8.419 -7.961 3.850 1.00 0.00 C ATOM 577 CD1 LEU A 115 -9.218 -6.694 4.114 1.00 0.00 C ATOM 578 CD2 LEU A 115 -8.171 -8.137 2.359 1.00 0.00 C ATOM 0 H LEU A 115 -7.827 -9.964 5.794 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.228 -9.598 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.302 -7.668 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.480 -7.127 4.201 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.000 -8.813 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.158 -6.735 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.426 -6.611 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.644 -5.827 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.125 -8.158 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.570 -7.306 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.640 -9.073 2.186 1.00 0.00 H new ATOM 590 N TRP A 116 -4.708 -8.727 6.375 1.00 0.00 N ATOM 591 CA TRP A 116 -3.400 -8.452 6.961 1.00 0.00 C ATOM 592 C TRP A 116 -2.417 -9.574 6.646 1.00 0.00 C ATOM 593 O TRP A 116 -1.282 -9.320 6.244 1.00 0.00 O ATOM 594 CB TRP A 116 -3.524 -8.276 8.475 1.00 0.00 C ATOM 595 CG TRP A 116 -3.961 -6.901 8.880 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.092 -6.570 9.569 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.275 -5.672 8.617 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.151 -5.210 9.751 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.048 -4.636 9.178 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.083 -5.346 7.965 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.666 -3.299 9.103 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.705 -4.019 7.892 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.494 -3.009 8.459 1.00 0.00 C ATOM 0 H TRP A 116 -5.477 -8.736 7.045 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.020 -7.528 6.525 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.237 -9.004 8.861 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.562 -8.495 8.939 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.832 -7.274 9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.896 -4.709 10.235 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.468 -6.118 7.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.273 -2.519 9.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.786 -3.756 7.390 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.171 -1.981 8.386 1.00 0.00 H new ATOM 614 N GLU A 117 -2.860 -10.814 6.830 1.00 0.00 N ATOM 615 CA GLU A 117 -2.016 -11.973 6.565 1.00 0.00 C ATOM 616 C GLU A 117 -1.396 -11.888 5.173 1.00 0.00 C ATOM 617 O GLU A 117 -0.217 -12.189 4.989 1.00 0.00 O ATOM 618 CB GLU A 117 -2.828 -13.263 6.696 1.00 0.00 C ATOM 619 CG GLU A 117 -3.481 -13.436 8.057 1.00 0.00 C ATOM 620 CD GLU A 117 -3.964 -14.853 8.296 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.116 -15.767 8.367 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.193 -15.049 8.414 1.00 0.00 O ATOM 0 H GLU A 117 -3.798 -11.041 7.161 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.212 -11.981 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.601 -13.275 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.175 -14.114 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.768 -13.163 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.324 -12.750 8.141 1.00 0.00 H new ATOM 629 N GLN A 118 -2.200 -11.477 4.198 1.00 0.00 N ATOM 630 CA GLN A 118 -1.731 -11.354 2.823 1.00 0.00 C ATOM 631 C GLN A 118 -0.599 -10.337 2.723 1.00 0.00 C ATOM 632 O GLN A 118 0.457 -10.623 2.157 1.00 0.00 O ATOM 633 CB GLN A 118 -2.883 -10.944 1.904 1.00 0.00 C ATOM 634 CG GLN A 118 -3.777 -12.104 1.495 1.00 0.00 C ATOM 635 CD GLN A 118 -4.613 -11.792 0.269 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.212 -12.077 -0.859 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.784 -11.203 0.486 1.00 0.00 N ATOM 0 H GLN A 118 -3.179 -11.224 4.335 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.351 -12.326 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.488 -10.190 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.474 -10.478 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.160 -12.981 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.436 -12.360 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.076 -10.985 1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.391 -10.969 -0.300 1.00 0.00 H new ATOM 646 N ILE A 119 -0.826 -9.150 3.276 1.00 0.00 N ATOM 647 CA ILE A 119 0.176 -8.091 3.249 1.00 0.00 C ATOM 648 C ILE A 119 1.522 -8.595 3.758 1.00 0.00 C ATOM 649 O ILE A 119 2.516 -8.582 3.032 1.00 0.00 O ATOM 650 CB ILE A 119 -0.261 -6.881 4.096 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.587 -6.320 3.578 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.817 -5.808 4.081 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.205 -5.287 4.493 1.00 0.00 C ATOM 0 H ILE A 119 -1.694 -8.898 3.748 1.00 0.00 H new ATOM 0 HA ILE A 119 0.277 -7.779 2.210 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.405 -7.209 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.425 -5.874 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.291 -7.141 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.494 -4.959 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.741 -6.215 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.990 -5.480 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -3.142 -4.934 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.399 -5.734 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.520 -4.447 4.609 1.00 0.00 H new ATOM 665 N SER A 120 1.545 -9.040 5.010 1.00 0.00 N ATOM 666 CA SER A 120 2.770 -9.547 5.618 1.00 0.00 C ATOM 667 C SER A 120 3.437 -10.581 4.716 1.00 0.00 C ATOM 668 O SER A 120 4.617 -10.464 4.387 1.00 0.00 O ATOM 669 CB SER A 120 2.468 -10.164 6.985 1.00 0.00 C ATOM 670 OG SER A 120 1.526 -11.217 6.872 1.00 0.00 O ATOM 0 H SER A 120 0.730 -9.060 5.623 1.00 0.00 H new ATOM 0 HA SER A 120 3.455 -8.709 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.389 -10.542 7.429 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.082 -9.397 7.657 1.00 0.00 H new ATOM 0 HG SER A 120 1.584 -11.794 7.662 1.00 0.00 H new ATOM 676 N SER A 121 2.672 -11.592 4.320 1.00 0.00 N ATOM 677 CA SER A 121 3.188 -12.650 3.459 1.00 0.00 C ATOM 678 C SER A 121 3.909 -12.062 2.250 1.00 0.00 C ATOM 679 O SER A 121 5.001 -12.501 1.889 1.00 0.00 O ATOM 680 CB SER A 121 2.049 -13.561 2.996 1.00 0.00 C ATOM 681 OG SER A 121 2.531 -14.584 2.142 1.00 0.00 O ATOM 0 H SER A 121 1.692 -11.701 4.581 1.00 0.00 H new ATOM 0 HA SER A 121 3.902 -13.239 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.560 -14.006 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.296 -12.971 2.473 1.00 0.00 H new ATOM 0 HG SER A 121 1.785 -15.154 1.861 1.00 0.00 H new ATOM 687 N LYS A 122 3.289 -11.066 1.626 1.00 0.00 N ATOM 688 CA LYS A 122 3.870 -10.416 0.457 1.00 0.00 C ATOM 689 C LYS A 122 5.236 -9.823 0.787 1.00 0.00 C ATOM 690 O LYS A 122 6.188 -9.970 0.020 1.00 0.00 O ATOM 691 CB LYS A 122 2.937 -9.317 -0.057 1.00 0.00 C ATOM 692 CG LYS A 122 1.851 -9.828 -0.988 1.00 0.00 C ATOM 693 CD LYS A 122 0.669 -8.875 -1.041 1.00 0.00 C ATOM 694 CE LYS A 122 0.849 -7.823 -2.126 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.457 -7.339 -2.652 1.00 0.00 N ATOM 0 H LYS A 122 2.384 -10.691 1.910 1.00 0.00 H new ATOM 0 HA LYS A 122 3.998 -11.169 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.471 -8.821 0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.528 -8.565 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.260 -9.957 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.514 -10.809 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.246 -9.438 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.551 -8.386 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.413 -6.981 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.437 -8.241 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.291 -6.624 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.985 -8.138 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.008 -6.917 -1.878 1.00 0.00 H new ATOM 709 N MET A 123 5.326 -9.156 1.933 1.00 0.00 N ATOM 710 CA MET A 123 6.578 -8.544 2.364 1.00 0.00 C ATOM 711 C MET A 123 7.719 -9.555 2.323 1.00 0.00 C ATOM 712 O MET A 123 8.708 -9.360 1.615 1.00 0.00 O ATOM 713 CB MET A 123 6.433 -7.979 3.778 1.00 0.00 C ATOM 714 CG MET A 123 5.521 -6.765 3.857 1.00 0.00 C ATOM 715 SD MET A 123 6.328 -5.253 3.295 1.00 0.00 S ATOM 716 CE MET A 123 7.210 -4.769 4.777 1.00 0.00 C ATOM 0 H MET A 123 4.548 -9.026 2.579 1.00 0.00 H new ATOM 0 HA MET A 123 6.812 -7.731 1.677 1.00 0.00 H new ATOM 0 HB2 MET A 123 6.045 -8.758 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.419 -7.708 4.155 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.631 -6.944 3.253 1.00 0.00 H new ATOM 0 HG3 MET A 123 5.186 -6.633 4.886 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.870 -3.784 5.098 1.00 0.00 H new ATOM 0 HE2 MET A 123 7.019 -5.494 5.568 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.279 -4.733 4.569 1.00 0.00 H new ATOM 726 N ARG A 124 7.576 -10.634 3.085 1.00 0.00 N ATOM 727 CA ARG A 124 8.597 -11.674 3.135 1.00 0.00 C ATOM 728 C ARG A 124 9.028 -12.082 1.730 1.00 0.00 C ATOM 729 O ARG A 124 10.215 -12.259 1.461 1.00 0.00 O ATOM 730 CB ARG A 124 8.073 -12.895 3.894 1.00 0.00 C ATOM 731 CG ARG A 124 8.270 -12.808 5.399 1.00 0.00 C ATOM 732 CD ARG A 124 9.607 -13.398 5.821 1.00 0.00 C ATOM 733 NE ARG A 124 9.664 -14.840 5.597 1.00 0.00 N ATOM 734 CZ ARG A 124 10.479 -15.654 6.258 1.00 0.00 C ATOM 735 NH1 ARG A 124 11.301 -15.171 7.179 1.00 0.00 N ATOM 736 NH2 ARG A 124 10.472 -16.956 5.997 1.00 0.00 N ATOM 0 H ARG A 124 6.764 -10.811 3.676 1.00 0.00 H new ATOM 0 HA ARG A 124 9.464 -11.272 3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.011 -13.016 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 124 8.576 -13.787 3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.215 -11.766 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.462 -13.337 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 124 10.409 -12.913 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.779 -13.188 6.877 1.00 0.00 H new ATOM 0 HE ARG A 124 9.044 -15.244 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 124 11.309 -14.171 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.926 -15.799 7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 124 9.841 -17.331 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 124 11.098 -17.581 6.505 1.00 0.00 H new ATOM 750 N GLU A 125 8.053 -12.230 0.837 1.00 0.00 N ATOM 751 CA GLU A 125 8.333 -12.619 -0.540 1.00 0.00 C ATOM 752 C GLU A 125 9.182 -11.563 -1.242 1.00 0.00 C ATOM 753 O GLU A 125 10.159 -11.884 -1.919 1.00 0.00 O ATOM 754 CB GLU A 125 7.027 -12.832 -1.309 1.00 0.00 C ATOM 755 CG GLU A 125 6.207 -14.006 -0.801 1.00 0.00 C ATOM 756 CD GLU A 125 7.048 -15.243 -0.555 1.00 0.00 C ATOM 757 OE1 GLU A 125 7.746 -15.681 -1.494 1.00 0.00 O ATOM 758 OE2 GLU A 125 7.009 -15.773 0.574 1.00 0.00 O ATOM 0 H GLU A 125 7.064 -12.087 1.043 1.00 0.00 H new ATOM 0 HA GLU A 125 8.891 -13.555 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.426 -11.925 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.257 -12.989 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.707 -13.721 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.427 -14.240 -1.526 1.00 0.00 H new ATOM 765 N LYS A 126 8.802 -10.300 -1.076 1.00 0.00 N ATOM 766 CA LYS A 126 9.527 -9.195 -1.691 1.00 0.00 C ATOM 767 C LYS A 126 10.951 -9.111 -1.152 1.00 0.00 C ATOM 768 O LYS A 126 11.903 -8.939 -1.911 1.00 0.00 O ATOM 769 CB LYS A 126 8.795 -7.875 -1.439 1.00 0.00 C ATOM 770 CG LYS A 126 7.372 -7.857 -1.968 1.00 0.00 C ATOM 771 CD LYS A 126 7.317 -7.354 -3.401 1.00 0.00 C ATOM 772 CE LYS A 126 7.641 -8.460 -4.393 1.00 0.00 C ATOM 773 NZ LYS A 126 7.187 -8.121 -5.770 1.00 0.00 N ATOM 0 H LYS A 126 7.995 -10.017 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 126 9.575 -9.377 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.777 -7.678 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.356 -7.064 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.951 -8.861 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.755 -7.220 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.324 -6.956 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.023 -6.533 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.716 -8.639 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.165 -9.387 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.426 -8.900 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.157 -7.975 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.660 -7.251 -6.087 1.00 0.00 H new ATOM 787 N GLY A 127 11.089 -9.234 0.165 1.00 0.00 N ATOM 788 CA GLY A 127 12.400 -9.170 0.783 1.00 0.00 C ATOM 789 C GLY A 127 12.368 -8.505 2.144 1.00 0.00 C ATOM 790 O GLY A 127 13.321 -7.832 2.537 1.00 0.00 O ATOM 0 H GLY A 127 10.316 -9.377 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.800 -10.179 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.079 -8.622 0.130 1.00 0.00 H new ATOM 794 N PHE A 128 11.268 -8.691 2.866 1.00 0.00 N ATOM 795 CA PHE A 128 11.115 -8.101 4.191 1.00 0.00 C ATOM 796 C PHE A 128 10.479 -9.096 5.158 1.00 0.00 C ATOM 797 O PHE A 128 9.285 -9.384 5.073 1.00 0.00 O ATOM 798 CB PHE A 128 10.263 -6.833 4.112 1.00 0.00 C ATOM 799 CG PHE A 128 10.910 -5.723 3.334 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.237 -5.390 3.551 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.191 -5.013 2.386 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.837 -4.370 2.837 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.785 -3.992 1.668 1.00 0.00 C ATOM 804 CZ PHE A 128 12.109 -3.669 1.895 1.00 0.00 C ATOM 0 H PHE A 128 10.470 -9.245 2.556 1.00 0.00 H new ATOM 0 HA PHE A 128 12.106 -7.841 4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.305 -7.077 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.053 -6.483 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.810 -5.934 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.155 -5.260 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.873 -4.121 3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.215 -3.447 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.574 -2.870 1.337 1.00 0.00 H new ATOM 814 N ASP A 129 11.285 -9.616 6.077 1.00 0.00 N ATOM 815 CA ASP A 129 10.802 -10.577 7.062 1.00 0.00 C ATOM 816 C ASP A 129 10.224 -9.863 8.280 1.00 0.00 C ATOM 817 O ASP A 129 10.956 -9.487 9.196 1.00 0.00 O ATOM 818 CB ASP A 129 11.934 -11.511 7.492 1.00 0.00 C ATOM 819 CG ASP A 129 12.999 -10.796 8.300 1.00 0.00 C ATOM 820 OD1 ASP A 129 13.498 -9.751 7.832 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.333 -11.281 9.401 1.00 0.00 O ATOM 0 H ASP A 129 12.276 -9.388 6.161 1.00 0.00 H new ATOM 0 HA ASP A 129 10.010 -11.167 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.522 -12.329 8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.390 -11.955 6.607 1.00 0.00 H new ATOM 826 N ARG A 130 8.908 -9.680 8.283 1.00 0.00 N ATOM 827 CA ARG A 130 8.233 -9.009 9.388 1.00 0.00 C ATOM 828 C ARG A 130 6.920 -9.709 9.727 1.00 0.00 C ATOM 829 O ARG A 130 6.211 -10.184 8.840 1.00 0.00 O ATOM 830 CB ARG A 130 7.966 -7.544 9.037 1.00 0.00 C ATOM 831 CG ARG A 130 9.150 -6.629 9.303 1.00 0.00 C ATOM 832 CD ARG A 130 9.312 -6.346 10.789 1.00 0.00 C ATOM 833 NE ARG A 130 10.476 -5.507 11.062 1.00 0.00 N ATOM 834 CZ ARG A 130 11.018 -5.372 12.267 1.00 0.00 C ATOM 835 NH1 ARG A 130 10.504 -6.018 13.305 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.076 -4.590 12.437 1.00 0.00 N ATOM 0 H ARG A 130 8.288 -9.987 7.533 1.00 0.00 H new ATOM 0 HA ARG A 130 8.885 -9.053 10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.694 -7.475 7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.109 -7.192 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.060 -7.088 8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.014 -5.691 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.415 -5.854 11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.409 -7.288 11.329 1.00 0.00 H new ATOM 0 HE ARG A 130 10.896 -4.997 10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.691 -6.620 13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.922 -5.913 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 130 12.475 -4.091 11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 130 12.491 -4.488 13.363 1.00 0.00 H new ATOM 850 N SER A 131 6.603 -9.768 11.017 1.00 0.00 N ATOM 851 CA SER A 131 5.378 -10.413 11.474 1.00 0.00 C ATOM 852 C SER A 131 4.149 -9.631 11.018 1.00 0.00 C ATOM 853 O SER A 131 4.227 -8.454 10.665 1.00 0.00 O ATOM 854 CB SER A 131 5.380 -10.537 12.999 1.00 0.00 C ATOM 855 OG SER A 131 5.967 -11.760 13.410 1.00 0.00 O ATOM 0 H SER A 131 7.178 -9.377 11.764 1.00 0.00 H new ATOM 0 HA SER A 131 5.336 -11.410 11.035 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.929 -9.702 13.434 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.358 -10.476 13.373 1.00 0.00 H new ATOM 0 HG SER A 131 5.958 -11.815 14.388 1.00 0.00 H new ATOM 861 N PRO A 132 2.987 -10.300 11.026 1.00 0.00 N ATOM 862 CA PRO A 132 1.719 -9.689 10.617 1.00 0.00 C ATOM 863 C PRO A 132 1.234 -8.639 11.611 1.00 0.00 C ATOM 864 O PRO A 132 0.821 -7.545 11.223 1.00 0.00 O ATOM 865 CB PRO A 132 0.751 -10.874 10.575 1.00 0.00 C ATOM 866 CG PRO A 132 1.328 -11.868 11.523 1.00 0.00 C ATOM 867 CD PRO A 132 2.820 -11.705 11.435 1.00 0.00 C ATOM 0 HA PRO A 132 1.809 -9.161 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.253 -10.576 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.673 -11.286 9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.975 -11.689 12.539 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.030 -12.882 11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.303 -11.905 12.391 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.257 -12.390 10.708 1.00 0.00 H new ATOM 875 N THR A 133 1.287 -8.978 12.895 1.00 0.00 N ATOM 876 CA THR A 133 0.852 -8.065 13.945 1.00 0.00 C ATOM 877 C THR A 133 1.640 -6.761 13.900 1.00 0.00 C ATOM 878 O THR A 133 1.071 -5.676 14.019 1.00 0.00 O ATOM 879 CB THR A 133 1.009 -8.698 15.340 1.00 0.00 C ATOM 880 OG1 THR A 133 2.277 -9.356 15.440 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.108 -9.695 15.611 1.00 0.00 C ATOM 0 H THR A 133 1.627 -9.878 13.233 1.00 0.00 H new ATOM 0 HA THR A 133 -0.203 -7.856 13.766 1.00 0.00 H new ATOM 0 HB THR A 133 0.953 -7.903 16.083 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.370 -9.754 16.331 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.024 -10.129 16.602 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.070 -9.185 15.564 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.079 -10.486 14.862 1.00 0.00 H new ATOM 889 N MET A 134 2.953 -6.873 13.727 1.00 0.00 N ATOM 890 CA MET A 134 3.819 -5.701 13.664 1.00 0.00 C ATOM 891 C MET A 134 3.256 -4.661 12.701 1.00 0.00 C ATOM 892 O MET A 134 3.237 -3.467 13.004 1.00 0.00 O ATOM 893 CB MET A 134 5.229 -6.105 13.230 1.00 0.00 C ATOM 894 CG MET A 134 5.932 -7.019 14.220 1.00 0.00 C ATOM 895 SD MET A 134 6.203 -6.232 15.819 1.00 0.00 S ATOM 896 CE MET A 134 7.790 -5.447 15.545 1.00 0.00 C ATOM 0 H MET A 134 3.441 -7.763 13.628 1.00 0.00 H new ATOM 0 HA MET A 134 3.866 -5.260 14.660 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.173 -6.605 12.263 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.829 -5.206 13.090 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.338 -7.922 14.360 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.891 -7.329 13.805 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.095 -4.917 16.448 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.534 -6.205 15.301 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.708 -4.740 14.720 1.00 0.00 H new ATOM 906 N CYS A 135 2.798 -5.120 11.542 1.00 0.00 N ATOM 907 CA CYS A 135 2.236 -4.228 10.534 1.00 0.00 C ATOM 908 C CYS A 135 0.922 -3.622 11.017 1.00 0.00 C ATOM 909 O CYS A 135 0.655 -2.439 10.803 1.00 0.00 O ATOM 910 CB CYS A 135 2.012 -4.983 9.223 1.00 0.00 C ATOM 911 SG CYS A 135 3.525 -5.637 8.481 1.00 0.00 S ATOM 0 H CYS A 135 2.805 -6.105 11.277 1.00 0.00 H new ATOM 0 HA CYS A 135 2.947 -3.420 10.362 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.323 -5.808 9.404 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.529 -4.315 8.509 1.00 0.00 H new ATOM 0 HG CYS A 135 3.903 -6.698 9.130 1.00 0.00 H new ATOM 917 N THR A 136 0.102 -4.441 11.669 1.00 0.00 N ATOM 918 CA THR A 136 -1.185 -3.988 12.179 1.00 0.00 C ATOM 919 C THR A 136 -1.016 -2.798 13.118 1.00 0.00 C ATOM 920 O THR A 136 -1.622 -1.746 12.917 1.00 0.00 O ATOM 921 CB THR A 136 -1.922 -5.115 12.926 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.197 -6.198 12.030 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.223 -4.606 13.528 1.00 0.00 C ATOM 0 H THR A 136 0.308 -5.422 11.856 1.00 0.00 H new ATOM 0 HA THR A 136 -1.778 -3.686 11.316 1.00 0.00 H new ATOM 0 HB THR A 136 -1.280 -5.466 13.734 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.490 -5.841 11.166 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.725 -5.420 14.050 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.008 -3.802 14.231 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.869 -4.231 12.734 1.00 0.00 H new ATOM 931 N ASP A 137 -0.189 -2.972 14.143 1.00 0.00 N ATOM 932 CA ASP A 137 0.062 -1.912 15.112 1.00 0.00 C ATOM 933 C ASP A 137 0.718 -0.708 14.442 1.00 0.00 C ATOM 934 O ASP A 137 0.236 0.419 14.557 1.00 0.00 O ATOM 935 CB ASP A 137 0.950 -2.427 16.246 1.00 0.00 C ATOM 936 CG ASP A 137 0.693 -1.707 17.555 1.00 0.00 C ATOM 937 OD1 ASP A 137 -0.481 -1.386 17.836 1.00 0.00 O ATOM 938 OD2 ASP A 137 1.667 -1.464 18.298 1.00 0.00 O ATOM 0 H ASP A 137 0.319 -3.838 14.324 1.00 0.00 H new ATOM 0 HA ASP A 137 -0.896 -1.598 15.526 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.778 -3.495 16.382 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.997 -2.306 15.967 1.00 0.00 H new ATOM 943 N LYS A 138 1.821 -0.954 13.744 1.00 0.00 N ATOM 944 CA LYS A 138 2.545 0.108 13.056 1.00 0.00 C ATOM 945 C LYS A 138 1.593 0.968 12.230 1.00 0.00 C ATOM 946 O LYS A 138 1.558 2.190 12.380 1.00 0.00 O ATOM 947 CB LYS A 138 3.626 -0.487 12.151 1.00 0.00 C ATOM 948 CG LYS A 138 4.333 0.545 11.289 1.00 0.00 C ATOM 949 CD LYS A 138 5.065 1.572 12.136 1.00 0.00 C ATOM 950 CE LYS A 138 6.165 2.264 11.346 1.00 0.00 C ATOM 951 NZ LYS A 138 7.351 1.383 11.158 1.00 0.00 N ATOM 0 H LYS A 138 2.234 -1.881 13.640 1.00 0.00 H new ATOM 0 HA LYS A 138 3.017 0.739 13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.364 -0.999 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.174 -1.239 11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.042 0.045 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.605 1.049 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.356 2.315 12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.496 1.084 13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.778 2.565 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.467 3.174 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.806 1.602 10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 8.028 1.543 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.049 0.388 11.163 1.00 0.00 H new ATOM 965 N TRP A 139 0.823 0.323 11.362 1.00 0.00 N ATOM 966 CA TRP A 139 -0.131 1.030 10.514 1.00 0.00 C ATOM 967 C TRP A 139 -0.982 1.991 11.337 1.00 0.00 C ATOM 968 O TRP A 139 -1.087 3.174 11.013 1.00 0.00 O ATOM 969 CB TRP A 139 -1.029 0.033 9.780 1.00 0.00 C ATOM 970 CG TRP A 139 -2.125 0.688 8.995 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.461 0.666 9.277 1.00 0.00 C ATOM 972 CD2 TRP A 139 -1.978 1.459 7.798 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.154 1.377 8.327 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.267 1.874 7.409 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.884 1.841 7.017 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.488 2.651 6.275 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.105 2.611 5.891 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.399 3.010 5.529 1.00 0.00 C ATOM 0 H TRP A 139 0.840 -0.688 11.226 1.00 0.00 H new ATOM 0 HA TRP A 139 0.431 1.609 9.781 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.418 -0.568 9.106 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.470 -0.651 10.505 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.907 0.164 10.122 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.165 1.513 8.308 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.117 1.540 7.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.484 2.959 5.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.267 2.910 5.280 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.539 3.613 4.644 1.00 0.00 H new ATOM 989 N ARG A 140 -1.588 1.475 12.401 1.00 0.00 N ATOM 990 CA ARG A 140 -2.431 2.289 13.269 1.00 0.00 C ATOM 991 C ARG A 140 -1.724 3.584 13.657 1.00 0.00 C ATOM 992 O ARG A 140 -2.338 4.649 13.702 1.00 0.00 O ATOM 993 CB ARG A 140 -2.810 1.505 14.527 1.00 0.00 C ATOM 994 CG ARG A 140 -3.987 0.565 14.328 1.00 0.00 C ATOM 995 CD ARG A 140 -4.779 0.384 15.614 1.00 0.00 C ATOM 996 NE ARG A 140 -5.315 1.649 16.109 1.00 0.00 N ATOM 997 CZ ARG A 140 -6.332 1.734 16.959 1.00 0.00 C ATOM 998 NH1 ARG A 140 -6.921 0.633 17.405 1.00 0.00 N ATOM 999 NH2 ARG A 140 -6.762 2.922 17.364 1.00 0.00 N ATOM 0 H ARG A 140 -1.511 0.498 12.683 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.338 2.542 12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -1.947 0.928 14.859 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.049 2.208 15.325 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -4.640 0.958 13.549 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -3.626 -0.404 13.982 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.598 -0.314 15.440 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -4.138 -0.061 16.375 1.00 0.00 H new ATOM 0 HE ARG A 140 -4.885 2.515 15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.593 -0.282 17.095 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.702 0.701 18.058 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.311 3.771 17.023 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -7.543 2.986 18.017 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.428 3.483 13.936 1.00 0.00 N ATOM 1014 CA ASN A 141 0.363 4.646 14.321 1.00 0.00 C ATOM 1015 C ASN A 141 0.422 5.664 13.186 1.00 0.00 C ATOM 1016 O ASN A 141 0.232 6.862 13.401 1.00 0.00 O ATOM 1017 CB ASN A 141 1.779 4.219 14.712 1.00 0.00 C ATOM 1018 CG ASN A 141 2.485 5.261 15.557 1.00 0.00 C ATOM 1019 OD1 ASN A 141 2.063 6.416 15.619 1.00 0.00 O ATOM 1020 ND2 ASN A 141 3.567 4.857 16.214 1.00 0.00 N ATOM 0 H ASN A 141 0.096 2.608 13.903 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.119 5.113 15.180 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.733 3.279 15.262 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.361 4.032 13.810 1.00 0.00 H new ATOM 0 HD21 ASN A 141 4.084 5.514 16.799 1.00 0.00 H new ATOM 0 HD22 ASN A 141 3.881 3.890 16.134 1.00 0.00 H new ATOM 1027 N LEU A 142 0.687 5.179 11.978 1.00 0.00 N ATOM 1028 CA LEU A 142 0.770 6.046 10.807 1.00 0.00 C ATOM 1029 C LEU A 142 -0.514 6.850 10.633 1.00 0.00 C ATOM 1030 O LEU A 142 -0.475 8.053 10.368 1.00 0.00 O ATOM 1031 CB LEU A 142 1.040 5.215 9.551 1.00 0.00 C ATOM 1032 CG LEU A 142 2.421 4.565 9.461 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.422 3.458 8.417 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.481 5.607 9.137 1.00 0.00 C ATOM 0 H LEU A 142 0.848 4.191 11.783 1.00 0.00 H new ATOM 0 HA LEU A 142 1.595 6.742 10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.286 4.430 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.904 5.856 8.680 1.00 0.00 H new ATOM 0 HG LEU A 142 2.658 4.124 10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.413 3.006 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.691 2.698 8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.163 3.875 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.457 5.126 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.249 6.077 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.497 6.365 9.920 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.651 6.180 10.784 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.948 6.833 10.646 1.00 0.00 C ATOM 1048 C LEU A 143 -3.069 8.012 11.606 1.00 0.00 C ATOM 1049 O LEU A 143 -3.439 9.116 11.206 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.075 5.831 10.904 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.036 4.548 10.074 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.129 3.589 10.522 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.178 4.867 8.593 1.00 0.00 C ATOM 0 H LEU A 143 -1.701 5.185 11.002 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.032 7.209 9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.057 5.558 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.027 6.330 10.720 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.071 4.065 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.086 2.681 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -4.983 3.335 11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.103 4.062 10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.148 3.942 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.128 5.372 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.360 5.516 8.280 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.754 7.771 12.874 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.824 8.812 13.891 1.00 0.00 C ATOM 1067 C LYS A 144 -2.080 10.065 13.440 1.00 0.00 C ATOM 1068 O LYS A 144 -2.594 11.177 13.553 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.237 8.305 15.211 1.00 0.00 C ATOM 1070 CG LYS A 144 -3.251 7.604 16.098 1.00 0.00 C ATOM 1071 CD LYS A 144 -3.935 8.580 17.041 1.00 0.00 C ATOM 1072 CE LYS A 144 -5.354 8.138 17.367 1.00 0.00 C ATOM 1073 NZ LYS A 144 -5.400 7.262 18.570 1.00 0.00 N ATOM 0 H LYS A 144 -2.447 6.862 13.222 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.873 9.068 14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -1.419 7.618 14.995 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.810 9.147 15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.999 7.111 15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.753 6.826 16.676 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -3.358 8.663 17.962 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -3.956 9.571 16.588 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.979 9.016 17.533 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.773 7.605 16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.384 6.983 18.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.825 6.412 18.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.024 7.779 19.390 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.867 9.876 12.929 1.00 0.00 N ATOM 1088 CA GLU A 145 -0.054 10.992 12.460 1.00 0.00 C ATOM 1089 C GLU A 145 -0.655 11.612 11.202 1.00 0.00 C ATOM 1090 O GLU A 145 -0.741 12.834 11.080 1.00 0.00 O ATOM 1091 CB GLU A 145 1.376 10.527 12.179 1.00 0.00 C ATOM 1092 CG GLU A 145 2.054 9.885 13.378 1.00 0.00 C ATOM 1093 CD GLU A 145 2.141 10.821 14.569 1.00 0.00 C ATOM 1094 OE1 GLU A 145 2.091 12.051 14.361 1.00 0.00 O ATOM 1095 OE2 GLU A 145 2.260 10.323 15.708 1.00 0.00 O ATOM 0 H GLU A 145 -0.426 8.962 12.829 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.035 11.749 13.244 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.362 9.813 11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.969 11.381 11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.504 8.988 13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 145 3.058 9.567 13.096 1.00 0.00 H new