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 Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 80:sc= 0.664 USER MOD Single : A 94 SER OG : rot 162:sc= 0.936 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 165:sc= -0.943 (180deg=-1.47) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HE2:sc= -7.42! C(o=-7.4!,f=-9.6!) USER MOD Single : A 118 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.46) USER MOD Single : A 120 SER OG : rot -55:sc= 0.474 USER MOD Single : A 121 SER OG : rot 80:sc= 0.132 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -177:sc=-0.000391 (180deg=-0.00594) USER MOD Single : A 126 LYS NZ :NH3+ -131:sc= 0.218 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 134 MET CE :methyl -165:sc= -0.0218 (180deg=-0.286) USER MOD Single : A 135 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 136 THR OG1 : rot -51:sc= 0.665 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.001 X(o=-0.001,f=-0.15) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 12.219 0.337 11.900 1.00 0.00 N ATOM 109 CA TRP A 87 11.793 0.076 10.530 1.00 0.00 C ATOM 110 C TRP A 87 12.578 0.935 9.544 1.00 0.00 C ATOM 111 O TRP A 87 12.564 2.163 9.627 1.00 0.00 O ATOM 112 CB TRP A 87 10.295 0.345 10.379 1.00 0.00 C ATOM 113 CG TRP A 87 9.437 -0.752 10.933 1.00 0.00 C ATOM 114 CD1 TRP A 87 9.375 -1.167 12.233 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.519 -1.573 10.204 1.00 0.00 C ATOM 116 NE1 TRP A 87 8.475 -2.198 12.355 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.935 -2.465 11.125 1.00 0.00 C ATOM 118 CE3 TRP A 87 8.131 -1.641 8.863 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.987 -3.412 10.746 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.191 -2.582 8.488 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.627 -3.456 9.426 1.00 0.00 C ATOM 0 HA TRP A 87 11.990 -0.973 10.308 1.00 0.00 H new ATOM 0 HB2 TRP A 87 10.048 1.280 10.883 1.00 0.00 H new ATOM 0 HB3 TRP A 87 10.062 0.481 9.323 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.949 -0.747 13.045 1.00 0.00 H new ATOM 0 HE1 TRP A 87 8.246 -2.686 13.221 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.558 -0.970 8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.551 -4.087 11.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.886 -2.645 7.454 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.893 -4.179 9.101 1.00 0.00 H new ATOM 132 N VAL A 88 13.261 0.281 8.609 1.00 0.00 N ATOM 133 CA VAL A 88 14.050 0.986 7.606 1.00 0.00 C ATOM 134 C VAL A 88 13.153 1.652 6.569 1.00 0.00 C ATOM 135 O VAL A 88 12.005 1.251 6.378 1.00 0.00 O ATOM 136 CB VAL A 88 15.025 0.033 6.889 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.979 -0.605 7.887 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.260 -1.030 6.116 1.00 0.00 C ATOM 0 H VAL A 88 13.284 -0.735 8.526 1.00 0.00 H new ATOM 0 HA VAL A 88 14.621 1.751 8.132 1.00 0.00 H new ATOM 0 HB VAL A 88 15.614 0.612 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.660 -1.275 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.552 0.173 8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.409 -1.171 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.965 -1.694 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.643 -1.608 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.623 -0.551 5.373 1.00 0.00 H new ATOM 148 N GLN A 89 13.685 2.671 5.901 1.00 0.00 N ATOM 149 CA GLN A 89 12.931 3.393 4.883 1.00 0.00 C ATOM 150 C GLN A 89 12.308 2.427 3.880 1.00 0.00 C ATOM 151 O GLN A 89 11.112 2.496 3.598 1.00 0.00 O ATOM 152 CB GLN A 89 13.838 4.387 4.157 1.00 0.00 C ATOM 153 CG GLN A 89 13.137 5.150 3.045 1.00 0.00 C ATOM 154 CD GLN A 89 14.058 6.119 2.330 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.087 7.310 2.640 1.00 0.00 O ATOM 156 NE2 GLN A 89 14.819 5.612 1.367 1.00 0.00 N ATOM 0 H GLN A 89 14.634 3.015 6.046 1.00 0.00 H new ATOM 0 HA GLN A 89 12.129 3.940 5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.235 5.099 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.689 3.850 3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.731 4.441 2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.293 5.698 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.763 4.619 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.459 6.216 0.852 1.00 0.00 H new ATOM 165 N ASP A 90 13.127 1.529 3.345 1.00 0.00 N ATOM 166 CA ASP A 90 12.656 0.549 2.373 1.00 0.00 C ATOM 167 C ASP A 90 11.407 -0.164 2.882 1.00 0.00 C ATOM 168 O ASP A 90 10.323 -0.011 2.322 1.00 0.00 O ATOM 169 CB ASP A 90 13.755 -0.472 2.074 1.00 0.00 C ATOM 170 CG ASP A 90 15.000 0.170 1.493 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.470 1.176 2.064 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.504 -0.334 0.468 1.00 0.00 O ATOM 0 H ASP A 90 14.120 1.459 3.568 1.00 0.00 H new ATOM 0 HA ASP A 90 12.402 1.078 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.016 -0.999 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.374 -1.217 1.375 1.00 0.00 H new ATOM 177 N GLU A 91 11.570 -0.945 3.946 1.00 0.00 N ATOM 178 CA GLU A 91 10.455 -1.682 4.528 1.00 0.00 C ATOM 179 C GLU A 91 9.270 -0.758 4.793 1.00 0.00 C ATOM 180 O GLU A 91 8.177 -0.963 4.264 1.00 0.00 O ATOM 181 CB GLU A 91 10.887 -2.360 5.830 1.00 0.00 C ATOM 182 CG GLU A 91 11.911 -3.465 5.630 1.00 0.00 C ATOM 183 CD GLU A 91 12.231 -4.204 6.915 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.304 -4.800 7.503 1.00 0.00 O ATOM 185 OE2 GLU A 91 13.407 -4.186 7.333 1.00 0.00 O ATOM 0 H GLU A 91 12.462 -1.083 4.421 1.00 0.00 H new ATOM 0 HA GLU A 91 10.146 -2.445 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.303 -1.608 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.008 -2.776 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.536 -4.174 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.827 -3.037 5.224 1.00 0.00 H new ATOM 192 N THR A 92 9.494 0.261 5.616 1.00 0.00 N ATOM 193 CA THR A 92 8.446 1.216 5.953 1.00 0.00 C ATOM 194 C THR A 92 7.634 1.599 4.721 1.00 0.00 C ATOM 195 O THR A 92 6.410 1.466 4.707 1.00 0.00 O ATOM 196 CB THR A 92 9.031 2.493 6.585 1.00 0.00 C ATOM 197 OG1 THR A 92 9.818 2.156 7.733 1.00 0.00 O ATOM 198 CG2 THR A 92 7.924 3.455 6.988 1.00 0.00 C ATOM 0 H THR A 92 10.392 0.446 6.062 1.00 0.00 H new ATOM 0 HA THR A 92 7.794 0.727 6.677 1.00 0.00 H new ATOM 0 HB THR A 92 9.662 2.982 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.699 1.840 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.362 4.349 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.345 3.734 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.270 2.973 7.714 1.00 0.00 H new ATOM 206 N ARG A 93 8.322 2.073 3.688 1.00 0.00 N ATOM 207 CA ARG A 93 7.663 2.476 2.451 1.00 0.00 C ATOM 208 C ARG A 93 6.936 1.295 1.814 1.00 0.00 C ATOM 209 O ARG A 93 5.796 1.423 1.368 1.00 0.00 O ATOM 210 CB ARG A 93 8.685 3.050 1.468 1.00 0.00 C ATOM 211 CG ARG A 93 8.077 3.985 0.436 1.00 0.00 C ATOM 212 CD ARG A 93 7.514 3.216 -0.749 1.00 0.00 C ATOM 213 NE ARG A 93 6.547 4.008 -1.506 1.00 0.00 N ATOM 214 CZ ARG A 93 5.929 3.567 -2.596 1.00 0.00 C ATOM 215 NH1 ARG A 93 6.175 2.347 -3.054 1.00 0.00 N ATOM 216 NH2 ARG A 93 5.063 4.347 -3.230 1.00 0.00 N ATOM 0 H ARG A 93 9.336 2.188 3.683 1.00 0.00 H new ATOM 0 HA ARG A 93 6.929 3.245 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.452 3.588 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.183 2.228 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.285 4.574 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.835 4.687 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.330 2.915 -1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.036 2.303 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 93 6.335 4.951 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.840 1.745 -2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.699 2.011 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.871 5.286 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.589 4.008 -4.067 1.00 0.00 H new ATOM 230 N SER A 94 7.605 0.147 1.774 1.00 0.00 N ATOM 231 CA SER A 94 7.024 -1.055 1.187 1.00 0.00 C ATOM 232 C SER A 94 5.685 -1.386 1.839 1.00 0.00 C ATOM 233 O SER A 94 4.708 -1.697 1.157 1.00 0.00 O ATOM 234 CB SER A 94 7.984 -2.237 1.338 1.00 0.00 C ATOM 235 OG SER A 94 9.233 -1.960 0.729 1.00 0.00 O ATOM 0 H SER A 94 8.549 0.024 2.141 1.00 0.00 H new ATOM 0 HA SER A 94 6.855 -0.866 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.132 -2.457 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.545 -3.126 0.886 1.00 0.00 H new ATOM 0 HG SER A 94 9.909 -2.583 1.070 1.00 0.00 H new ATOM 241 N LEU A 95 5.648 -1.317 3.165 1.00 0.00 N ATOM 242 CA LEU A 95 4.429 -1.609 3.913 1.00 0.00 C ATOM 243 C LEU A 95 3.328 -0.612 3.568 1.00 0.00 C ATOM 244 O LEU A 95 2.299 -0.980 3.000 1.00 0.00 O ATOM 245 CB LEU A 95 4.710 -1.578 5.416 1.00 0.00 C ATOM 246 CG LEU A 95 3.482 -1.521 6.327 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.646 -2.782 6.173 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.903 -1.331 7.777 1.00 0.00 C ATOM 0 H LEU A 95 6.447 -1.062 3.745 1.00 0.00 H new ATOM 0 HA LEU A 95 4.090 -2.607 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.289 -2.464 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.337 -0.713 5.630 1.00 0.00 H new ATOM 0 HG LEU A 95 2.872 -0.667 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.777 -2.725 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.315 -2.875 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.246 -3.651 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.017 -1.293 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.534 -2.165 8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.460 -0.399 7.875 1.00 0.00 H new ATOM 260 N ILE A 96 3.551 0.652 3.914 1.00 0.00 N ATOM 261 CA ILE A 96 2.579 1.702 3.639 1.00 0.00 C ATOM 262 C ILE A 96 1.885 1.472 2.300 1.00 0.00 C ATOM 263 O ILE A 96 0.664 1.334 2.238 1.00 0.00 O ATOM 264 CB ILE A 96 3.240 3.093 3.629 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.857 3.398 4.996 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.224 4.160 3.251 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.895 4.497 4.958 1.00 0.00 C ATOM 0 H ILE A 96 4.397 0.973 4.385 1.00 0.00 H new ATOM 0 HA ILE A 96 1.840 1.665 4.440 1.00 0.00 H new ATOM 0 HB ILE A 96 4.035 3.096 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.064 3.682 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.315 2.490 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.707 5.137 3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.827 3.949 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.409 4.160 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.289 4.660 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.707 4.207 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.438 5.417 4.594 1.00 0.00 H new ATOM 279 N MET A 97 2.674 1.430 1.231 1.00 0.00 N ATOM 280 CA MET A 97 2.136 1.213 -0.107 1.00 0.00 C ATOM 281 C MET A 97 1.231 -0.014 -0.137 1.00 0.00 C ATOM 282 O MET A 97 0.060 0.074 -0.509 1.00 0.00 O ATOM 283 CB MET A 97 3.273 1.047 -1.117 1.00 0.00 C ATOM 284 CG MET A 97 2.793 0.834 -2.543 1.00 0.00 C ATOM 285 SD MET A 97 2.208 2.356 -3.314 1.00 0.00 S ATOM 286 CE MET A 97 0.757 1.761 -4.179 1.00 0.00 C ATOM 0 H MET A 97 3.687 1.543 1.265 1.00 0.00 H new ATOM 0 HA MET A 97 1.543 2.087 -0.379 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.909 1.932 -1.085 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.891 0.200 -0.820 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.607 0.419 -3.138 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.989 0.098 -2.546 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.283 2.589 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.050 0.994 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.054 1.338 -3.462 1.00 0.00 H new ATOM 296 N PHE A 98 1.780 -1.158 0.257 1.00 0.00 N ATOM 297 CA PHE A 98 1.022 -2.404 0.275 1.00 0.00 C ATOM 298 C PHE A 98 -0.351 -2.197 0.907 1.00 0.00 C ATOM 299 O PHE A 98 -1.355 -2.722 0.425 1.00 0.00 O ATOM 300 CB PHE A 98 1.791 -3.483 1.040 1.00 0.00 C ATOM 301 CG PHE A 98 2.916 -4.090 0.252 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.719 -4.503 -1.056 1.00 0.00 C ATOM 303 CD2 PHE A 98 4.170 -4.248 0.819 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.752 -5.063 -1.783 1.00 0.00 C ATOM 305 CE2 PHE A 98 5.208 -4.807 0.096 1.00 0.00 C ATOM 306 CZ PHE A 98 4.998 -5.214 -1.207 1.00 0.00 C ATOM 0 H PHE A 98 2.747 -1.248 0.568 1.00 0.00 H new ATOM 0 HA PHE A 98 0.882 -2.729 -0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.192 -3.051 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.098 -4.271 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.747 -4.386 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.339 -3.931 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.585 -5.382 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.181 -4.925 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.807 -5.650 -1.775 1.00 0.00 H new ATOM 316 N ARG A 99 -0.387 -1.428 1.991 1.00 0.00 N ATOM 317 CA ARG A 99 -1.635 -1.152 2.691 1.00 0.00 C ATOM 318 C ARG A 99 -2.568 -0.309 1.827 1.00 0.00 C ATOM 319 O ARG A 99 -3.778 -0.536 1.798 1.00 0.00 O ATOM 320 CB ARG A 99 -1.356 -0.432 4.012 1.00 0.00 C ATOM 321 CG ARG A 99 -2.598 -0.206 4.857 1.00 0.00 C ATOM 322 CD ARG A 99 -3.025 -1.479 5.571 1.00 0.00 C ATOM 323 NE ARG A 99 -4.086 -1.231 6.544 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.357 -1.032 6.211 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.723 -1.052 4.937 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.264 -0.813 7.155 1.00 0.00 N ATOM 0 H ARG A 99 0.434 -0.985 2.403 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.123 -2.104 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.636 -1.014 4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.891 0.531 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.403 0.576 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.411 0.147 4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.369 -2.208 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.165 -1.917 6.077 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.838 -1.209 7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.028 -1.220 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.699 -0.899 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.985 -0.797 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.240 -0.660 6.899 1.00 0.00 H new ATOM 340 N ARG A 100 -1.998 0.666 1.126 1.00 0.00 N ATOM 341 CA ARG A 100 -2.779 1.544 0.263 1.00 0.00 C ATOM 342 C ARG A 100 -3.549 0.737 -0.779 1.00 0.00 C ATOM 343 O ARG A 100 -4.721 1.003 -1.042 1.00 0.00 O ATOM 344 CB ARG A 100 -1.865 2.555 -0.432 1.00 0.00 C ATOM 345 CG ARG A 100 -1.257 3.577 0.514 1.00 0.00 C ATOM 346 CD ARG A 100 -0.344 4.544 -0.223 1.00 0.00 C ATOM 347 NE ARG A 100 -1.094 5.610 -0.883 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.530 6.700 -1.391 1.00 0.00 C ATOM 349 NH1 ARG A 100 0.783 6.867 -1.316 1.00 0.00 N ATOM 350 NH2 ARG A 100 -1.279 7.626 -1.976 1.00 0.00 N ATOM 0 H ARG A 100 -0.998 0.868 1.139 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.496 2.080 0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.063 2.019 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.434 3.078 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.052 4.133 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.693 3.063 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.364 4.981 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.239 3.998 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.107 5.512 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.363 6.158 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.214 7.705 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.290 7.501 -2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.844 8.462 -2.366 1.00 0.00 H new ATOM 364 N GLY A 101 -2.880 -0.248 -1.370 1.00 0.00 N ATOM 365 CA GLY A 101 -3.517 -1.078 -2.376 1.00 0.00 C ATOM 366 C GLY A 101 -4.560 -2.006 -1.787 1.00 0.00 C ATOM 367 O GLY A 101 -5.638 -2.179 -2.355 1.00 0.00 O ATOM 0 H GLY A 101 -1.909 -0.486 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.985 -0.440 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.758 -1.669 -2.889 1.00 0.00 H new ATOM 371 N MET A 102 -4.239 -2.607 -0.646 1.00 0.00 N ATOM 372 CA MET A 102 -5.157 -3.523 0.020 1.00 0.00 C ATOM 373 C MET A 102 -6.349 -2.771 0.604 1.00 0.00 C ATOM 374 O MET A 102 -7.406 -3.354 0.845 1.00 0.00 O ATOM 375 CB MET A 102 -4.432 -4.291 1.126 1.00 0.00 C ATOM 376 CG MET A 102 -3.416 -5.294 0.605 1.00 0.00 C ATOM 377 SD MET A 102 -4.182 -6.821 0.027 1.00 0.00 S ATOM 378 CE MET A 102 -4.646 -7.577 1.583 1.00 0.00 C ATOM 0 H MET A 102 -3.350 -2.476 -0.163 1.00 0.00 H new ATOM 0 HA MET A 102 -5.526 -4.231 -0.722 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.926 -3.580 1.779 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.168 -4.815 1.735 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.852 -4.843 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.702 -5.526 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.356 -8.383 1.398 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.758 -7.980 2.071 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.107 -6.829 2.228 1.00 0.00 H new ATOM 388 N ASP A 103 -6.171 -1.474 0.829 1.00 0.00 N ATOM 389 CA ASP A 103 -7.232 -0.641 1.384 1.00 0.00 C ATOM 390 C ASP A 103 -8.580 -0.996 0.765 1.00 0.00 C ATOM 391 O ASP A 103 -9.536 -1.312 1.472 1.00 0.00 O ATOM 392 CB ASP A 103 -6.923 0.838 1.151 1.00 0.00 C ATOM 393 CG ASP A 103 -7.918 1.753 1.839 1.00 0.00 C ATOM 394 OD1 ASP A 103 -7.704 2.077 3.025 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.911 2.143 1.190 1.00 0.00 O ATOM 0 H ASP A 103 -5.302 -0.976 0.636 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.284 -0.828 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.919 1.058 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.926 1.042 0.080 1.00 0.00 H new ATOM 400 N GLY A 104 -8.650 -0.939 -0.562 1.00 0.00 N ATOM 401 CA GLY A 104 -9.886 -1.255 -1.254 1.00 0.00 C ATOM 402 C GLY A 104 -10.605 -2.442 -0.644 1.00 0.00 C ATOM 403 O GLY A 104 -11.811 -2.388 -0.399 1.00 0.00 O ATOM 0 H GLY A 104 -7.873 -0.680 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.543 -0.386 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.669 -1.465 -2.301 1.00 0.00 H new ATOM 407 N LEU A 105 -9.865 -3.518 -0.399 1.00 0.00 N ATOM 408 CA LEU A 105 -10.439 -4.725 0.185 1.00 0.00 C ATOM 409 C LEU A 105 -11.103 -4.419 1.524 1.00 0.00 C ATOM 410 O LEU A 105 -12.278 -4.721 1.730 1.00 0.00 O ATOM 411 CB LEU A 105 -9.358 -5.790 0.370 1.00 0.00 C ATOM 412 CG LEU A 105 -8.695 -6.302 -0.909 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.416 -7.059 -0.582 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.655 -7.188 -1.690 1.00 0.00 C ATOM 0 H LEU A 105 -8.866 -3.579 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.199 -5.104 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.583 -5.383 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.798 -6.639 0.892 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.437 -5.444 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.958 -7.416 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.722 -6.395 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.650 -7.909 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.166 -7.543 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.944 -8.041 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.543 -6.615 -1.957 1.00 0.00 H new ATOM 426 N PHE A 106 -10.341 -3.816 2.431 1.00 0.00 N ATOM 427 CA PHE A 106 -10.855 -3.468 3.751 1.00 0.00 C ATOM 428 C PHE A 106 -12.241 -2.838 3.646 1.00 0.00 C ATOM 429 O PHE A 106 -13.115 -3.093 4.474 1.00 0.00 O ATOM 430 CB PHE A 106 -9.897 -2.506 4.457 1.00 0.00 C ATOM 431 CG PHE A 106 -8.616 -3.153 4.899 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.563 -3.312 4.014 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.466 -3.604 6.201 1.00 0.00 C ATOM 434 CE1 PHE A 106 -6.382 -3.907 4.418 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.287 -4.199 6.611 1.00 0.00 C ATOM 436 CZ PHE A 106 -6.245 -4.351 5.718 1.00 0.00 C ATOM 0 H PHE A 106 -9.366 -3.558 2.276 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.935 -4.384 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.664 -1.679 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.398 -2.079 5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.665 -2.967 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.279 -3.489 6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.568 -4.024 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.181 -4.544 7.629 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.324 -4.817 6.036 1.00 0.00 H new ATOM 532 N LYS A 113 -8.706 -9.005 9.277 1.00 0.00 N ATOM 533 CA LYS A 113 -7.646 -9.866 9.786 1.00 0.00 C ATOM 534 C LYS A 113 -6.952 -10.606 8.648 1.00 0.00 C ATOM 535 O LYS A 113 -5.723 -10.684 8.602 1.00 0.00 O ATOM 536 CB LYS A 113 -8.216 -10.871 10.790 1.00 0.00 C ATOM 537 CG LYS A 113 -8.424 -10.293 12.179 1.00 0.00 C ATOM 538 CD LYS A 113 -7.132 -10.285 12.979 1.00 0.00 C ATOM 539 CE LYS A 113 -7.144 -9.201 14.046 1.00 0.00 C ATOM 540 NZ LYS A 113 -6.814 -7.863 13.482 1.00 0.00 N ATOM 0 HA LYS A 113 -6.911 -9.237 10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.169 -11.245 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.542 -11.725 10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.809 -9.276 12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.177 -10.877 12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.988 -11.258 13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.288 -10.127 12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.127 -9.165 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.427 -9.453 14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.833 -7.152 14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.866 -7.890 13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.513 -7.611 12.754 1.00 0.00 H new ATOM 554 N HIS A 114 -7.745 -11.148 7.729 1.00 0.00 N ATOM 555 CA HIS A 114 -7.206 -11.880 6.589 1.00 0.00 C ATOM 556 C HIS A 114 -6.329 -10.976 5.728 1.00 0.00 C ATOM 557 O HIS A 114 -5.268 -11.389 5.257 1.00 0.00 O ATOM 558 CB HIS A 114 -8.341 -12.461 5.746 1.00 0.00 C ATOM 559 CG HIS A 114 -8.911 -11.490 4.758 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.089 -10.804 4.971 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.458 -11.090 3.547 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.336 -10.026 3.933 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.361 -10.180 3.055 1.00 0.00 N ATOM 0 H HIS A 114 -8.763 -11.094 7.752 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.592 -12.696 6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.974 -13.337 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.137 -12.802 6.408 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -10.677 -10.885 5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.555 -11.424 3.059 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.190 -9.374 3.821 1.00 0.00 H new ATOM 571 N LEU A 115 -6.778 -9.742 5.527 1.00 0.00 N ATOM 572 CA LEU A 115 -6.034 -8.779 4.723 1.00 0.00 C ATOM 573 C LEU A 115 -4.650 -8.529 5.314 1.00 0.00 C ATOM 574 O LEU A 115 -3.675 -8.353 4.584 1.00 0.00 O ATOM 575 CB LEU A 115 -6.805 -7.462 4.626 1.00 0.00 C ATOM 576 CG LEU A 115 -8.154 -7.525 3.909 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.907 -6.214 4.070 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.960 -7.853 2.436 1.00 0.00 C ATOM 0 H LEU A 115 -7.653 -9.385 5.910 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.912 -9.196 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.970 -7.086 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.177 -6.734 4.113 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.748 -8.319 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.864 -6.278 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.079 -6.021 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.318 -5.402 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.930 -7.894 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.347 -7.082 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.463 -8.819 2.341 1.00 0.00 H new ATOM 590 N TRP A 116 -4.573 -8.516 6.640 1.00 0.00 N ATOM 591 CA TRP A 116 -3.307 -8.290 7.329 1.00 0.00 C ATOM 592 C TRP A 116 -2.320 -9.415 7.038 1.00 0.00 C ATOM 593 O TRP A 116 -1.220 -9.173 6.543 1.00 0.00 O ATOM 594 CB TRP A 116 -3.538 -8.175 8.837 1.00 0.00 C ATOM 595 CG TRP A 116 -3.932 -6.796 9.274 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.032 -6.451 10.005 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.228 -5.578 9.005 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.055 -5.092 10.207 1.00 0.00 N ATOM 599 CE2 TRP A 116 -3.959 -4.534 9.604 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.052 -5.269 8.318 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.551 -3.205 9.535 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.648 -3.949 8.250 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.395 -2.930 8.856 1.00 0.00 C ATOM 0 H TRP A 116 -5.371 -8.659 7.259 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.883 -7.356 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.316 -8.878 9.133 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.628 -8.468 9.360 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.775 -7.144 10.371 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.772 -4.581 10.722 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.469 -6.047 7.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.126 -2.419 10.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.741 -3.699 7.721 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.052 -1.908 8.786 1.00 0.00 H new ATOM 614 N GLU A 117 -2.721 -10.644 7.348 1.00 0.00 N ATOM 615 CA GLU A 117 -1.869 -11.805 7.120 1.00 0.00 C ATOM 616 C GLU A 117 -1.376 -11.842 5.676 1.00 0.00 C ATOM 617 O GLU A 117 -0.293 -12.355 5.393 1.00 0.00 O ATOM 618 CB GLU A 117 -2.628 -13.094 7.444 1.00 0.00 C ATOM 619 CG GLU A 117 -3.960 -13.213 6.723 1.00 0.00 C ATOM 620 CD GLU A 117 -4.624 -14.559 6.942 1.00 0.00 C ATOM 621 OE1 GLU A 117 -4.283 -15.514 6.212 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.483 -14.658 7.842 1.00 0.00 O ATOM 0 H GLU A 117 -3.630 -10.861 7.757 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.005 -11.725 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.005 -13.949 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.801 -13.144 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.627 -12.423 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.806 -13.057 5.655 1.00 0.00 H new ATOM 629 N GLN A 118 -2.178 -11.295 4.769 1.00 0.00 N ATOM 630 CA GLN A 118 -1.823 -11.266 3.355 1.00 0.00 C ATOM 631 C GLN A 118 -0.669 -10.302 3.102 1.00 0.00 C ATOM 632 O GLN A 118 0.283 -10.631 2.394 1.00 0.00 O ATOM 633 CB GLN A 118 -3.034 -10.862 2.512 1.00 0.00 C ATOM 634 CG GLN A 118 -3.883 -12.041 2.062 1.00 0.00 C ATOM 635 CD GLN A 118 -4.830 -11.681 0.934 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.444 -11.014 -0.026 1.00 0.00 O ATOM 637 NE2 GLN A 118 -6.077 -12.124 1.044 1.00 0.00 N ATOM 0 H GLN A 118 -3.077 -10.866 4.987 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.505 -12.268 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.655 -10.177 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.689 -10.317 1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.230 -12.852 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.458 -12.414 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.353 -12.674 1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.759 -11.915 0.315 1.00 0.00 H new ATOM 646 N ILE A 119 -0.760 -9.112 3.686 1.00 0.00 N ATOM 647 CA ILE A 119 0.277 -8.101 3.524 1.00 0.00 C ATOM 648 C ILE A 119 1.633 -8.626 3.985 1.00 0.00 C ATOM 649 O ILE A 119 2.641 -8.457 3.299 1.00 0.00 O ATOM 650 CB ILE A 119 -0.058 -6.820 4.310 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.190 -6.054 3.621 1.00 0.00 C ATOM 652 CG2 ILE A 119 1.177 -5.942 4.444 1.00 0.00 C ATOM 653 CD1 ILE A 119 -1.786 -4.958 4.476 1.00 0.00 C ATOM 0 H ILE A 119 -1.541 -8.825 4.275 1.00 0.00 H new ATOM 0 HA ILE A 119 0.323 -7.864 2.461 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.390 -7.101 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.812 -5.617 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.977 -6.756 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.924 -5.041 5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.957 -6.489 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.537 -5.666 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.582 -4.458 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.194 -5.391 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.012 -4.234 4.732 1.00 0.00 H new ATOM 665 N SER A 120 1.649 -9.265 5.150 1.00 0.00 N ATOM 666 CA SER A 120 2.881 -9.814 5.704 1.00 0.00 C ATOM 667 C SER A 120 3.520 -10.803 4.733 1.00 0.00 C ATOM 668 O SER A 120 4.691 -10.672 4.377 1.00 0.00 O ATOM 669 CB SER A 120 2.602 -10.503 7.041 1.00 0.00 C ATOM 670 OG SER A 120 1.891 -11.714 6.852 1.00 0.00 O ATOM 0 H SER A 120 0.823 -9.415 5.729 1.00 0.00 H new ATOM 0 HA SER A 120 3.576 -8.990 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.543 -10.706 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.027 -9.837 7.684 1.00 0.00 H new ATOM 0 HG SER A 120 1.069 -11.536 6.350 1.00 0.00 H new ATOM 676 N SER A 121 2.741 -11.793 4.309 1.00 0.00 N ATOM 677 CA SER A 121 3.231 -12.807 3.382 1.00 0.00 C ATOM 678 C SER A 121 3.923 -12.161 2.186 1.00 0.00 C ATOM 679 O SER A 121 5.045 -12.524 1.832 1.00 0.00 O ATOM 680 CB SER A 121 2.077 -13.690 2.903 1.00 0.00 C ATOM 681 OG SER A 121 1.565 -14.480 3.962 1.00 0.00 O ATOM 0 H SER A 121 1.769 -11.915 4.592 1.00 0.00 H new ATOM 0 HA SER A 121 3.958 -13.425 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.283 -13.065 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.421 -14.337 2.096 1.00 0.00 H new ATOM 0 HG SER A 121 0.969 -13.935 4.518 1.00 0.00 H new ATOM 687 N LYS A 122 3.246 -11.201 1.566 1.00 0.00 N ATOM 688 CA LYS A 122 3.793 -10.502 0.410 1.00 0.00 C ATOM 689 C LYS A 122 5.203 -9.997 0.697 1.00 0.00 C ATOM 690 O LYS A 122 6.159 -10.382 0.025 1.00 0.00 O ATOM 691 CB LYS A 122 2.889 -9.330 0.021 1.00 0.00 C ATOM 692 CG LYS A 122 1.728 -9.728 -0.873 1.00 0.00 C ATOM 693 CD LYS A 122 0.733 -8.590 -1.034 1.00 0.00 C ATOM 694 CE LYS A 122 -0.653 -9.108 -1.388 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.700 -9.670 -2.766 1.00 0.00 N ATOM 0 H LYS A 122 2.316 -10.889 1.845 1.00 0.00 H new ATOM 0 HA LYS A 122 3.840 -11.207 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.497 -8.868 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.487 -8.575 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.106 -10.023 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.223 -10.597 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.683 -8.016 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.079 -7.910 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.947 -9.876 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.377 -8.297 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.661 -10.012 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.444 -8.931 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.028 -10.460 -2.842 1.00 0.00 H new ATOM 709 N MET A 123 5.325 -9.133 1.700 1.00 0.00 N ATOM 710 CA MET A 123 6.620 -8.578 2.077 1.00 0.00 C ATOM 711 C MET A 123 7.699 -9.656 2.060 1.00 0.00 C ATOM 712 O MET A 123 8.649 -9.583 1.280 1.00 0.00 O ATOM 713 CB MET A 123 6.540 -7.941 3.466 1.00 0.00 C ATOM 714 CG MET A 123 5.583 -6.763 3.540 1.00 0.00 C ATOM 715 SD MET A 123 6.382 -5.194 3.152 1.00 0.00 S ATOM 716 CE MET A 123 7.210 -4.843 4.702 1.00 0.00 C ATOM 0 H MET A 123 4.543 -8.802 2.266 1.00 0.00 H new ATOM 0 HA MET A 123 6.886 -7.812 1.349 1.00 0.00 H new ATOM 0 HB2 MET A 123 6.228 -8.697 4.186 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.535 -7.609 3.762 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.757 -6.927 2.848 1.00 0.00 H new ATOM 0 HG3 MET A 123 5.154 -6.710 4.541 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.706 -3.875 4.638 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.478 -4.823 5.509 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.950 -5.618 4.903 1.00 0.00 H new ATOM 726 N ARG A 124 7.547 -10.653 2.924 1.00 0.00 N ATOM 727 CA ARG A 124 8.510 -11.745 3.009 1.00 0.00 C ATOM 728 C ARG A 124 8.998 -12.147 1.620 1.00 0.00 C ATOM 729 O ARG A 124 10.195 -12.333 1.403 1.00 0.00 O ATOM 730 CB ARG A 124 7.885 -12.952 3.711 1.00 0.00 C ATOM 731 CG ARG A 124 8.090 -12.954 5.217 1.00 0.00 C ATOM 732 CD ARG A 124 9.544 -13.213 5.580 1.00 0.00 C ATOM 733 NE ARG A 124 9.895 -14.626 5.461 1.00 0.00 N ATOM 734 CZ ARG A 124 10.358 -15.176 4.345 1.00 0.00 C ATOM 735 NH1 ARG A 124 10.526 -14.437 3.257 1.00 0.00 N ATOM 736 NH2 ARG A 124 10.655 -16.469 4.315 1.00 0.00 N ATOM 0 H ARG A 124 6.766 -10.728 3.576 1.00 0.00 H new ATOM 0 HA ARG A 124 9.365 -11.399 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 124 6.816 -12.972 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 124 8.310 -13.865 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.776 -11.995 5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.459 -13.718 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 124 10.190 -12.623 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.728 -12.879 6.601 1.00 0.00 H new ATOM 0 HE ARG A 124 9.778 -15.223 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 124 10.299 -13.443 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 124 10.882 -14.863 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 124 10.528 -17.041 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 124 11.011 -16.891 3.457 1.00 0.00 H new ATOM 750 N GLU A 125 8.063 -12.281 0.685 1.00 0.00 N ATOM 751 CA GLU A 125 8.399 -12.662 -0.682 1.00 0.00 C ATOM 752 C GLU A 125 9.235 -11.580 -1.359 1.00 0.00 C ATOM 753 O GLU A 125 10.299 -11.857 -1.913 1.00 0.00 O ATOM 754 CB GLU A 125 7.126 -12.920 -1.491 1.00 0.00 C ATOM 755 CG GLU A 125 6.275 -14.052 -0.941 1.00 0.00 C ATOM 756 CD GLU A 125 6.966 -15.399 -1.029 1.00 0.00 C ATOM 757 OE1 GLU A 125 7.753 -15.600 -1.978 1.00 0.00 O ATOM 758 OE2 GLU A 125 6.721 -16.251 -0.151 1.00 0.00 O ATOM 0 H GLU A 125 7.067 -12.132 0.849 1.00 0.00 H new ATOM 0 HA GLU A 125 8.987 -13.579 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.530 -12.008 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.400 -13.150 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.027 -13.842 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.334 -14.094 -1.490 1.00 0.00 H new ATOM 765 N LYS A 126 8.745 -10.346 -1.311 1.00 0.00 N ATOM 766 CA LYS A 126 9.445 -9.220 -1.919 1.00 0.00 C ATOM 767 C LYS A 126 10.876 -9.124 -1.399 1.00 0.00 C ATOM 768 O LYS A 126 11.817 -8.956 -2.172 1.00 0.00 O ATOM 769 CB LYS A 126 8.698 -7.915 -1.634 1.00 0.00 C ATOM 770 CG LYS A 126 7.617 -7.598 -2.652 1.00 0.00 C ATOM 771 CD LYS A 126 6.325 -8.335 -2.342 1.00 0.00 C ATOM 772 CE LYS A 126 5.562 -8.681 -3.611 1.00 0.00 C ATOM 773 NZ LYS A 126 4.602 -7.608 -3.991 1.00 0.00 N ATOM 0 H LYS A 126 7.865 -10.100 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 126 9.479 -9.384 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.247 -7.973 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.414 -7.094 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.430 -6.524 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.963 -7.872 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.549 -9.248 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.699 -7.719 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.267 -8.843 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.022 -9.617 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.671 -8.028 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.517 -6.926 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.947 -7.119 -4.842 1.00 0.00 H new ATOM 787 N GLY A 127 11.031 -9.234 -0.083 1.00 0.00 N ATOM 788 CA GLY A 127 12.350 -9.158 0.517 1.00 0.00 C ATOM 789 C GLY A 127 12.336 -8.459 1.862 1.00 0.00 C ATOM 790 O GLY A 127 13.300 -7.789 2.232 1.00 0.00 O ATOM 0 H GLY A 127 10.267 -9.374 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.749 -10.165 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.023 -8.628 -0.157 1.00 0.00 H new ATOM 794 N PHE A 128 11.239 -8.615 2.596 1.00 0.00 N ATOM 795 CA PHE A 128 11.102 -7.991 3.908 1.00 0.00 C ATOM 796 C PHE A 128 10.346 -8.905 4.868 1.00 0.00 C ATOM 797 O PHE A 128 9.128 -9.056 4.768 1.00 0.00 O ATOM 798 CB PHE A 128 10.378 -6.649 3.785 1.00 0.00 C ATOM 799 CG PHE A 128 11.048 -5.690 2.843 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.385 -5.364 3.001 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.340 -5.115 1.799 1.00 0.00 C ATOM 802 CE1 PHE A 128 13.005 -4.482 2.136 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.955 -4.233 0.931 1.00 0.00 C ATOM 804 CZ PHE A 128 12.288 -3.915 1.100 1.00 0.00 C ATOM 0 H PHE A 128 10.432 -9.168 2.305 1.00 0.00 H new ATOM 0 HA PHE A 128 12.101 -7.820 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.357 -6.826 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.311 -6.190 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.950 -5.804 3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.297 -5.359 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 128 14.048 -4.236 2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.393 -3.793 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.769 -3.224 0.424 1.00 0.00 H new ATOM 814 N ASP A 129 11.076 -9.511 5.797 1.00 0.00 N ATOM 815 CA ASP A 129 10.476 -10.409 6.777 1.00 0.00 C ATOM 816 C ASP A 129 9.934 -9.628 7.970 1.00 0.00 C ATOM 817 O ASP A 129 10.683 -9.262 8.876 1.00 0.00 O ATOM 818 CB ASP A 129 11.500 -11.441 7.249 1.00 0.00 C ATOM 819 CG ASP A 129 12.736 -10.798 7.847 1.00 0.00 C ATOM 820 OD1 ASP A 129 13.343 -9.938 7.174 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.097 -11.155 8.988 1.00 0.00 O ATOM 0 H ASP A 129 12.085 -9.397 5.892 1.00 0.00 H new ATOM 0 HA ASP A 129 9.645 -10.927 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.039 -12.094 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.792 -12.070 6.408 1.00 0.00 H new ATOM 826 N ARG A 130 8.630 -9.375 7.962 1.00 0.00 N ATOM 827 CA ARG A 130 7.988 -8.635 9.043 1.00 0.00 C ATOM 828 C ARG A 130 6.676 -9.297 9.451 1.00 0.00 C ATOM 829 O ARG A 130 5.801 -9.529 8.617 1.00 0.00 O ATOM 830 CB ARG A 130 7.732 -7.188 8.617 1.00 0.00 C ATOM 831 CG ARG A 130 8.982 -6.324 8.611 1.00 0.00 C ATOM 832 CD ARG A 130 9.446 -6.006 10.023 1.00 0.00 C ATOM 833 NE ARG A 130 10.153 -7.129 10.633 1.00 0.00 N ATOM 834 CZ ARG A 130 10.284 -7.291 11.945 1.00 0.00 C ATOM 835 NH1 ARG A 130 9.757 -6.406 12.781 1.00 0.00 N ATOM 836 NH2 ARG A 130 10.941 -8.339 12.424 1.00 0.00 N ATOM 0 H ARG A 130 7.997 -9.671 7.219 1.00 0.00 H new ATOM 0 HA ARG A 130 8.659 -8.640 9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.293 -7.184 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.998 -6.745 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.778 -6.838 8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.782 -5.396 8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 130 10.100 -5.134 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.585 -5.743 10.637 1.00 0.00 H new ATOM 0 HE ARG A 130 10.569 -7.828 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.250 -5.599 12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.859 -6.532 13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.347 -9.022 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.040 -8.462 13.432 1.00 0.00 H new ATOM 850 N SER A 131 6.546 -9.599 10.739 1.00 0.00 N ATOM 851 CA SER A 131 5.342 -10.238 11.257 1.00 0.00 C ATOM 852 C SER A 131 4.100 -9.430 10.896 1.00 0.00 C ATOM 853 O SER A 131 4.170 -8.241 10.584 1.00 0.00 O ATOM 854 CB SER A 131 5.437 -10.398 12.775 1.00 0.00 C ATOM 855 OG SER A 131 6.062 -11.622 13.121 1.00 0.00 O ATOM 0 H SER A 131 7.260 -9.411 11.443 1.00 0.00 H new ATOM 0 HA SER A 131 5.258 -11.224 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.001 -9.566 13.197 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.439 -10.360 13.211 1.00 0.00 H new ATOM 0 HG SER A 131 6.112 -11.699 14.097 1.00 0.00 H new ATOM 861 N PRO A 132 2.933 -10.090 10.939 1.00 0.00 N ATOM 862 CA PRO A 132 1.651 -9.453 10.620 1.00 0.00 C ATOM 863 C PRO A 132 1.229 -8.439 11.677 1.00 0.00 C ATOM 864 O PRO A 132 0.894 -7.297 11.359 1.00 0.00 O ATOM 865 CB PRO A 132 0.671 -10.629 10.584 1.00 0.00 C ATOM 866 CG PRO A 132 1.287 -11.663 11.461 1.00 0.00 C ATOM 867 CD PRO A 132 2.774 -11.508 11.302 1.00 0.00 C ATOM 0 HA PRO A 132 1.696 -8.889 9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.313 -10.335 10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.536 -11.001 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.989 -11.522 12.500 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.966 -12.663 11.170 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.304 -11.749 12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.166 -12.167 10.528 1.00 0.00 H new ATOM 875 N THR A 133 1.246 -8.863 12.937 1.00 0.00 N ATOM 876 CA THR A 133 0.864 -7.991 14.041 1.00 0.00 C ATOM 877 C THR A 133 1.618 -6.668 13.984 1.00 0.00 C ATOM 878 O THR A 133 1.029 -5.600 14.146 1.00 0.00 O ATOM 879 CB THR A 133 1.129 -8.661 15.403 1.00 0.00 C ATOM 880 OG1 THR A 133 2.310 -9.469 15.330 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.054 -9.520 15.823 1.00 0.00 C ATOM 0 H THR A 133 1.520 -9.804 13.218 1.00 0.00 H new ATOM 0 HA THR A 133 -0.204 -7.801 13.938 1.00 0.00 H new ATOM 0 HB THR A 133 1.271 -7.877 16.147 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.473 -9.890 16.200 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.156 -9.983 16.787 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.945 -8.897 15.906 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.223 -10.297 15.077 1.00 0.00 H new ATOM 889 N MET A 134 2.924 -6.746 13.750 1.00 0.00 N ATOM 890 CA MET A 134 3.759 -5.552 13.669 1.00 0.00 C ATOM 891 C MET A 134 3.159 -4.534 12.705 1.00 0.00 C ATOM 892 O MET A 134 3.077 -3.345 13.014 1.00 0.00 O ATOM 893 CB MET A 134 5.174 -5.923 13.223 1.00 0.00 C ATOM 894 CG MET A 134 5.866 -6.908 14.151 1.00 0.00 C ATOM 895 SD MET A 134 6.061 -6.266 15.825 1.00 0.00 S ATOM 896 CE MET A 134 7.267 -4.970 15.552 1.00 0.00 C ATOM 0 H MET A 134 3.427 -7.623 13.613 1.00 0.00 H new ATOM 0 HA MET A 134 3.805 -5.103 14.661 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.130 -6.350 12.221 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.775 -5.016 13.157 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.291 -7.834 14.186 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.846 -7.156 13.745 1.00 0.00 H new ATOM 0 HE1 MET A 134 7.689 -4.659 16.507 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.063 -5.344 14.908 1.00 0.00 H new ATOM 0 HE3 MET A 134 6.784 -4.118 15.074 1.00 0.00 H new ATOM 906 N CYS A 135 2.741 -5.008 11.536 1.00 0.00 N ATOM 907 CA CYS A 135 2.149 -4.138 10.526 1.00 0.00 C ATOM 908 C CYS A 135 0.834 -3.546 11.021 1.00 0.00 C ATOM 909 O CYS A 135 0.535 -2.377 10.777 1.00 0.00 O ATOM 910 CB CYS A 135 1.917 -4.914 9.228 1.00 0.00 C ATOM 911 SG CYS A 135 3.437 -5.380 8.365 1.00 0.00 S ATOM 0 H CYS A 135 2.801 -5.989 11.265 1.00 0.00 H new ATOM 0 HA CYS A 135 2.844 -3.321 10.333 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.349 -5.816 9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.304 -4.309 8.560 1.00 0.00 H new ATOM 0 HG CYS A 135 3.138 -6.033 7.282 1.00 0.00 H new ATOM 917 N THR A 136 0.048 -4.363 11.716 1.00 0.00 N ATOM 918 CA THR A 136 -1.237 -3.921 12.243 1.00 0.00 C ATOM 919 C THR A 136 -1.066 -2.741 13.193 1.00 0.00 C ATOM 920 O THR A 136 -1.656 -1.679 12.991 1.00 0.00 O ATOM 921 CB THR A 136 -1.962 -5.061 12.985 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.170 -6.167 12.099 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.298 -4.585 13.534 1.00 0.00 C ATOM 0 H THR A 136 0.279 -5.334 11.927 1.00 0.00 H new ATOM 0 HA THR A 136 -1.839 -3.612 11.389 1.00 0.00 H new ATOM 0 HB THR A 136 -1.337 -5.378 13.820 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.585 -5.849 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.791 -5.406 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.133 -3.762 14.230 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.928 -4.244 12.713 1.00 0.00 H new ATOM 931 N ASP A 137 -0.256 -2.933 14.228 1.00 0.00 N ATOM 932 CA ASP A 137 -0.005 -1.882 15.208 1.00 0.00 C ATOM 933 C ASP A 137 0.674 -0.682 14.556 1.00 0.00 C ATOM 934 O ASP A 137 0.180 0.443 14.634 1.00 0.00 O ATOM 935 CB ASP A 137 0.861 -2.417 16.350 1.00 0.00 C ATOM 936 CG ASP A 137 0.723 -1.593 17.615 1.00 0.00 C ATOM 937 OD1 ASP A 137 -0.416 -1.449 18.108 1.00 0.00 O ATOM 938 OD2 ASP A 137 1.754 -1.094 18.112 1.00 0.00 O ATOM 0 H ASP A 137 0.238 -3.806 14.410 1.00 0.00 H new ATOM 0 HA ASP A 137 -0.964 -1.558 15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.583 -3.450 16.560 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.905 -2.426 16.037 1.00 0.00 H new ATOM 943 N LYS A 138 1.811 -0.929 13.914 1.00 0.00 N ATOM 944 CA LYS A 138 2.560 0.130 13.248 1.00 0.00 C ATOM 945 C LYS A 138 1.640 0.986 12.383 1.00 0.00 C ATOM 946 O LYS A 138 1.658 2.214 12.467 1.00 0.00 O ATOM 947 CB LYS A 138 3.676 -0.468 12.389 1.00 0.00 C ATOM 948 CG LYS A 138 4.383 0.552 11.513 1.00 0.00 C ATOM 949 CD LYS A 138 5.219 1.513 12.342 1.00 0.00 C ATOM 950 CE LYS A 138 6.391 2.063 11.543 1.00 0.00 C ATOM 951 NZ LYS A 138 7.482 2.556 12.428 1.00 0.00 N ATOM 0 H LYS A 138 2.234 -1.854 13.841 1.00 0.00 H new ATOM 0 HA LYS A 138 3.002 0.765 14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.408 -0.945 13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.256 -1.250 11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.022 0.037 10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.646 1.112 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.594 2.337 12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.591 1.001 13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.780 1.285 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.046 2.876 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 8.262 2.923 11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 7.118 3.316 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.829 1.774 13.019 1.00 0.00 H new ATOM 965 N TRP A 139 0.838 0.329 11.553 1.00 0.00 N ATOM 966 CA TRP A 139 -0.090 1.031 10.673 1.00 0.00 C ATOM 967 C TRP A 139 -0.952 2.011 11.461 1.00 0.00 C ATOM 968 O TRP A 139 -0.997 3.201 11.149 1.00 0.00 O ATOM 969 CB TRP A 139 -0.980 0.029 9.935 1.00 0.00 C ATOM 970 CG TRP A 139 -2.074 0.679 9.142 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.409 0.672 9.428 1.00 0.00 C ATOM 972 CD2 TRP A 139 -1.925 1.429 7.931 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.099 1.372 8.468 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.212 1.848 7.540 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.830 1.790 7.142 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.430 2.607 6.393 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.049 2.543 6.004 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.340 2.946 5.639 1.00 0.00 C ATOM 0 H TRP A 139 0.811 -0.687 11.471 1.00 0.00 H new ATOM 0 HA TRP A 139 0.494 1.594 9.945 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.363 -0.571 9.266 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.423 -0.655 10.659 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.857 0.187 10.283 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.109 1.514 8.450 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.169 1.486 7.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.425 2.917 6.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.210 2.826 5.385 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.478 3.536 4.745 1.00 0.00 H new ATOM 989 N ARG A 140 -1.634 1.504 12.483 1.00 0.00 N ATOM 990 CA ARG A 140 -2.495 2.336 13.315 1.00 0.00 C ATOM 991 C ARG A 140 -1.778 3.618 13.727 1.00 0.00 C ATOM 992 O ARG A 140 -2.353 4.705 13.681 1.00 0.00 O ATOM 993 CB ARG A 140 -2.938 1.564 14.559 1.00 0.00 C ATOM 994 CG ARG A 140 -4.227 0.782 14.363 1.00 0.00 C ATOM 995 CD ARG A 140 -4.658 0.090 15.647 1.00 0.00 C ATOM 996 NE ARG A 140 -5.476 0.959 16.489 1.00 0.00 N ATOM 997 CZ ARG A 140 -4.972 1.798 17.386 1.00 0.00 C ATOM 998 NH1 ARG A 140 -3.660 1.883 17.556 1.00 0.00 N ATOM 999 NH2 ARG A 140 -5.781 2.556 18.115 1.00 0.00 N ATOM 0 H ARG A 140 -1.607 0.521 12.755 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.375 2.604 12.730 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.145 0.875 14.850 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.070 2.265 15.383 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.016 1.456 14.029 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.088 0.040 13.577 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.220 -0.811 15.402 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.775 -0.226 16.202 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.490 0.919 16.382 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -3.035 1.303 16.997 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -3.276 2.529 18.246 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.791 2.494 17.986 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -5.393 3.200 18.804 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.519 3.483 14.132 1.00 0.00 N ATOM 1014 CA ASN A 141 0.276 4.630 14.553 1.00 0.00 C ATOM 1015 C ASN A 141 0.423 5.638 13.417 1.00 0.00 C ATOM 1016 O ASN A 141 0.327 6.847 13.629 1.00 0.00 O ATOM 1017 CB ASN A 141 1.658 4.173 15.026 1.00 0.00 C ATOM 1018 CG ASN A 141 2.303 5.167 15.972 1.00 0.00 C ATOM 1019 OD1 ASN A 141 1.698 5.584 16.960 1.00 0.00 O ATOM 1020 ND2 ASN A 141 3.539 5.552 15.674 1.00 0.00 N ATOM 0 H ASN A 141 -0.028 2.590 14.177 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.242 5.115 15.380 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.568 3.208 15.524 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.305 4.026 14.161 1.00 0.00 H new ATOM 0 HD21 ASN A 141 4.024 6.219 16.274 1.00 0.00 H new ATOM 0 HD22 ASN A 141 4.003 5.181 14.845 1.00 0.00 H new ATOM 1027 N LEU A 142 0.655 5.132 12.211 1.00 0.00 N ATOM 1028 CA LEU A 142 0.813 5.987 11.040 1.00 0.00 C ATOM 1029 C LEU A 142 -0.425 6.851 10.825 1.00 0.00 C ATOM 1030 O LEU A 142 -0.328 7.992 10.370 1.00 0.00 O ATOM 1031 CB LEU A 142 1.079 5.137 9.796 1.00 0.00 C ATOM 1032 CG LEU A 142 2.486 4.553 9.670 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.525 3.483 8.590 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.495 5.653 9.371 1.00 0.00 C ATOM 0 H LEU A 142 0.738 4.134 12.018 1.00 0.00 H new ATOM 0 HA LEU A 142 1.665 6.644 11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.364 4.315 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.880 5.747 8.915 1.00 0.00 H new ATOM 0 HG LEU A 142 2.753 4.091 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.534 3.079 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.832 2.682 8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.237 3.920 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.491 5.219 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.231 6.144 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.486 6.384 10.179 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.588 6.302 11.157 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.847 7.023 11.003 1.00 0.00 C ATOM 1048 C LEU A 143 -2.941 8.173 12.001 1.00 0.00 C ATOM 1049 O LEU A 143 -3.338 9.284 11.650 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.029 6.071 11.190 1.00 0.00 C ATOM 1051 CG LEU A 143 -3.950 4.745 10.433 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.108 3.839 10.820 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -3.939 4.988 8.931 1.00 0.00 C ATOM 0 H LEU A 143 -1.686 5.360 11.535 1.00 0.00 H new ATOM 0 HA LEU A 143 -2.879 7.438 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.130 5.854 12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -4.938 6.588 10.883 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.020 4.247 10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.035 2.900 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.070 3.637 11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.051 4.329 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -3.882 4.033 8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -4.852 5.508 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.075 5.598 8.667 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.572 7.898 13.248 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.612 8.909 14.298 1.00 0.00 C ATOM 1067 C LYS A 144 -1.623 10.034 14.008 1.00 0.00 C ATOM 1068 O LYS A 144 -1.940 11.210 14.180 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.298 8.276 15.655 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.961 8.984 16.824 1.00 0.00 C ATOM 1071 CD LYS A 144 -4.331 8.400 17.125 1.00 0.00 C ATOM 1072 CE LYS A 144 -5.270 9.449 17.700 1.00 0.00 C ATOM 1073 NZ LYS A 144 -5.195 9.507 19.186 1.00 0.00 N ATOM 0 H LYS A 144 -2.242 6.983 13.556 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.617 9.331 14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.618 7.234 15.643 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.218 8.276 15.806 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.327 8.902 17.707 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.059 10.046 16.599 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.760 7.987 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.229 7.575 17.831 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.020 10.426 17.286 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.293 9.226 17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.850 10.234 19.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.458 8.582 19.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -4.225 9.745 19.476 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.425 9.663 13.567 1.00 0.00 N ATOM 1088 CA GLU A 145 0.609 10.642 13.253 1.00 0.00 C ATOM 1089 C GLU A 145 0.286 11.377 11.955 1.00 0.00 C ATOM 1090 O GLU A 145 0.587 12.562 11.808 1.00 0.00 O ATOM 1091 CB GLU A 145 1.973 9.958 13.138 1.00 0.00 C ATOM 1092 CG GLU A 145 2.058 8.957 11.998 1.00 0.00 C ATOM 1093 CD GLU A 145 2.293 9.621 10.656 1.00 0.00 C ATOM 1094 OE1 GLU A 145 2.990 10.656 10.619 1.00 0.00 O ATOM 1095 OE2 GLU A 145 1.780 9.104 9.641 1.00 0.00 O ATOM 0 H GLU A 145 -0.147 8.693 13.419 1.00 0.00 H new ATOM 0 HA GLU A 145 0.643 11.369 14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.741 10.719 13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 145 2.194 9.448 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.866 8.253 12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.134 8.379 11.957 1.00 0.00 H new