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 102 MET CE :methyl 168:sc= -0.938 (180deg=-1.26) USER MOD Set 1.2: A 118 GLN : amide:sc= -0.429 X(o=-1.4,f=-1.5) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.47 F(o=-5.8!,f=-2.5) USER MOD Single : A 92 THR OG1 : rot 76:sc= 0.00277 USER MOD Single : A 94 SER OG : rot 161:sc= 0.19 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -2.34! X(o=-2.3!,f=-2.2) USER MOD Single : A 120 SER OG : rot -66:sc= 0.509 USER MOD Single : A 121 SER OG : rot 79:sc= 0.336 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 170:sc= 0 (180deg=-0.174) USER MOD Single : A 126 LYS NZ :NH3+ -145:sc= 0.544 (180deg=0.0464) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 134 MET CE :methyl 148:sc= -1.72! (180deg=-3.75!) USER MOD Single : A 135 CYS SG : rot 180:sc= -0.374 USER MOD Single : A 136 THR OG1 : rot -44:sc= 0.538 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0655 K(o=-0.066,f=-1.7!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.259 -0.320 12.762 1.00 0.00 N ATOM 109 CA TRP A 87 11.040 -0.302 11.320 1.00 0.00 C ATOM 110 C TRP A 87 11.894 0.770 10.653 1.00 0.00 C ATOM 111 O TRP A 87 12.111 1.844 11.215 1.00 0.00 O ATOM 112 CB TRP A 87 9.561 -0.059 11.011 1.00 0.00 C ATOM 113 CG TRP A 87 8.697 -1.256 11.266 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.551 -1.925 12.448 1.00 0.00 C ATOM 115 CD2 TRP A 87 7.860 -1.927 10.317 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.674 -2.971 12.291 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.236 -2.993 10.993 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.576 -1.730 8.963 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.347 -3.858 10.359 1.00 0.00 C ATOM 120 CZ3 TRP A 87 6.695 -2.589 8.335 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.088 -3.641 9.033 1.00 0.00 C ATOM 0 HA TRP A 87 11.333 -1.273 10.921 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.203 0.774 11.616 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.459 0.238 9.967 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.051 -1.669 13.370 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.394 -3.625 13.022 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.037 -0.920 8.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.879 -4.671 10.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.470 -2.447 7.288 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.402 -4.294 8.514 1.00 0.00 H new ATOM 132 N VAL A 88 12.378 0.472 9.451 1.00 0.00 N ATOM 133 CA VAL A 88 13.208 1.412 8.706 1.00 0.00 C ATOM 134 C VAL A 88 12.419 2.068 7.578 1.00 0.00 C ATOM 135 O VAL A 88 11.433 1.513 7.094 1.00 0.00 O ATOM 136 CB VAL A 88 14.449 0.718 8.115 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.261 0.049 9.213 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.039 -0.292 7.053 1.00 0.00 C ATOM 0 H VAL A 88 12.210 -0.413 8.972 1.00 0.00 H new ATOM 0 HA VAL A 88 13.531 2.178 9.411 1.00 0.00 H new ATOM 0 HB VAL A 88 15.076 1.474 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.134 -0.436 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.586 0.799 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.646 -0.697 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.928 -0.773 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.390 -1.046 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.504 0.219 6.252 1.00 0.00 H new ATOM 148 N GLN A 89 12.862 3.251 7.165 1.00 0.00 N ATOM 149 CA GLN A 89 12.196 3.983 6.093 1.00 0.00 C ATOM 150 C GLN A 89 11.686 3.029 5.018 1.00 0.00 C ATOM 151 O GLN A 89 10.506 3.048 4.667 1.00 0.00 O ATOM 152 CB GLN A 89 13.153 5.003 5.473 1.00 0.00 C ATOM 153 CG GLN A 89 12.675 5.554 4.140 1.00 0.00 C ATOM 154 CD GLN A 89 13.152 4.728 2.962 1.00 0.00 C ATOM 155 OE1 GLN A 89 12.229 4.019 2.323 1.00 0.00 O flip ATOM 156 NE2 GLN A 89 14.338 4.726 2.630 1.00 0.00 N flip ATOM 0 H GLN A 89 13.678 3.723 7.555 1.00 0.00 H new ATOM 0 HA GLN A 89 11.343 4.509 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.291 5.830 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.128 4.536 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.586 5.590 4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.029 6.579 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.014 5.286 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.644 4.164 1.836 1.00 0.00 H new ATOM 165 N ASP A 90 12.581 2.196 4.500 1.00 0.00 N ATOM 166 CA ASP A 90 12.221 1.233 3.465 1.00 0.00 C ATOM 167 C ASP A 90 11.024 0.393 3.898 1.00 0.00 C ATOM 168 O ASP A 90 9.928 0.531 3.355 1.00 0.00 O ATOM 169 CB ASP A 90 13.410 0.325 3.148 1.00 0.00 C ATOM 170 CG ASP A 90 14.445 1.008 2.276 1.00 0.00 C ATOM 171 OD1 ASP A 90 14.224 1.095 1.050 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.476 1.456 2.820 1.00 0.00 O ATOM 0 H ASP A 90 13.562 2.168 4.780 1.00 0.00 H new ATOM 0 HA ASP A 90 11.947 1.787 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.878 0.006 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.053 -0.574 2.646 1.00 0.00 H new ATOM 177 N GLU A 91 11.242 -0.479 4.878 1.00 0.00 N ATOM 178 CA GLU A 91 10.181 -1.343 5.382 1.00 0.00 C ATOM 179 C GLU A 91 8.872 -0.571 5.521 1.00 0.00 C ATOM 180 O GLU A 91 7.820 -1.022 5.066 1.00 0.00 O ATOM 181 CB GLU A 91 10.578 -1.942 6.732 1.00 0.00 C ATOM 182 CG GLU A 91 11.616 -3.047 6.625 1.00 0.00 C ATOM 183 CD GLU A 91 11.641 -3.944 7.847 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.455 -3.427 8.968 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.846 -5.165 7.682 1.00 0.00 O ATOM 0 H GLU A 91 12.143 -0.606 5.338 1.00 0.00 H new ATOM 0 HA GLU A 91 10.033 -2.150 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.967 -1.150 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.688 -2.337 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.410 -3.650 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.601 -2.602 6.485 1.00 0.00 H new ATOM 192 N THR A 92 8.943 0.595 6.156 1.00 0.00 N ATOM 193 CA THR A 92 7.765 1.429 6.357 1.00 0.00 C ATOM 194 C THR A 92 7.159 1.855 5.025 1.00 0.00 C ATOM 195 O THR A 92 5.938 1.929 4.884 1.00 0.00 O ATOM 196 CB THR A 92 8.102 2.686 7.181 1.00 0.00 C ATOM 197 OG1 THR A 92 8.584 2.309 8.476 1.00 0.00 O ATOM 198 CG2 THR A 92 6.879 3.579 7.330 1.00 0.00 C ATOM 0 H THR A 92 9.805 0.983 6.540 1.00 0.00 H new ATOM 0 HA THR A 92 7.041 0.827 6.906 1.00 0.00 H new ATOM 0 HB THR A 92 8.877 3.242 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.508 1.990 8.401 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.141 4.460 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.532 3.888 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.086 3.029 7.837 1.00 0.00 H new ATOM 206 N ARG A 93 8.018 2.135 4.051 1.00 0.00 N ATOM 207 CA ARG A 93 7.566 2.555 2.730 1.00 0.00 C ATOM 208 C ARG A 93 6.883 1.403 1.998 1.00 0.00 C ATOM 209 O ARG A 93 5.814 1.574 1.413 1.00 0.00 O ATOM 210 CB ARG A 93 8.746 3.070 1.904 1.00 0.00 C ATOM 211 CG ARG A 93 8.997 4.561 2.065 1.00 0.00 C ATOM 212 CD ARG A 93 7.859 5.383 1.481 1.00 0.00 C ATOM 213 NE ARG A 93 8.150 6.814 1.504 1.00 0.00 N ATOM 214 CZ ARG A 93 7.310 7.742 1.059 1.00 0.00 C ATOM 215 NH1 ARG A 93 6.133 7.391 0.559 1.00 0.00 N ATOM 216 NH2 ARG A 93 7.647 9.025 1.114 1.00 0.00 N ATOM 0 H ARG A 93 9.031 2.079 4.152 1.00 0.00 H new ATOM 0 HA ARG A 93 6.843 3.360 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.645 2.525 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.565 2.852 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.114 4.799 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.931 4.829 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.673 5.067 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.946 5.190 2.044 1.00 0.00 H new ATOM 0 HE ARG A 93 9.047 7.117 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.871 6.406 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.490 8.106 0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.551 9.299 1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.002 9.737 0.772 1.00 0.00 H new ATOM 230 N SER A 94 7.509 0.231 2.036 1.00 0.00 N ATOM 231 CA SER A 94 6.964 -0.948 1.372 1.00 0.00 C ATOM 232 C SER A 94 5.588 -1.298 1.930 1.00 0.00 C ATOM 233 O SER A 94 4.641 -1.530 1.178 1.00 0.00 O ATOM 234 CB SER A 94 7.912 -2.137 1.539 1.00 0.00 C ATOM 235 OG SER A 94 7.790 -3.043 0.456 1.00 0.00 O ATOM 0 H SER A 94 8.393 0.072 2.519 1.00 0.00 H new ATOM 0 HA SER A 94 6.860 -0.722 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.940 -1.780 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.693 -2.652 2.474 1.00 0.00 H new ATOM 0 HG SER A 94 8.588 -3.611 0.413 1.00 0.00 H new ATOM 241 N LEU A 95 5.485 -1.333 3.254 1.00 0.00 N ATOM 242 CA LEU A 95 4.225 -1.655 3.915 1.00 0.00 C ATOM 243 C LEU A 95 3.112 -0.721 3.450 1.00 0.00 C ATOM 244 O LEU A 95 2.176 -1.145 2.772 1.00 0.00 O ATOM 245 CB LEU A 95 4.384 -1.560 5.434 1.00 0.00 C ATOM 246 CG LEU A 95 3.088 -1.523 6.244 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.222 -2.731 5.922 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.391 -1.463 7.734 1.00 0.00 C ATOM 0 H LEU A 95 6.259 -1.142 3.891 1.00 0.00 H new ATOM 0 HA LEU A 95 3.953 -2.676 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.975 -2.411 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.958 -0.662 5.664 1.00 0.00 H new ATOM 0 HG LEU A 95 2.537 -0.624 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.304 -2.687 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.975 -2.729 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.765 -3.644 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.457 -1.437 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.964 -2.343 8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.970 -0.565 7.952 1.00 0.00 H new ATOM 260 N ILE A 96 3.223 0.552 3.816 1.00 0.00 N ATOM 261 CA ILE A 96 2.228 1.546 3.433 1.00 0.00 C ATOM 262 C ILE A 96 1.719 1.297 2.017 1.00 0.00 C ATOM 263 O ILE A 96 0.515 1.197 1.789 1.00 0.00 O ATOM 264 CB ILE A 96 2.798 2.974 3.519 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.172 3.312 4.963 1.00 0.00 C ATOM 266 CG2 ILE A 96 1.791 3.979 2.978 1.00 0.00 C ATOM 267 CD1 ILE A 96 3.916 4.621 5.105 1.00 0.00 C ATOM 0 H ILE A 96 3.992 0.919 4.377 1.00 0.00 H new ATOM 0 HA ILE A 96 1.400 1.451 4.135 1.00 0.00 H new ATOM 0 HB ILE A 96 3.700 3.027 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.264 3.353 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.787 2.508 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.208 4.984 3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.569 3.747 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.874 3.927 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.148 4.795 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.842 4.578 4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.295 5.435 4.731 1.00 0.00 H new ATOM 279 N MET A 97 2.647 1.197 1.070 1.00 0.00 N ATOM 280 CA MET A 97 2.292 0.957 -0.324 1.00 0.00 C ATOM 281 C MET A 97 1.311 -0.205 -0.443 1.00 0.00 C ATOM 282 O MET A 97 0.193 -0.039 -0.932 1.00 0.00 O ATOM 283 CB MET A 97 3.547 0.666 -1.149 1.00 0.00 C ATOM 284 CG MET A 97 3.366 0.915 -2.638 1.00 0.00 C ATOM 285 SD MET A 97 3.132 2.660 -3.027 1.00 0.00 S ATOM 286 CE MET A 97 4.831 3.199 -3.199 1.00 0.00 C ATOM 0 H MET A 97 3.649 1.278 1.243 1.00 0.00 H new ATOM 0 HA MET A 97 1.812 1.856 -0.711 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.365 1.286 -0.782 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.840 -0.373 -0.995 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.239 0.541 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.506 0.349 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.853 4.262 -3.441 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.363 3.029 -2.263 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.312 2.635 -3.998 1.00 0.00 H new ATOM 296 N PHE A 98 1.735 -1.380 0.008 1.00 0.00 N ATOM 297 CA PHE A 98 0.894 -2.570 -0.049 1.00 0.00 C ATOM 298 C PHE A 98 -0.476 -2.297 0.565 1.00 0.00 C ATOM 299 O PHE A 98 -1.501 -2.739 0.045 1.00 0.00 O ATOM 300 CB PHE A 98 1.569 -3.734 0.680 1.00 0.00 C ATOM 301 CG PHE A 98 2.657 -4.392 -0.120 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.358 -5.079 -1.286 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.977 -4.323 0.293 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.357 -5.686 -2.024 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.980 -4.928 -0.441 1.00 0.00 C ATOM 306 CZ PHE A 98 4.669 -5.610 -1.601 1.00 0.00 C ATOM 0 H PHE A 98 2.656 -1.534 0.417 1.00 0.00 H new ATOM 0 HA PHE A 98 0.757 -2.837 -1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.988 -3.371 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.815 -4.479 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.333 -5.141 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.226 -3.790 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.111 -6.219 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.006 -4.867 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.451 -6.083 -2.176 1.00 0.00 H new ATOM 316 N ARG A 99 -0.486 -1.567 1.676 1.00 0.00 N ATOM 317 CA ARG A 99 -1.729 -1.237 2.362 1.00 0.00 C ATOM 318 C ARG A 99 -2.647 -0.419 1.459 1.00 0.00 C ATOM 319 O ARG A 99 -3.868 -0.574 1.495 1.00 0.00 O ATOM 320 CB ARG A 99 -1.435 -0.460 3.647 1.00 0.00 C ATOM 321 CG ARG A 99 -2.666 -0.217 4.506 1.00 0.00 C ATOM 322 CD ARG A 99 -3.325 -1.523 4.918 1.00 0.00 C ATOM 323 NE ARG A 99 -4.299 -1.331 5.990 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.548 -0.930 5.784 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.974 -0.681 4.553 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.375 -0.778 6.811 1.00 0.00 N ATOM 0 H ARG A 99 0.353 -1.193 2.120 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.234 -2.169 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.696 -1.008 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.988 0.500 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.385 0.346 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.381 0.394 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.820 -1.968 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.560 -2.227 5.245 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.003 -1.515 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.342 -0.797 3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.934 -0.373 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.051 -0.969 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.334 -0.470 6.652 1.00 0.00 H new ATOM 340 N ARG A 100 -2.052 0.453 0.652 1.00 0.00 N ATOM 341 CA ARG A 100 -2.817 1.297 -0.258 1.00 0.00 C ATOM 342 C ARG A 100 -3.370 0.480 -1.422 1.00 0.00 C ATOM 343 O ARG A 100 -4.551 0.573 -1.753 1.00 0.00 O ATOM 344 CB ARG A 100 -1.942 2.434 -0.790 1.00 0.00 C ATOM 345 CG ARG A 100 -1.503 3.418 0.283 1.00 0.00 C ATOM 346 CD ARG A 100 -0.306 4.239 -0.170 1.00 0.00 C ATOM 347 NE ARG A 100 -0.291 5.566 0.439 1.00 0.00 N ATOM 348 CZ ARG A 100 0.353 6.605 -0.080 1.00 0.00 C ATOM 349 NH1 ARG A 100 1.030 6.472 -1.212 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.321 7.781 0.534 1.00 0.00 N ATOM 0 H ARG A 100 -1.043 0.594 0.610 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.654 1.720 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.058 2.009 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.491 2.973 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.330 4.084 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.250 2.876 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.613 3.712 0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.324 4.338 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.803 5.702 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.057 5.570 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.524 7.272 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.199 7.887 1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.816 8.578 0.135 1.00 0.00 H new ATOM 364 N GLY A 101 -2.506 -0.321 -2.039 1.00 0.00 N ATOM 365 CA GLY A 101 -2.926 -1.143 -3.159 1.00 0.00 C ATOM 366 C GLY A 101 -3.965 -2.174 -2.765 1.00 0.00 C ATOM 367 O GLY A 101 -4.699 -2.681 -3.612 1.00 0.00 O ATOM 0 H GLY A 101 -1.523 -0.415 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.332 -0.504 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.057 -1.650 -3.580 1.00 0.00 H new ATOM 371 N MET A 102 -4.027 -2.485 -1.474 1.00 0.00 N ATOM 372 CA MET A 102 -4.984 -3.463 -0.969 1.00 0.00 C ATOM 373 C MET A 102 -6.162 -2.771 -0.291 1.00 0.00 C ATOM 374 O MET A 102 -7.175 -3.402 0.011 1.00 0.00 O ATOM 375 CB MET A 102 -4.302 -4.415 0.015 1.00 0.00 C ATOM 376 CG MET A 102 -3.689 -5.638 -0.649 1.00 0.00 C ATOM 377 SD MET A 102 -3.064 -6.836 0.545 1.00 0.00 S ATOM 378 CE MET A 102 -4.595 -7.553 1.138 1.00 0.00 C ATOM 0 H MET A 102 -3.426 -2.074 -0.759 1.00 0.00 H new ATOM 0 HA MET A 102 -5.361 -4.036 -1.816 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.522 -3.873 0.551 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.031 -4.741 0.757 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.437 -6.117 -1.281 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.875 -5.323 -1.302 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.376 -8.449 1.718 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.115 -6.831 1.767 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.227 -7.816 0.289 1.00 0.00 H new ATOM 388 N ASP A 103 -6.023 -1.471 -0.055 1.00 0.00 N ATOM 389 CA ASP A 103 -7.076 -0.693 0.587 1.00 0.00 C ATOM 390 C ASP A 103 -8.449 -1.102 0.062 1.00 0.00 C ATOM 391 O ASP A 103 -9.399 -1.251 0.830 1.00 0.00 O ATOM 392 CB ASP A 103 -6.851 0.801 0.352 1.00 0.00 C ATOM 393 CG ASP A 103 -7.556 1.305 -0.892 1.00 0.00 C ATOM 394 OD1 ASP A 103 -7.280 0.773 -1.988 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.385 2.231 -0.770 1.00 0.00 O ATOM 0 H ASP A 103 -5.191 -0.934 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.041 -0.893 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.206 1.359 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.782 0.995 0.264 1.00 0.00 H new ATOM 400 N GLY A 104 -8.546 -1.280 -1.252 1.00 0.00 N ATOM 401 CA GLY A 104 -9.807 -1.668 -1.857 1.00 0.00 C ATOM 402 C GLY A 104 -10.504 -2.772 -1.086 1.00 0.00 C ATOM 403 O GLY A 104 -11.720 -2.731 -0.891 1.00 0.00 O ATOM 0 H GLY A 104 -7.774 -1.162 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.462 -0.799 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.629 -2.000 -2.880 1.00 0.00 H new ATOM 407 N LEU A 105 -9.735 -3.762 -0.648 1.00 0.00 N ATOM 408 CA LEU A 105 -10.286 -4.884 0.104 1.00 0.00 C ATOM 409 C LEU A 105 -10.667 -4.456 1.518 1.00 0.00 C ATOM 410 O LEU A 105 -11.657 -4.931 2.075 1.00 0.00 O ATOM 411 CB LEU A 105 -9.275 -6.031 0.161 1.00 0.00 C ATOM 412 CG LEU A 105 -8.989 -6.740 -1.163 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.672 -7.498 -1.089 1.00 0.00 C ATOM 414 CD2 LEU A 105 -10.129 -7.682 -1.520 1.00 0.00 C ATOM 0 H LEU A 105 -8.728 -3.811 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.186 -5.226 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.335 -5.641 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.635 -6.771 0.876 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.907 -5.987 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.485 -7.996 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.862 -6.800 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.724 -8.242 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.909 -8.178 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.242 -8.430 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -11.054 -7.114 -1.616 1.00 0.00 H new ATOM 426 N PHE A 106 -9.877 -3.555 2.091 1.00 0.00 N ATOM 427 CA PHE A 106 -10.133 -3.061 3.439 1.00 0.00 C ATOM 428 C PHE A 106 -11.376 -2.177 3.468 1.00 0.00 C ATOM 429 O PHE A 106 -12.059 -2.081 4.487 1.00 0.00 O ATOM 430 CB PHE A 106 -8.925 -2.278 3.957 1.00 0.00 C ATOM 431 CG PHE A 106 -7.750 -3.148 4.303 1.00 0.00 C ATOM 432 CD1 PHE A 106 -6.864 -3.562 3.322 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.533 -3.553 5.611 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.782 -4.362 3.637 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.453 -4.353 5.932 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.577 -4.759 4.944 1.00 0.00 C ATOM 0 H PHE A 106 -9.054 -3.152 1.643 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.305 -3.921 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.621 -1.554 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.221 -1.712 4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.021 -3.256 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.215 -3.240 6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.098 -4.676 2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.294 -4.661 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.733 -5.386 5.193 1.00 0.00 H new ATOM 532 N LYS A 113 -8.779 -9.344 8.419 1.00 0.00 N ATOM 533 CA LYS A 113 -7.849 -10.330 8.958 1.00 0.00 C ATOM 534 C LYS A 113 -7.018 -10.960 7.846 1.00 0.00 C ATOM 535 O LYS A 113 -5.801 -10.781 7.790 1.00 0.00 O ATOM 536 CB LYS A 113 -8.612 -11.417 9.718 1.00 0.00 C ATOM 537 CG LYS A 113 -9.567 -10.872 10.766 1.00 0.00 C ATOM 538 CD LYS A 113 -8.885 -10.717 12.115 1.00 0.00 C ATOM 539 CE LYS A 113 -8.258 -9.340 12.268 1.00 0.00 C ATOM 540 NZ LYS A 113 -9.211 -8.358 12.856 1.00 0.00 N ATOM 0 HA LYS A 113 -7.175 -9.819 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.174 -12.020 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.896 -12.081 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.954 -9.907 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -10.422 -11.541 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.611 -10.878 12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.117 -11.482 12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.374 -9.412 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.924 -8.983 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.745 -7.432 12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.043 -8.270 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.511 -8.685 13.797 1.00 0.00 H new ATOM 554 N HIS A 114 -7.682 -11.696 6.961 1.00 0.00 N ATOM 555 CA HIS A 114 -7.004 -12.351 5.848 1.00 0.00 C ATOM 556 C HIS A 114 -6.134 -11.358 5.082 1.00 0.00 C ATOM 557 O HIS A 114 -5.141 -11.738 4.460 1.00 0.00 O ATOM 558 CB HIS A 114 -8.025 -12.986 4.903 1.00 0.00 C ATOM 559 CG HIS A 114 -8.688 -12.002 3.989 1.00 0.00 C ATOM 560 ND1 HIS A 114 -9.627 -11.089 4.419 1.00 0.00 N ATOM 561 CD2 HIS A 114 -8.542 -11.791 2.660 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.031 -10.359 3.395 1.00 0.00 C ATOM 563 NE2 HIS A 114 -9.387 -10.765 2.315 1.00 0.00 N ATOM 0 H HIS A 114 -8.689 -11.854 6.993 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.362 -13.132 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.528 -13.748 4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.788 -13.493 5.493 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.883 -12.329 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.763 -9.566 3.434 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.499 -10.379 1.378 1.00 0.00 H new ATOM 571 N LEU A 115 -6.513 -10.086 5.131 1.00 0.00 N ATOM 572 CA LEU A 115 -5.768 -9.039 4.442 1.00 0.00 C ATOM 573 C LEU A 115 -4.433 -8.777 5.132 1.00 0.00 C ATOM 574 O LEU A 115 -3.383 -8.762 4.488 1.00 0.00 O ATOM 575 CB LEU A 115 -6.590 -7.750 4.391 1.00 0.00 C ATOM 576 CG LEU A 115 -7.937 -7.841 3.673 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.743 -6.568 3.886 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.733 -8.102 2.188 1.00 0.00 C ATOM 0 H LEU A 115 -7.332 -9.755 5.641 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.570 -9.377 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.768 -7.415 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.992 -6.980 3.903 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.496 -8.676 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.698 -6.651 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.920 -6.423 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.189 -5.716 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.702 -8.164 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.154 -7.288 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.197 -9.041 2.054 1.00 0.00 H new ATOM 590 N TRP A 116 -4.480 -8.573 6.443 1.00 0.00 N ATOM 591 CA TRP A 116 -3.274 -8.313 7.220 1.00 0.00 C ATOM 592 C TRP A 116 -2.244 -9.419 7.012 1.00 0.00 C ATOM 593 O TRP A 116 -1.089 -9.149 6.683 1.00 0.00 O ATOM 594 CB TRP A 116 -3.615 -8.192 8.706 1.00 0.00 C ATOM 595 CG TRP A 116 -4.103 -6.828 9.093 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.246 -6.531 9.780 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.463 -5.578 8.815 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.354 -5.171 9.945 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.273 -4.564 9.363 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.283 -5.217 8.159 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.940 -3.215 9.272 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -1.954 -3.878 8.070 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.779 -2.890 8.624 1.00 0.00 C ATOM 0 H TRP A 116 -5.340 -8.583 6.991 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.846 -7.372 6.875 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.378 -8.928 8.958 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.731 -8.435 9.296 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.959 -7.258 10.140 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.116 -4.691 10.424 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.640 -5.971 7.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.575 -2.452 9.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.045 -3.588 7.564 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.493 -1.852 8.538 1.00 0.00 H new ATOM 614 N GLU A 117 -2.670 -10.663 7.205 1.00 0.00 N ATOM 615 CA GLU A 117 -1.783 -11.808 7.038 1.00 0.00 C ATOM 616 C GLU A 117 -1.270 -11.895 5.603 1.00 0.00 C ATOM 617 O GLU A 117 -0.146 -12.333 5.361 1.00 0.00 O ATOM 618 CB GLU A 117 -2.510 -13.102 7.410 1.00 0.00 C ATOM 619 CG GLU A 117 -3.582 -13.507 6.413 1.00 0.00 C ATOM 620 CD GLU A 117 -4.131 -14.896 6.678 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.346 -15.865 6.618 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.345 -15.013 6.944 1.00 0.00 O ATOM 0 H GLU A 117 -3.623 -10.904 7.477 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.930 -11.674 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.780 -13.907 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.966 -12.983 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.398 -12.785 6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.168 -13.470 5.405 1.00 0.00 H new ATOM 629 N GLN A 118 -2.103 -11.474 4.657 1.00 0.00 N ATOM 630 CA GLN A 118 -1.735 -11.505 3.247 1.00 0.00 C ATOM 631 C GLN A 118 -0.599 -10.528 2.959 1.00 0.00 C ATOM 632 O GLN A 118 0.371 -10.871 2.283 1.00 0.00 O ATOM 633 CB GLN A 118 -2.945 -11.169 2.374 1.00 0.00 C ATOM 634 CG GLN A 118 -2.582 -10.806 0.943 1.00 0.00 C ATOM 635 CD GLN A 118 -3.745 -10.975 -0.015 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.064 -10.070 -0.787 1.00 0.00 O ATOM 637 NE2 GLN A 118 -4.385 -12.137 0.030 1.00 0.00 N ATOM 0 H GLN A 118 -3.037 -11.108 4.841 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.393 -12.512 3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.622 -12.023 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.488 -10.338 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.237 -9.773 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.751 -11.430 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.086 -12.859 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.176 -12.308 -0.591 1.00 0.00 H new ATOM 646 N ILE A 119 -0.727 -9.311 3.477 1.00 0.00 N ATOM 647 CA ILE A 119 0.288 -8.285 3.276 1.00 0.00 C ATOM 648 C ILE A 119 1.643 -8.741 3.808 1.00 0.00 C ATOM 649 O ILE A 119 2.665 -8.601 3.136 1.00 0.00 O ATOM 650 CB ILE A 119 -0.102 -6.963 3.963 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.281 -6.314 3.235 1.00 0.00 C ATOM 652 CG2 ILE A 119 1.088 -6.017 4.006 1.00 0.00 C ATOM 653 CD1 ILE A 119 -1.904 -5.165 3.998 1.00 0.00 C ATOM 0 H ILE A 119 -1.524 -9.012 4.039 1.00 0.00 H new ATOM 0 HA ILE A 119 0.359 -8.118 2.201 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.406 -7.178 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.944 -5.954 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.043 -7.071 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.796 -5.087 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.901 -6.481 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.421 -5.804 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.733 -4.753 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.272 -5.524 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.156 -4.389 4.163 1.00 0.00 H new ATOM 665 N SER A 120 1.643 -9.289 5.019 1.00 0.00 N ATOM 666 CA SER A 120 2.872 -9.764 5.644 1.00 0.00 C ATOM 667 C SER A 120 3.591 -10.759 4.738 1.00 0.00 C ATOM 668 O SER A 120 4.737 -10.542 4.345 1.00 0.00 O ATOM 669 CB SER A 120 2.564 -10.415 6.994 1.00 0.00 C ATOM 670 OG SER A 120 2.053 -11.725 6.824 1.00 0.00 O ATOM 0 H SER A 120 0.805 -9.415 5.587 1.00 0.00 H new ATOM 0 HA SER A 120 3.525 -8.906 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.470 -10.450 7.599 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.841 -9.807 7.538 1.00 0.00 H new ATOM 0 HG SER A 120 1.180 -11.681 6.381 1.00 0.00 H new ATOM 676 N SER A 121 2.909 -11.853 4.412 1.00 0.00 N ATOM 677 CA SER A 121 3.483 -12.885 3.556 1.00 0.00 C ATOM 678 C SER A 121 4.178 -12.264 2.348 1.00 0.00 C ATOM 679 O SER A 121 5.337 -12.563 2.062 1.00 0.00 O ATOM 680 CB SER A 121 2.395 -13.855 3.091 1.00 0.00 C ATOM 681 OG SER A 121 1.732 -14.445 4.196 1.00 0.00 O ATOM 0 H SER A 121 1.959 -12.047 4.728 1.00 0.00 H new ATOM 0 HA SER A 121 4.224 -13.434 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.673 -13.326 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.839 -14.634 2.471 1.00 0.00 H new ATOM 0 HG SER A 121 1.074 -13.815 4.557 1.00 0.00 H new ATOM 687 N LYS A 122 3.460 -11.398 1.641 1.00 0.00 N ATOM 688 CA LYS A 122 4.005 -10.733 0.464 1.00 0.00 C ATOM 689 C LYS A 122 5.367 -10.119 0.768 1.00 0.00 C ATOM 690 O LYS A 122 6.389 -10.560 0.241 1.00 0.00 O ATOM 691 CB LYS A 122 3.042 -9.648 -0.026 1.00 0.00 C ATOM 692 CG LYS A 122 1.997 -10.158 -1.003 1.00 0.00 C ATOM 693 CD LYS A 122 0.787 -9.241 -1.054 1.00 0.00 C ATOM 694 CE LYS A 122 0.973 -8.129 -2.074 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.263 -7.315 -2.240 1.00 0.00 N ATOM 0 H LYS A 122 2.498 -11.140 1.863 1.00 0.00 H new ATOM 0 HA LYS A 122 4.130 -11.480 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.538 -9.206 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.616 -8.853 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.436 -10.238 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.683 -11.160 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.101 -9.822 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.616 -8.807 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.794 -7.483 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.255 -8.561 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.095 -6.568 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.040 -7.926 -2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.518 -6.882 -1.330 1.00 0.00 H new ATOM 709 N MET A 123 5.375 -9.099 1.621 1.00 0.00 N ATOM 710 CA MET A 123 6.614 -8.427 1.996 1.00 0.00 C ATOM 711 C MET A 123 7.774 -9.416 2.052 1.00 0.00 C ATOM 712 O MET A 123 8.802 -9.218 1.405 1.00 0.00 O ATOM 713 CB MET A 123 6.453 -7.735 3.351 1.00 0.00 C ATOM 714 CG MET A 123 5.621 -6.464 3.289 1.00 0.00 C ATOM 715 SD MET A 123 6.618 -4.997 2.966 1.00 0.00 S ATOM 716 CE MET A 123 7.182 -4.600 4.619 1.00 0.00 C ATOM 0 H MET A 123 4.538 -8.720 2.065 1.00 0.00 H new ATOM 0 HA MET A 123 6.836 -7.677 1.237 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.989 -8.429 4.052 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.440 -7.495 3.747 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.867 -6.565 2.508 1.00 0.00 H new ATOM 0 HG3 MET A 123 5.089 -6.336 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.949 -3.827 4.566 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.343 -4.238 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.598 -5.493 5.086 1.00 0.00 H new ATOM 726 N ARG A 124 7.601 -10.481 2.829 1.00 0.00 N ATOM 727 CA ARG A 124 8.635 -11.499 2.969 1.00 0.00 C ATOM 728 C ARG A 124 9.129 -11.965 1.603 1.00 0.00 C ATOM 729 O ARG A 124 10.332 -11.994 1.345 1.00 0.00 O ATOM 730 CB ARG A 124 8.100 -12.692 3.764 1.00 0.00 C ATOM 731 CG ARG A 124 9.187 -13.502 4.451 1.00 0.00 C ATOM 732 CD ARG A 124 8.626 -14.771 5.075 1.00 0.00 C ATOM 733 NE ARG A 124 9.611 -15.848 5.105 1.00 0.00 N ATOM 734 CZ ARG A 124 9.348 -17.073 5.548 1.00 0.00 C ATOM 735 NH1 ARG A 124 8.137 -17.373 5.995 1.00 0.00 N ATOM 736 NH2 ARG A 124 10.298 -17.999 5.543 1.00 0.00 N ATOM 0 H ARG A 124 6.755 -10.661 3.370 1.00 0.00 H new ATOM 0 HA ARG A 124 9.474 -11.058 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.397 -12.332 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.542 -13.344 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 124 9.960 -13.762 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.662 -12.895 5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.291 -14.558 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.751 -15.096 4.512 1.00 0.00 H new ATOM 0 HE ARG A 124 10.553 -15.649 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.405 -16.663 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 124 7.937 -18.314 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.231 -17.771 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 124 10.096 -18.939 5.883 1.00 0.00 H new ATOM 750 N GLU A 125 8.192 -12.329 0.733 1.00 0.00 N ATOM 751 CA GLU A 125 8.533 -12.794 -0.606 1.00 0.00 C ATOM 752 C GLU A 125 9.396 -11.768 -1.335 1.00 0.00 C ATOM 753 O GLU A 125 10.341 -12.123 -2.041 1.00 0.00 O ATOM 754 CB GLU A 125 7.263 -13.074 -1.412 1.00 0.00 C ATOM 755 CG GLU A 125 6.248 -13.928 -0.672 1.00 0.00 C ATOM 756 CD GLU A 125 5.356 -14.719 -1.609 1.00 0.00 C ATOM 757 OE1 GLU A 125 5.860 -15.190 -2.650 1.00 0.00 O ATOM 758 OE2 GLU A 125 4.155 -14.866 -1.302 1.00 0.00 O ATOM 0 H GLU A 125 7.192 -12.311 0.931 1.00 0.00 H new ATOM 0 HA GLU A 125 9.103 -13.718 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.799 -12.126 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.536 -13.573 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.772 -14.616 -0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.630 -13.288 -0.043 1.00 0.00 H new ATOM 765 N LYS A 126 9.065 -10.494 -1.160 1.00 0.00 N ATOM 766 CA LYS A 126 9.808 -9.414 -1.800 1.00 0.00 C ATOM 767 C LYS A 126 11.197 -9.273 -1.187 1.00 0.00 C ATOM 768 O LYS A 126 12.170 -8.996 -1.887 1.00 0.00 O ATOM 769 CB LYS A 126 9.044 -8.095 -1.670 1.00 0.00 C ATOM 770 CG LYS A 126 7.927 -7.935 -2.687 1.00 0.00 C ATOM 771 CD LYS A 126 6.656 -8.632 -2.233 1.00 0.00 C ATOM 772 CE LYS A 126 5.854 -9.155 -3.415 1.00 0.00 C ATOM 773 NZ LYS A 126 4.868 -8.152 -3.904 1.00 0.00 N ATOM 0 H LYS A 126 8.286 -10.183 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 126 9.920 -9.659 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.623 -8.026 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.744 -7.267 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.726 -6.875 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 126 8.245 -8.345 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.910 -9.459 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.045 -7.938 -1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.533 -9.421 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.331 -10.066 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 4.010 -8.640 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.623 -7.501 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.282 -7.614 -4.692 1.00 0.00 H new ATOM 787 N GLY A 127 11.282 -9.465 0.126 1.00 0.00 N ATOM 788 CA GLY A 127 12.557 -9.356 0.811 1.00 0.00 C ATOM 789 C GLY A 127 12.414 -8.816 2.220 1.00 0.00 C ATOM 790 O GLY A 127 13.365 -8.839 3.001 1.00 0.00 O ATOM 0 H GLY A 127 10.491 -9.694 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.031 -10.337 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.218 -8.703 0.240 1.00 0.00 H new ATOM 794 N PHE A 128 11.222 -8.326 2.546 1.00 0.00 N ATOM 795 CA PHE A 128 10.959 -7.775 3.870 1.00 0.00 C ATOM 796 C PHE A 128 10.244 -8.795 4.752 1.00 0.00 C ATOM 797 O PHE A 128 9.044 -9.028 4.602 1.00 0.00 O ATOM 798 CB PHE A 128 10.116 -6.503 3.758 1.00 0.00 C ATOM 799 CG PHE A 128 10.845 -5.356 3.116 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.114 -5.000 3.541 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.260 -4.636 2.087 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.787 -3.946 2.952 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.928 -3.581 1.495 1.00 0.00 C ATOM 804 CZ PHE A 128 12.193 -3.235 1.928 1.00 0.00 C ATOM 0 H PHE A 128 10.424 -8.299 1.912 1.00 0.00 H new ATOM 0 HA PHE A 128 11.916 -7.530 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.218 -6.721 3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.790 -6.204 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.583 -5.552 4.342 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.271 -4.902 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.777 -3.679 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.461 -3.027 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.716 -2.410 1.467 1.00 0.00 H new ATOM 814 N ASP A 129 10.989 -9.401 5.669 1.00 0.00 N ATOM 815 CA ASP A 129 10.428 -10.396 6.575 1.00 0.00 C ATOM 816 C ASP A 129 9.909 -9.739 7.850 1.00 0.00 C ATOM 817 O ASP A 129 10.685 -9.386 8.739 1.00 0.00 O ATOM 818 CB ASP A 129 11.479 -11.452 6.922 1.00 0.00 C ATOM 819 CG ASP A 129 12.864 -10.857 7.089 1.00 0.00 C ATOM 820 OD1 ASP A 129 12.966 -9.618 7.210 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.845 -11.630 7.098 1.00 0.00 O ATOM 0 H ASP A 129 11.984 -9.221 5.805 1.00 0.00 H new ATOM 0 HA ASP A 129 9.592 -10.880 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.191 -11.958 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.504 -12.208 6.137 1.00 0.00 H new ATOM 826 N ARG A 130 8.593 -9.576 7.933 1.00 0.00 N ATOM 827 CA ARG A 130 7.971 -8.959 9.098 1.00 0.00 C ATOM 828 C ARG A 130 6.662 -9.659 9.450 1.00 0.00 C ATOM 829 O ARG A 130 5.940 -10.128 8.570 1.00 0.00 O ATOM 830 CB ARG A 130 7.713 -7.474 8.838 1.00 0.00 C ATOM 831 CG ARG A 130 8.903 -6.584 9.158 1.00 0.00 C ATOM 832 CD ARG A 130 8.994 -6.289 10.647 1.00 0.00 C ATOM 833 NE ARG A 130 10.041 -5.317 10.949 1.00 0.00 N ATOM 834 CZ ARG A 130 11.330 -5.628 11.033 1.00 0.00 C ATOM 835 NH1 ARG A 130 11.728 -6.878 10.837 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.224 -4.688 11.312 1.00 0.00 N ATOM 0 H ARG A 130 7.937 -9.863 7.207 1.00 0.00 H new ATOM 0 HA ARG A 130 8.655 -9.060 9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.440 -7.339 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 130 6.859 -7.152 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.821 -7.069 8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.818 -5.648 8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.035 -5.911 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.191 -7.214 11.189 1.00 0.00 H new ATOM 0 HE ARG A 130 9.768 -4.347 11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 130 11.044 -7.603 10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 130 12.718 -7.114 10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.922 -3.725 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.213 -4.928 11.376 1.00 0.00 H new ATOM 850 N SER A 131 6.362 -9.727 10.744 1.00 0.00 N ATOM 851 CA SER A 131 5.142 -10.374 11.213 1.00 0.00 C ATOM 852 C SER A 131 3.912 -9.554 10.835 1.00 0.00 C ATOM 853 O SER A 131 3.995 -8.360 10.545 1.00 0.00 O ATOM 854 CB SER A 131 5.194 -10.567 12.730 1.00 0.00 C ATOM 855 OG SER A 131 5.808 -11.799 13.066 1.00 0.00 O ATOM 0 H SER A 131 6.947 -9.342 11.486 1.00 0.00 H new ATOM 0 HA SER A 131 5.069 -11.349 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.747 -9.745 13.186 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.184 -10.537 13.139 1.00 0.00 H new ATOM 0 HG SER A 131 5.831 -11.898 14.041 1.00 0.00 H new ATOM 861 N PRO A 132 2.742 -10.209 10.837 1.00 0.00 N ATOM 862 CA PRO A 132 1.472 -9.561 10.498 1.00 0.00 C ATOM 863 C PRO A 132 1.027 -8.563 11.561 1.00 0.00 C ATOM 864 O PRO A 132 0.539 -7.478 11.244 1.00 0.00 O ATOM 865 CB PRO A 132 0.488 -10.731 10.417 1.00 0.00 C ATOM 866 CG PRO A 132 1.077 -11.783 11.292 1.00 0.00 C ATOM 867 CD PRO A 132 2.569 -11.632 11.173 1.00 0.00 C ATOM 0 HA PRO A 132 1.544 -8.981 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.504 -10.439 10.762 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.377 -11.085 9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.753 -11.658 12.325 1.00 0.00 H new ATOM 0 HG3 PRO A 132 0.759 -12.777 10.976 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.074 -11.889 12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 132 2.978 -12.280 10.398 1.00 0.00 H new ATOM 875 N THR A 133 1.199 -8.937 12.826 1.00 0.00 N ATOM 876 CA THR A 133 0.814 -8.075 13.936 1.00 0.00 C ATOM 877 C THR A 133 1.534 -6.733 13.865 1.00 0.00 C ATOM 878 O THR A 133 0.960 -5.692 14.184 1.00 0.00 O ATOM 879 CB THR A 133 1.120 -8.737 15.293 1.00 0.00 C ATOM 880 OG1 THR A 133 2.283 -9.565 15.183 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.061 -9.572 15.766 1.00 0.00 C ATOM 0 H THR A 133 1.602 -9.831 13.106 1.00 0.00 H new ATOM 0 HA THR A 133 -0.261 -7.913 13.853 1.00 0.00 H new ATOM 0 HB THR A 133 1.304 -7.949 16.024 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.472 -9.981 16.050 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.178 -10.030 16.726 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.937 -8.933 15.877 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.271 -10.352 15.034 1.00 0.00 H new ATOM 889 N MET A 134 2.795 -6.764 13.444 1.00 0.00 N ATOM 890 CA MET A 134 3.592 -5.549 13.330 1.00 0.00 C ATOM 891 C MET A 134 2.933 -4.554 12.380 1.00 0.00 C ATOM 892 O MET A 134 2.815 -3.368 12.692 1.00 0.00 O ATOM 893 CB MET A 134 5.002 -5.883 12.839 1.00 0.00 C ATOM 894 CG MET A 134 5.696 -6.953 13.667 1.00 0.00 C ATOM 895 SD MET A 134 6.638 -6.265 15.042 1.00 0.00 S ATOM 896 CE MET A 134 5.319 -5.607 16.060 1.00 0.00 C ATOM 0 H MET A 134 3.286 -7.617 13.177 1.00 0.00 H new ATOM 0 HA MET A 134 3.657 -5.093 14.318 1.00 0.00 H new ATOM 0 HB2 MET A 134 4.948 -6.216 11.802 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.607 -4.976 12.852 1.00 0.00 H new ATOM 0 HG2 MET A 134 4.951 -7.648 14.054 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.364 -7.527 13.025 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.603 -5.672 17.110 1.00 0.00 H new ATOM 0 HE2 MET A 134 5.141 -4.564 15.796 1.00 0.00 H new ATOM 0 HE3 MET A 134 4.409 -6.183 15.894 1.00 0.00 H new ATOM 906 N CYS A 135 2.506 -5.043 11.221 1.00 0.00 N ATOM 907 CA CYS A 135 1.860 -4.196 10.225 1.00 0.00 C ATOM 908 C CYS A 135 0.560 -3.612 10.769 1.00 0.00 C ATOM 909 O CYS A 135 0.227 -2.456 10.504 1.00 0.00 O ATOM 910 CB CYS A 135 1.581 -4.994 8.950 1.00 0.00 C ATOM 911 SG CYS A 135 3.066 -5.615 8.128 1.00 0.00 S ATOM 0 H CYS A 135 2.596 -6.022 10.948 1.00 0.00 H new ATOM 0 HA CYS A 135 2.536 -3.374 9.989 1.00 0.00 H new ATOM 0 HB2 CYS A 135 0.935 -5.837 9.196 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.030 -4.363 8.253 1.00 0.00 H new ATOM 0 HG CYS A 135 2.727 -6.278 7.062 1.00 0.00 H new ATOM 917 N THR A 136 -0.172 -4.419 11.530 1.00 0.00 N ATOM 918 CA THR A 136 -1.437 -3.983 12.109 1.00 0.00 C ATOM 919 C THR A 136 -1.230 -2.818 13.069 1.00 0.00 C ATOM 920 O THR A 136 -1.782 -1.735 12.874 1.00 0.00 O ATOM 921 CB THR A 136 -2.137 -5.133 12.858 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.465 -6.185 11.944 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.401 -4.639 13.547 1.00 0.00 C ATOM 0 H THR A 136 0.089 -5.378 11.760 1.00 0.00 H new ATOM 0 HA THR A 136 -2.069 -3.660 11.282 1.00 0.00 H new ATOM 0 HB THR A 136 -1.453 -5.513 13.617 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.839 -5.801 11.124 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.878 -5.468 14.069 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.144 -3.859 14.263 1.00 0.00 H new ATOM 0 HG23 THR A 136 -4.087 -4.236 12.802 1.00 0.00 H new ATOM 931 N ASP A 137 -0.430 -3.046 14.105 1.00 0.00 N ATOM 932 CA ASP A 137 -0.148 -2.013 15.095 1.00 0.00 C ATOM 933 C ASP A 137 0.548 -0.818 14.451 1.00 0.00 C ATOM 934 O ASP A 137 0.181 0.332 14.691 1.00 0.00 O ATOM 935 CB ASP A 137 0.719 -2.578 16.220 1.00 0.00 C ATOM 936 CG ASP A 137 0.527 -1.837 17.528 1.00 0.00 C ATOM 937 OD1 ASP A 137 -0.594 -1.885 18.079 1.00 0.00 O ATOM 938 OD2 ASP A 137 1.496 -1.209 18.002 1.00 0.00 O ATOM 0 H ASP A 137 0.035 -3.937 14.281 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.097 -1.676 15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.480 -3.632 16.364 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.768 -2.526 15.927 1.00 0.00 H new ATOM 943 N LYS A 138 1.556 -1.098 13.631 1.00 0.00 N ATOM 944 CA LYS A 138 2.305 -0.048 12.951 1.00 0.00 C ATOM 945 C LYS A 138 1.375 0.837 12.128 1.00 0.00 C ATOM 946 O LYS A 138 1.452 2.064 12.193 1.00 0.00 O ATOM 947 CB LYS A 138 3.377 -0.661 12.047 1.00 0.00 C ATOM 948 CG LYS A 138 4.024 0.340 11.106 1.00 0.00 C ATOM 949 CD LYS A 138 4.830 1.380 11.867 1.00 0.00 C ATOM 950 CE LYS A 138 5.917 1.990 10.995 1.00 0.00 C ATOM 951 NZ LYS A 138 6.412 3.281 11.548 1.00 0.00 N ATOM 0 H LYS A 138 1.873 -2.045 13.421 1.00 0.00 H new ATOM 0 HA LYS A 138 2.788 0.569 13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.149 -1.114 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 138 2.930 -1.463 11.459 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.674 -0.185 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.254 0.836 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.165 2.166 12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.282 0.920 12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.748 1.290 10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.528 2.151 9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.151 3.665 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.625 3.958 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.806 3.124 12.497 1.00 0.00 H new ATOM 965 N TRP A 139 0.498 0.208 11.355 1.00 0.00 N ATOM 966 CA TRP A 139 -0.448 0.939 10.520 1.00 0.00 C ATOM 967 C TRP A 139 -1.249 1.936 11.349 1.00 0.00 C ATOM 968 O TRP A 139 -1.362 3.108 10.990 1.00 0.00 O ATOM 969 CB TRP A 139 -1.394 -0.033 9.813 1.00 0.00 C ATOM 970 CG TRP A 139 -2.477 0.652 9.036 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.806 0.698 9.347 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.323 1.386 7.816 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.488 1.417 8.395 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.600 1.851 7.446 1.00 0.00 C ATOM 975 CE3 TRP A 139 -1.231 1.699 7.003 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.812 2.609 6.297 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.442 2.451 5.863 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.725 2.900 5.519 1.00 0.00 C ATOM 0 H TRP A 139 0.422 -0.807 11.289 1.00 0.00 H new ATOM 0 HA TRP A 139 0.119 1.492 9.771 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.816 -0.665 9.138 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.849 -0.690 10.554 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.255 0.237 10.214 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.492 1.598 8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.239 1.359 7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.800 2.955 6.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.605 2.697 5.227 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.858 3.487 4.622 1.00 0.00 H new ATOM 989 N ARG A 140 -1.804 1.463 12.461 1.00 0.00 N ATOM 990 CA ARG A 140 -2.596 2.314 13.341 1.00 0.00 C ATOM 991 C ARG A 140 -1.833 3.585 13.700 1.00 0.00 C ATOM 992 O ARG A 140 -2.368 4.689 13.609 1.00 0.00 O ATOM 993 CB ARG A 140 -2.973 1.555 14.615 1.00 0.00 C ATOM 994 CG ARG A 140 -4.288 0.801 14.508 1.00 0.00 C ATOM 995 CD ARG A 140 -4.116 -0.517 13.771 1.00 0.00 C ATOM 996 NE ARG A 140 -5.386 -1.217 13.597 1.00 0.00 N ATOM 997 CZ ARG A 140 -5.947 -1.966 14.540 1.00 0.00 C ATOM 998 NH1 ARG A 140 -5.355 -2.110 15.717 1.00 0.00 N ATOM 999 NH2 ARG A 140 -7.105 -2.571 14.306 1.00 0.00 N ATOM 0 H ARG A 140 -1.720 0.496 12.773 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.506 2.595 12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.178 0.849 14.856 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.035 2.261 15.443 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -4.682 0.612 15.506 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.021 1.417 13.987 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -3.668 -0.331 12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -3.424 -1.153 14.323 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.868 -1.126 12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -4.466 -1.645 15.901 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -5.788 -2.686 16.439 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.564 -2.461 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -7.535 -3.146 15.030 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.578 3.421 14.107 1.00 0.00 N ATOM 1014 CA ASN A 141 0.259 4.555 14.481 1.00 0.00 C ATOM 1015 C ASN A 141 0.362 5.556 13.334 1.00 0.00 C ATOM 1016 O ASN A 141 0.268 6.767 13.542 1.00 0.00 O ATOM 1017 CB ASN A 141 1.655 4.075 14.881 1.00 0.00 C ATOM 1018 CG ASN A 141 2.346 5.033 15.832 1.00 0.00 C ATOM 1019 OD1 ASN A 141 1.779 6.054 16.223 1.00 0.00 O ATOM 1020 ND2 ASN A 141 3.577 4.708 16.210 1.00 0.00 N ATOM 0 H ASN A 141 -0.119 2.514 14.186 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.205 5.052 15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.578 3.094 15.350 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.265 3.953 13.986 1.00 0.00 H new ATOM 0 HD21 ASN A 141 4.091 5.314 16.849 1.00 0.00 H new ATOM 0 HD22 ASN A 141 4.008 3.852 15.861 1.00 0.00 H new ATOM 1027 N LEU A 142 0.554 5.043 12.124 1.00 0.00 N ATOM 1028 CA LEU A 142 0.669 5.892 10.943 1.00 0.00 C ATOM 1029 C LEU A 142 -0.557 6.787 10.794 1.00 0.00 C ATOM 1030 O LEU A 142 -0.440 7.971 10.476 1.00 0.00 O ATOM 1031 CB LEU A 142 0.844 5.033 9.689 1.00 0.00 C ATOM 1032 CG LEU A 142 2.139 4.224 9.604 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.012 3.122 8.564 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.315 5.134 9.280 1.00 0.00 C ATOM 0 H LEU A 142 0.633 4.044 11.935 1.00 0.00 H new ATOM 0 HA LEU A 142 1.546 6.527 11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.003 4.342 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.788 5.684 8.816 1.00 0.00 H new ATOM 0 HG LEU A 142 2.321 3.760 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.943 2.557 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.195 2.454 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.807 3.564 7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.228 4.542 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 142 3.141 5.626 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.419 5.887 10.061 1.00 0.00 H new ATOM 1046 N LEU A 143 -1.733 6.214 11.027 1.00 0.00 N ATOM 1047 CA LEU A 143 -2.982 6.960 10.921 1.00 0.00 C ATOM 1048 C LEU A 143 -3.009 8.120 11.911 1.00 0.00 C ATOM 1049 O LEU A 143 -3.394 9.237 11.565 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.174 6.035 11.169 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.202 4.742 10.353 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.317 3.828 10.838 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.368 5.050 8.872 1.00 0.00 C ATOM 0 H LEU A 143 -1.848 5.235 11.291 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.049 7.366 9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.191 5.774 12.227 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.089 6.591 10.963 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.252 4.226 10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.321 2.913 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.154 3.580 11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.276 4.335 10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.386 4.118 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.303 5.588 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.534 5.665 8.533 1.00 0.00 H new ATOM 1065 N LYS A 144 -2.595 7.848 13.144 1.00 0.00 N ATOM 1066 CA LYS A 144 -2.568 8.869 14.185 1.00 0.00 C ATOM 1067 C LYS A 144 -1.791 10.097 13.722 1.00 0.00 C ATOM 1068 O LYS A 144 -2.256 11.227 13.869 1.00 0.00 O ATOM 1069 CB LYS A 144 -1.941 8.307 15.463 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.946 7.662 16.401 1.00 0.00 C ATOM 1071 CD LYS A 144 -3.512 8.669 17.389 1.00 0.00 C ATOM 1072 CE LYS A 144 -4.741 9.369 16.829 1.00 0.00 C ATOM 1073 NZ LYS A 144 -5.552 10.008 17.901 1.00 0.00 N ATOM 0 H LYS A 144 -2.273 6.929 13.447 1.00 0.00 H new ATOM 0 HA LYS A 144 -3.595 9.168 14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -1.184 7.571 15.193 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.429 9.112 15.991 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.758 7.224 15.821 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.467 6.847 16.944 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -3.772 8.162 18.318 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.750 9.409 17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -4.431 10.126 16.108 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.355 8.648 16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.380 10.474 17.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.869 9.283 18.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -4.974 10.714 18.399 1.00 0.00 H new ATOM 1087 N GLU A 145 -0.608 9.867 13.162 1.00 0.00 N ATOM 1088 CA GLU A 145 0.232 10.957 12.678 1.00 0.00 C ATOM 1089 C GLU A 145 -0.354 11.572 11.410 1.00 0.00 C ATOM 1090 O GLU A 145 -0.415 12.794 11.271 1.00 0.00 O ATOM 1091 CB GLU A 145 1.651 10.454 12.406 1.00 0.00 C ATOM 1092 CG GLU A 145 2.298 9.781 13.604 1.00 0.00 C ATOM 1093 CD GLU A 145 2.337 10.677 14.827 1.00 0.00 C ATOM 1094 OE1 GLU A 145 2.394 11.913 14.654 1.00 0.00 O ATOM 1095 OE2 GLU A 145 2.309 10.144 15.955 1.00 0.00 O ATOM 0 H GLU A 145 -0.210 8.937 13.032 1.00 0.00 H new ATOM 0 HA GLU A 145 0.269 11.725 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.625 9.750 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 145 2.271 11.294 12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 145 1.750 8.870 13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 145 3.314 9.483 13.344 1.00 0.00 H new