USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -87:sc= -0.198 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.181 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.68 K(o=-1.7,f=-15!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -124:sc= -0.491 (180deg=-1.31) USER MOD Single : A 53 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0.31 (180deg=0.0661) USER MOD Single : A 57 ASN : amide:sc= -0.497 K(o=-0.5,f=-1.7!) USER MOD Single : A 60 MET CE :methyl 137:sc= -2.52 (180deg=-7.01!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= 0.834 (180deg=-0.591!) USER MOD Single : A 66 SER OG : rot -76:sc= 1.06 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 110:sc= 0.0191 USER MOD Single : A 73 TYR OH : rot 66:sc= 0.171 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -33:sc= 0.534 USER MOD Single : A 88 LYS NZ :NH3+ -119:sc= 0.266 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= -0.132 (180deg=-0.543) USER MOD Single : A 92 ASN : amide:sc= -0.641 K(o=-0.64,f=-0.0043) USER MOD Single : A 94 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-1.5) USER MOD Single : A 97 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.427 -10.570 -0.831 1.00 0.00 N ATOM 106 CA LEU A 11 25.799 -11.502 -1.889 1.00 0.00 C ATOM 107 C LEU A 11 24.964 -12.777 -1.812 1.00 0.00 C ATOM 108 O LEU A 11 24.318 -13.167 -2.784 1.00 0.00 O ATOM 109 CB LEU A 11 27.286 -11.847 -1.793 1.00 0.00 C ATOM 110 CG LEU A 11 27.765 -13.007 -2.666 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.662 -12.645 -4.139 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.193 -13.391 -2.308 1.00 0.00 C ATOM 0 HA LEU A 11 25.605 -11.020 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.862 -10.959 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.517 -12.081 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 11 27.121 -13.866 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.007 -13.483 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.624 -12.421 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.280 -11.771 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.517 -14.218 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.850 -12.536 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.237 -13.695 -1.262 1.00 0.00 H new ATOM 124 N TRP A 12 24.981 -13.418 -0.649 1.00 0.00 N ATOM 125 CA TRP A 12 24.224 -14.648 -0.444 1.00 0.00 C ATOM 126 C TRP A 12 22.856 -14.562 -1.112 1.00 0.00 C ATOM 127 O TRP A 12 22.368 -15.542 -1.675 1.00 0.00 O ATOM 128 CB TRP A 12 24.058 -14.926 1.051 1.00 0.00 C ATOM 129 CG TRP A 12 22.950 -14.139 1.683 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.070 -12.981 2.396 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.553 -14.454 1.659 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.833 -12.557 2.817 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.886 -13.443 2.377 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.802 -15.491 1.099 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.504 -13.442 2.550 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.431 -15.488 1.271 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.793 -14.469 1.991 1.00 0.00 C ATOM 0 H TRP A 12 25.510 -13.107 0.166 1.00 0.00 H new ATOM 0 HA TRP A 12 24.780 -15.468 -0.899 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.867 -15.989 1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.993 -14.697 1.562 1.00 0.00 H new ATOM 0 HD1 TRP A 12 24.001 -12.473 2.599 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.650 -11.718 3.368 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.284 -16.280 0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.011 -12.658 3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.841 -16.285 0.843 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.720 -14.495 2.107 1.00 0.00 H new ATOM 148 N GLU A 13 22.242 -13.385 -1.045 1.00 0.00 N ATOM 149 CA GLU A 13 20.929 -13.174 -1.644 1.00 0.00 C ATOM 150 C GLU A 13 21.026 -13.129 -3.166 1.00 0.00 C ATOM 151 O GLU A 13 20.184 -13.687 -3.870 1.00 0.00 O ATOM 152 CB GLU A 13 20.309 -11.875 -1.123 1.00 0.00 C ATOM 153 CG GLU A 13 19.248 -12.091 -0.058 1.00 0.00 C ATOM 154 CD GLU A 13 17.933 -11.417 -0.399 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.132 -12.022 -1.141 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.706 -10.285 0.076 1.00 0.00 O ATOM 0 H GLU A 13 22.632 -12.564 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 13 20.291 -14.012 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.098 -11.244 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.867 -11.332 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.081 -13.160 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.612 -11.708 0.895 1.00 0.00 H new ATOM 163 N PHE A 14 22.060 -12.461 -3.668 1.00 0.00 N ATOM 164 CA PHE A 14 22.267 -12.341 -5.106 1.00 0.00 C ATOM 165 C PHE A 14 22.518 -13.709 -5.735 1.00 0.00 C ATOM 166 O PHE A 14 21.877 -14.080 -6.718 1.00 0.00 O ATOM 167 CB PHE A 14 23.445 -11.409 -5.397 1.00 0.00 C ATOM 168 CG PHE A 14 24.136 -11.704 -6.698 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.176 -12.618 -6.754 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.744 -11.068 -7.865 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.814 -12.890 -7.950 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.377 -11.337 -9.064 1.00 0.00 C ATOM 173 CZ PHE A 14 25.413 -12.250 -9.106 1.00 0.00 C ATOM 0 H PHE A 14 22.767 -11.995 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 14 21.363 -11.919 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.089 -10.379 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.168 -11.486 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.492 -13.124 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 14 22.934 -10.354 -7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.625 -13.602 -7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.062 -10.834 -9.967 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.909 -12.463 -10.042 1.00 0.00 H new ATOM 183 N VAL A 15 23.458 -14.454 -5.161 1.00 0.00 N ATOM 184 CA VAL A 15 23.794 -15.780 -5.664 1.00 0.00 C ATOM 185 C VAL A 15 22.606 -16.729 -5.550 1.00 0.00 C ATOM 186 O VAL A 15 22.453 -17.647 -6.356 1.00 0.00 O ATOM 187 CB VAL A 15 24.992 -16.381 -4.904 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.707 -16.430 -3.411 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.320 -17.767 -5.438 1.00 0.00 C ATOM 0 H VAL A 15 24.000 -14.161 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 15 24.061 -15.662 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 15 25.859 -15.740 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.564 -16.857 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.525 -15.421 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.827 -17.047 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.169 -18.177 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.456 -18.420 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.570 -17.699 -6.497 1.00 0.00 H new ATOM 199 N ARG A 16 21.768 -16.501 -4.545 1.00 0.00 N ATOM 200 CA ARG A 16 20.593 -17.336 -4.325 1.00 0.00 C ATOM 201 C ARG A 16 19.495 -17.006 -5.332 1.00 0.00 C ATOM 202 O ARG A 16 18.908 -17.900 -5.941 1.00 0.00 O ATOM 203 CB ARG A 16 20.067 -17.148 -2.901 1.00 0.00 C ATOM 204 CG ARG A 16 18.814 -17.955 -2.603 1.00 0.00 C ATOM 205 CD ARG A 16 17.752 -17.105 -1.924 1.00 0.00 C ATOM 206 NE ARG A 16 17.405 -15.928 -2.715 1.00 0.00 N ATOM 207 CZ ARG A 16 16.278 -15.242 -2.557 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.395 -15.614 -1.641 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.033 -14.181 -3.316 1.00 0.00 N ATOM 0 H ARG A 16 21.880 -15.745 -3.870 1.00 0.00 H new ATOM 0 HA ARG A 16 20.887 -18.377 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.847 -17.430 -2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.856 -16.091 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.415 -18.365 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.068 -18.801 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.858 -17.706 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.111 -16.790 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 16 18.064 -15.615 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.580 -16.428 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.531 -15.086 -1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.710 -13.891 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.167 -13.655 -3.194 1.00 0.00 H new ATOM 223 N ASP A 17 19.223 -15.716 -5.501 1.00 0.00 N ATOM 224 CA ASP A 17 18.197 -15.268 -6.434 1.00 0.00 C ATOM 225 C ASP A 17 18.427 -15.859 -7.821 1.00 0.00 C ATOM 226 O ASP A 17 17.482 -16.074 -8.581 1.00 0.00 O ATOM 227 CB ASP A 17 18.182 -13.740 -6.513 1.00 0.00 C ATOM 228 CG ASP A 17 16.790 -13.165 -6.334 1.00 0.00 C ATOM 229 OD1 ASP A 17 15.967 -13.301 -7.263 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.525 -12.579 -5.264 1.00 0.00 O ATOM 0 H ASP A 17 19.699 -14.963 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 17 17.231 -15.615 -6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.842 -13.333 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.581 -13.425 -7.477 1.00 0.00 H new ATOM 235 N LEU A 18 19.689 -16.119 -8.146 1.00 0.00 N ATOM 236 CA LEU A 18 20.044 -16.685 -9.442 1.00 0.00 C ATOM 237 C LEU A 18 19.497 -18.101 -9.587 1.00 0.00 C ATOM 238 O LEU A 18 18.943 -18.461 -10.627 1.00 0.00 O ATOM 239 CB LEU A 18 21.564 -16.693 -9.618 1.00 0.00 C ATOM 240 CG LEU A 18 22.190 -15.386 -10.105 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.629 -15.272 -9.625 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.123 -15.295 -11.622 1.00 0.00 C ATOM 0 H LEU A 18 20.483 -15.947 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 18 19.597 -16.062 -10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.019 -16.957 -8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.824 -17.482 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 18 21.622 -14.555 -9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.058 -14.336 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.652 -15.290 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.210 -16.108 -10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.573 -14.358 -11.951 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.666 -16.132 -12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.082 -15.329 -11.943 1.00 0.00 H new ATOM 254 N LEU A 19 19.652 -18.900 -8.537 1.00 0.00 N ATOM 255 CA LEU A 19 19.171 -20.277 -8.546 1.00 0.00 C ATOM 256 C LEU A 19 17.666 -20.327 -8.791 1.00 0.00 C ATOM 257 O LEU A 19 17.163 -21.240 -9.445 1.00 0.00 O ATOM 258 CB LEU A 19 19.506 -20.964 -7.221 1.00 0.00 C ATOM 259 CG LEU A 19 20.962 -21.394 -7.037 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.364 -21.309 -5.573 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.172 -22.805 -7.568 1.00 0.00 C ATOM 0 H LEU A 19 20.107 -18.618 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 19 19.671 -20.805 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.242 -20.288 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.872 -21.845 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 19 21.596 -20.714 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.403 -21.619 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.252 -20.282 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.725 -21.965 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.214 -23.095 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.527 -23.497 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.926 -22.835 -8.629 1.00 0.00 H new ATOM 273 N LEU A 20 16.953 -19.338 -8.263 1.00 0.00 N ATOM 274 CA LEU A 20 15.505 -19.267 -8.426 1.00 0.00 C ATOM 275 C LEU A 20 15.138 -18.548 -9.720 1.00 0.00 C ATOM 276 O LEU A 20 13.989 -18.591 -10.161 1.00 0.00 O ATOM 277 CB LEU A 20 14.873 -18.549 -7.232 1.00 0.00 C ATOM 278 CG LEU A 20 15.466 -18.875 -5.861 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.674 -18.187 -4.760 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.496 -20.380 -5.638 1.00 0.00 C ATOM 0 H LEU A 20 17.354 -18.574 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 20 15.118 -20.285 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.955 -17.474 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.810 -18.788 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 20 16.490 -18.502 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.110 -18.430 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.704 -17.108 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.639 -18.529 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.921 -20.594 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.482 -20.776 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.107 -20.850 -6.409 1.00 0.00 H new ATOM 292 N SER A 21 16.121 -17.889 -10.324 1.00 0.00 N ATOM 293 CA SER A 21 15.900 -17.159 -11.568 1.00 0.00 C ATOM 294 C SER A 21 16.727 -17.756 -12.702 1.00 0.00 C ATOM 295 O SER A 21 17.797 -17.258 -13.053 1.00 0.00 O ATOM 296 CB SER A 21 16.254 -15.682 -11.386 1.00 0.00 C ATOM 297 OG SER A 21 15.167 -14.961 -10.831 1.00 0.00 O ATOM 0 H SER A 21 17.078 -17.845 -9.973 1.00 0.00 H new ATOM 0 HA SER A 21 14.845 -17.243 -11.828 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.124 -15.591 -10.736 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.528 -15.249 -12.348 1.00 0.00 H new ATOM 0 HG SER A 21 15.419 -14.020 -10.723 1.00 0.00 H new ATOM 303 N PRO A 22 16.221 -18.850 -13.290 1.00 0.00 N ATOM 304 CA PRO A 22 16.895 -19.540 -14.393 1.00 0.00 C ATOM 305 C PRO A 22 16.883 -18.723 -15.681 1.00 0.00 C ATOM 306 O PRO A 22 17.499 -19.106 -16.675 1.00 0.00 O ATOM 307 CB PRO A 22 16.076 -20.821 -14.565 1.00 0.00 C ATOM 308 CG PRO A 22 14.724 -20.480 -14.039 1.00 0.00 C ATOM 309 CD PRO A 22 14.951 -19.498 -12.922 1.00 0.00 C ATOM 0 HA PRO A 22 17.949 -19.718 -14.179 1.00 0.00 H new ATOM 0 HB2 PRO A 22 16.029 -21.123 -15.611 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.518 -21.651 -14.013 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.099 -20.046 -14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.210 -21.370 -13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.138 -18.776 -12.850 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.020 -19.998 -11.956 1.00 0.00 H new ATOM 317 N GLU A 23 16.178 -17.597 -15.655 1.00 0.00 N ATOM 318 CA GLU A 23 16.086 -16.727 -16.822 1.00 0.00 C ATOM 319 C GLU A 23 17.271 -15.767 -16.880 1.00 0.00 C ATOM 320 O GLU A 23 17.645 -15.291 -17.951 1.00 0.00 O ATOM 321 CB GLU A 23 14.776 -15.936 -16.794 1.00 0.00 C ATOM 322 CG GLU A 23 13.558 -16.763 -17.171 1.00 0.00 C ATOM 323 CD GLU A 23 12.879 -17.384 -15.966 1.00 0.00 C ATOM 324 OE1 GLU A 23 12.670 -16.666 -14.966 1.00 0.00 O ATOM 325 OE2 GLU A 23 12.557 -18.589 -16.023 1.00 0.00 O ATOM 0 H GLU A 23 15.662 -17.266 -14.840 1.00 0.00 H new ATOM 0 HA GLU A 23 16.105 -17.354 -17.713 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.631 -15.525 -15.795 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.857 -15.091 -17.478 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.844 -16.132 -17.700 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.858 -17.552 -17.861 1.00 0.00 H new ATOM 332 N GLU A 24 17.856 -15.488 -15.719 1.00 0.00 N ATOM 333 CA GLU A 24 18.998 -14.585 -15.637 1.00 0.00 C ATOM 334 C GLU A 24 20.300 -15.365 -15.487 1.00 0.00 C ATOM 335 O GLU A 24 21.321 -15.009 -16.074 1.00 0.00 O ATOM 336 CB GLU A 24 18.830 -13.620 -14.461 1.00 0.00 C ATOM 337 CG GLU A 24 18.300 -12.254 -14.865 1.00 0.00 C ATOM 338 CD GLU A 24 19.331 -11.156 -14.697 1.00 0.00 C ATOM 339 OE1 GLU A 24 19.887 -11.028 -13.586 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.583 -10.424 -15.677 1.00 0.00 O ATOM 0 H GLU A 24 17.558 -15.874 -14.823 1.00 0.00 H new ATOM 0 HA GLU A 24 19.043 -14.013 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.151 -14.063 -13.733 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.792 -13.495 -13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.976 -12.287 -15.905 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.421 -12.017 -14.265 1.00 0.00 H new ATOM 347 N ASN A 25 20.256 -16.432 -14.696 1.00 0.00 N ATOM 348 CA ASN A 25 21.432 -17.263 -14.467 1.00 0.00 C ATOM 349 C ASN A 25 21.693 -18.178 -15.660 1.00 0.00 C ATOM 350 O ASN A 25 20.785 -18.853 -16.147 1.00 0.00 O ATOM 351 CB ASN A 25 21.252 -18.100 -13.199 1.00 0.00 C ATOM 352 CG ASN A 25 22.271 -19.219 -13.094 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.335 -19.163 -13.710 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.947 -20.242 -12.313 1.00 0.00 N ATOM 0 H ASN A 25 19.418 -16.741 -14.203 1.00 0.00 H new ATOM 0 HA ASN A 25 22.292 -16.605 -14.341 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.335 -17.453 -12.325 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.248 -18.524 -13.187 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.592 -21.025 -12.204 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.053 -20.245 -11.821 1.00 0.00 H new ATOM 361 N CYS A 26 22.937 -18.194 -16.125 1.00 0.00 N ATOM 362 CA CYS A 26 23.317 -19.025 -17.262 1.00 0.00 C ATOM 363 C CYS A 26 24.329 -20.088 -16.844 1.00 0.00 C ATOM 364 O CYS A 26 25.537 -19.885 -16.950 1.00 0.00 O ATOM 365 CB CYS A 26 23.901 -18.160 -18.380 1.00 0.00 C ATOM 366 SG CYS A 26 23.176 -18.470 -20.007 1.00 0.00 S ATOM 0 H CYS A 26 23.699 -17.641 -15.733 1.00 0.00 H new ATOM 0 HA CYS A 26 22.422 -19.526 -17.630 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.759 -17.110 -18.125 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.976 -18.332 -18.434 1.00 0.00 H new ATOM 0 HG CYS A 26 23.732 -17.690 -20.886 1.00 0.00 H new ATOM 372 N GLY A 27 23.825 -21.222 -16.366 1.00 0.00 N ATOM 373 CA GLY A 27 24.698 -22.299 -15.937 1.00 0.00 C ATOM 374 C GLY A 27 25.809 -21.816 -15.026 1.00 0.00 C ATOM 375 O GLY A 27 26.939 -22.300 -15.105 1.00 0.00 O ATOM 0 H GLY A 27 22.828 -21.414 -16.268 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.109 -23.055 -15.418 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.134 -22.780 -16.813 1.00 0.00 H new ATOM 379 N ILE A 28 25.489 -20.861 -14.160 1.00 0.00 N ATOM 380 CA ILE A 28 26.469 -20.313 -13.231 1.00 0.00 C ATOM 381 C ILE A 28 26.455 -21.070 -11.908 1.00 0.00 C ATOM 382 O ILE A 28 27.445 -21.080 -11.175 1.00 0.00 O ATOM 383 CB ILE A 28 26.213 -18.819 -12.958 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.974 -18.071 -14.271 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.383 -18.210 -12.200 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.517 -16.642 -14.078 1.00 0.00 C ATOM 0 H ILE A 28 24.558 -20.451 -14.082 1.00 0.00 H new ATOM 0 HA ILE A 28 27.446 -20.425 -13.701 1.00 0.00 H new ATOM 0 HB ILE A 28 25.319 -18.726 -12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.895 -18.074 -14.854 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.226 -18.608 -14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.187 -17.154 -12.015 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.509 -18.728 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.293 -18.311 -12.792 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.367 -16.173 -15.051 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.579 -16.632 -13.522 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.275 -16.090 -13.522 1.00 0.00 H new ATOM 398 N LEU A 29 25.328 -21.705 -11.608 1.00 0.00 N ATOM 399 CA LEU A 29 25.184 -22.468 -10.373 1.00 0.00 C ATOM 400 C LEU A 29 24.378 -23.742 -10.610 1.00 0.00 C ATOM 401 O LEU A 29 23.748 -23.902 -11.654 1.00 0.00 O ATOM 402 CB LEU A 29 24.507 -21.615 -9.299 1.00 0.00 C ATOM 403 CG LEU A 29 25.192 -20.289 -8.964 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.178 -19.280 -8.448 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.301 -20.504 -7.944 1.00 0.00 C ATOM 0 H LEU A 29 24.500 -21.707 -12.203 1.00 0.00 H new ATOM 0 HA LEU A 29 26.180 -22.749 -10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.487 -21.403 -9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.436 -22.205 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 29 25.637 -19.891 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.683 -18.343 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.420 -19.103 -9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.703 -19.670 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.777 -19.550 -7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.879 -20.925 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.042 -21.192 -8.352 1.00 0.00 H new ATOM 417 N GLU A 30 24.403 -24.642 -9.632 1.00 0.00 N ATOM 418 CA GLU A 30 23.673 -25.900 -9.735 1.00 0.00 C ATOM 419 C GLU A 30 23.019 -26.260 -8.404 1.00 0.00 C ATOM 420 O GLU A 30 23.527 -25.915 -7.337 1.00 0.00 O ATOM 421 CB GLU A 30 24.612 -27.026 -10.174 1.00 0.00 C ATOM 422 CG GLU A 30 24.542 -27.332 -11.661 1.00 0.00 C ATOM 423 CD GLU A 30 24.606 -28.818 -11.954 1.00 0.00 C ATOM 424 OE1 GLU A 30 23.612 -29.520 -11.674 1.00 0.00 O ATOM 425 OE2 GLU A 30 25.649 -29.278 -12.464 1.00 0.00 O ATOM 0 H GLU A 30 24.920 -24.524 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 30 22.891 -25.776 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.636 -26.756 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.369 -27.929 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.617 -26.925 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.364 -26.829 -12.171 1.00 0.00 H new ATOM 432 N TRP A 31 21.889 -26.954 -8.476 1.00 0.00 N ATOM 433 CA TRP A 31 21.164 -27.359 -7.277 1.00 0.00 C ATOM 434 C TRP A 31 21.527 -28.785 -6.877 1.00 0.00 C ATOM 435 O TRP A 31 20.990 -29.748 -7.423 1.00 0.00 O ATOM 436 CB TRP A 31 19.655 -27.250 -7.507 1.00 0.00 C ATOM 437 CG TRP A 31 19.082 -25.935 -7.074 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.371 -25.058 -7.843 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.174 -25.347 -5.772 1.00 0.00 C ATOM 440 NE1 TRP A 31 18.015 -23.961 -7.097 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.495 -24.114 -5.823 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.762 -25.743 -4.568 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.390 -23.276 -4.716 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.657 -24.910 -3.470 1.00 0.00 C ATOM 445 CH2 TRP A 31 18.975 -23.689 -3.550 1.00 0.00 C ATOM 0 H TRP A 31 21.455 -27.248 -9.351 1.00 0.00 H new ATOM 0 HA TRP A 31 21.451 -26.689 -6.466 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.444 -27.399 -8.566 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.153 -28.053 -6.966 1.00 0.00 H new ATOM 0 HD1 TRP A 31 18.125 -25.205 -8.884 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.480 -23.162 -7.437 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.289 -26.683 -4.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.866 -22.334 -4.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.108 -25.206 -2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.910 -23.061 -2.674 1.00 0.00 H new ATOM 456 N GLU A 32 22.443 -28.912 -5.922 1.00 0.00 N ATOM 457 CA GLU A 32 22.878 -30.222 -5.451 1.00 0.00 C ATOM 458 C GLU A 32 21.867 -30.810 -4.470 1.00 0.00 C ATOM 459 O GLU A 32 21.775 -32.028 -4.313 1.00 0.00 O ATOM 460 CB GLU A 32 24.251 -30.118 -4.784 1.00 0.00 C ATOM 461 CG GLU A 32 25.343 -29.618 -5.715 1.00 0.00 C ATOM 462 CD GLU A 32 26.238 -30.734 -6.218 1.00 0.00 C ATOM 463 OE1 GLU A 32 27.202 -31.088 -5.508 1.00 0.00 O ATOM 464 OE2 GLU A 32 25.972 -31.254 -7.322 1.00 0.00 O ATOM 0 H GLU A 32 22.898 -28.125 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 32 22.950 -30.885 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.180 -29.447 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.534 -31.098 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.886 -29.112 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.950 -28.878 -5.193 1.00 0.00 H new ATOM 471 N ASP A 33 21.112 -29.937 -3.812 1.00 0.00 N ATOM 472 CA ASP A 33 20.108 -30.368 -2.847 1.00 0.00 C ATOM 473 C ASP A 33 19.190 -29.212 -2.464 1.00 0.00 C ATOM 474 O ASP A 33 19.563 -28.345 -1.674 1.00 0.00 O ATOM 475 CB ASP A 33 20.782 -30.936 -1.597 1.00 0.00 C ATOM 476 CG ASP A 33 20.634 -32.441 -1.492 1.00 0.00 C ATOM 477 OD1 ASP A 33 20.498 -33.099 -2.545 1.00 0.00 O ATOM 478 OD2 ASP A 33 20.656 -32.961 -0.357 1.00 0.00 O ATOM 0 H ASP A 33 21.177 -28.926 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 33 19.505 -31.148 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.841 -30.678 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.351 -30.469 -0.711 1.00 0.00 H new ATOM 483 N ARG A 34 17.988 -29.205 -3.031 1.00 0.00 N ATOM 484 CA ARG A 34 17.017 -28.154 -2.751 1.00 0.00 C ATOM 485 C ARG A 34 16.524 -28.239 -1.310 1.00 0.00 C ATOM 486 O ARG A 34 16.333 -27.219 -0.648 1.00 0.00 O ATOM 487 CB ARG A 34 15.832 -28.256 -3.713 1.00 0.00 C ATOM 488 CG ARG A 34 14.999 -26.987 -3.789 1.00 0.00 C ATOM 489 CD ARG A 34 15.638 -25.954 -4.704 1.00 0.00 C ATOM 490 NE ARG A 34 14.980 -24.654 -4.606 1.00 0.00 N ATOM 491 CZ ARG A 34 15.270 -23.752 -3.674 1.00 0.00 C ATOM 492 NH1 ARG A 34 16.201 -24.008 -2.766 1.00 0.00 N ATOM 493 NH2 ARG A 34 14.628 -22.591 -3.650 1.00 0.00 N ATOM 0 H ARG A 34 17.663 -29.915 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 34 17.510 -27.192 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.203 -28.497 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.193 -29.082 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.000 -27.228 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.882 -26.567 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.692 -25.847 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.594 -26.306 -5.735 1.00 0.00 H new ATOM 0 HE ARG A 34 14.259 -24.426 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.697 -24.899 -2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.421 -23.314 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.911 -22.390 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.851 -21.899 -2.934 1.00 0.00 H new ATOM 507 N GLU A 35 16.321 -29.462 -0.830 1.00 0.00 N ATOM 508 CA GLU A 35 15.849 -29.679 0.532 1.00 0.00 C ATOM 509 C GLU A 35 16.829 -29.097 1.547 1.00 0.00 C ATOM 510 O GLU A 35 16.436 -28.362 2.452 1.00 0.00 O ATOM 511 CB GLU A 35 15.653 -31.173 0.796 1.00 0.00 C ATOM 512 CG GLU A 35 14.241 -31.661 0.518 1.00 0.00 C ATOM 513 CD GLU A 35 13.506 -32.068 1.780 1.00 0.00 C ATOM 514 OE1 GLU A 35 12.905 -31.186 2.429 1.00 0.00 O ATOM 515 OE2 GLU A 35 13.530 -33.270 2.119 1.00 0.00 O ATOM 0 H GLU A 35 16.476 -30.317 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 35 14.892 -29.169 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.351 -31.737 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.904 -31.386 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.681 -30.873 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.282 -32.510 -0.164 1.00 0.00 H new ATOM 522 N GLN A 36 18.105 -29.431 1.387 1.00 0.00 N ATOM 523 CA GLN A 36 19.141 -28.943 2.289 1.00 0.00 C ATOM 524 C GLN A 36 19.531 -27.509 1.945 1.00 0.00 C ATOM 525 O GLN A 36 19.893 -26.726 2.822 1.00 0.00 O ATOM 526 CB GLN A 36 20.372 -29.848 2.224 1.00 0.00 C ATOM 527 CG GLN A 36 20.044 -31.330 2.315 1.00 0.00 C ATOM 528 CD GLN A 36 21.141 -32.131 2.987 1.00 0.00 C ATOM 529 OE1 GLN A 36 21.955 -32.771 2.320 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.170 -32.100 4.314 1.00 0.00 N ATOM 0 H GLN A 36 18.446 -30.037 0.641 1.00 0.00 H new ATOM 0 HA GLN A 36 18.741 -28.958 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.903 -29.659 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.050 -29.584 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.114 -31.459 2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.875 -31.723 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.476 -31.556 4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.887 -32.620 4.821 1.00 0.00 H new ATOM 539 N GLY A 37 19.455 -27.172 0.661 1.00 0.00 N ATOM 540 CA GLY A 37 19.803 -25.833 0.224 1.00 0.00 C ATOM 541 C GLY A 37 21.239 -25.734 -0.252 1.00 0.00 C ATOM 542 O GLY A 37 21.851 -24.667 -0.181 1.00 0.00 O ATOM 0 H GLY A 37 19.159 -27.803 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.134 -25.532 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.647 -25.134 1.045 1.00 0.00 H new ATOM 546 N ILE A 38 21.779 -26.847 -0.736 1.00 0.00 N ATOM 547 CA ILE A 38 23.152 -26.880 -1.224 1.00 0.00 C ATOM 548 C ILE A 38 23.218 -26.516 -2.703 1.00 0.00 C ATOM 549 O ILE A 38 22.366 -26.923 -3.493 1.00 0.00 O ATOM 550 CB ILE A 38 23.788 -28.267 -1.020 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.763 -28.651 0.461 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.214 -28.279 -1.551 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.789 -30.145 0.699 1.00 0.00 C ATOM 0 H ILE A 38 21.287 -27.738 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 38 23.711 -26.144 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 38 23.207 -29.002 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.619 -28.197 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 38 22.867 -28.234 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.650 -29.266 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.208 -28.044 -2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.807 -27.535 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.769 -30.343 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 38 22.919 -30.603 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.698 -30.566 0.269 1.00 0.00 H new ATOM 565 N PHE A 39 24.237 -25.747 -3.073 1.00 0.00 N ATOM 566 CA PHE A 39 24.416 -25.328 -4.458 1.00 0.00 C ATOM 567 C PHE A 39 25.895 -25.313 -4.835 1.00 0.00 C ATOM 568 O PHE A 39 26.763 -25.138 -3.979 1.00 0.00 O ATOM 569 CB PHE A 39 23.808 -23.941 -4.676 1.00 0.00 C ATOM 570 CG PHE A 39 24.554 -22.842 -3.973 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.435 -22.673 -2.603 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.373 -21.979 -4.683 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.120 -21.663 -1.954 1.00 0.00 C ATOM 574 CE2 PHE A 39 26.061 -20.968 -4.038 1.00 0.00 C ATOM 575 CZ PHE A 39 25.933 -20.809 -2.672 1.00 0.00 C ATOM 0 H PHE A 39 24.952 -25.401 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 39 23.903 -26.046 -5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.784 -23.727 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.775 -23.947 -4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.800 -23.338 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.475 -22.097 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 39 25.019 -21.542 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.698 -20.303 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.468 -20.018 -2.167 1.00 0.00 H new ATOM 585 N ARG A 40 26.174 -25.497 -6.121 1.00 0.00 N ATOM 586 CA ARG A 40 27.546 -25.506 -6.612 1.00 0.00 C ATOM 587 C ARG A 40 27.791 -24.339 -7.564 1.00 0.00 C ATOM 588 O ARG A 40 26.906 -23.950 -8.326 1.00 0.00 O ATOM 589 CB ARG A 40 27.849 -26.828 -7.320 1.00 0.00 C ATOM 590 CG ARG A 40 29.161 -26.822 -8.087 1.00 0.00 C ATOM 591 CD ARG A 40 29.640 -28.235 -8.382 1.00 0.00 C ATOM 592 NE ARG A 40 30.889 -28.242 -9.139 1.00 0.00 N ATOM 593 CZ ARG A 40 31.474 -29.350 -9.580 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.927 -30.534 -9.340 1.00 0.00 N ATOM 595 NH2 ARG A 40 32.610 -29.275 -10.263 1.00 0.00 N ATOM 0 H ARG A 40 25.467 -25.642 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 40 28.212 -25.400 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.874 -27.629 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.036 -27.056 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.034 -26.277 -9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.919 -26.293 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.781 -28.773 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.873 -28.768 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 40 31.336 -27.348 -9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 40 30.054 -30.596 -8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.379 -31.383 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 33.034 -28.366 -10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 40 33.059 -30.126 -10.601 1.00 0.00 H new ATOM 609 N VAL A 41 28.998 -23.785 -7.514 1.00 0.00 N ATOM 610 CA VAL A 41 29.360 -22.663 -8.372 1.00 0.00 C ATOM 611 C VAL A 41 29.989 -23.147 -9.674 1.00 0.00 C ATOM 612 O VAL A 41 31.212 -23.210 -9.799 1.00 0.00 O ATOM 613 CB VAL A 41 30.341 -21.709 -7.665 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.691 -20.536 -8.568 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.755 -21.222 -6.348 1.00 0.00 C ATOM 0 H VAL A 41 29.742 -24.095 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 41 28.438 -22.125 -8.595 1.00 0.00 H new ATOM 0 HB VAL A 41 31.259 -22.256 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.385 -19.873 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.156 -20.906 -9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.784 -19.987 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.462 -20.549 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.822 -20.692 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.561 -22.075 -5.698 1.00 0.00 H new ATOM 625 N VAL A 42 29.144 -23.487 -10.642 1.00 0.00 N ATOM 626 CA VAL A 42 29.616 -23.965 -11.936 1.00 0.00 C ATOM 627 C VAL A 42 30.581 -22.969 -12.570 1.00 0.00 C ATOM 628 O VAL A 42 31.689 -23.328 -12.968 1.00 0.00 O ATOM 629 CB VAL A 42 28.444 -24.215 -12.903 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.948 -24.810 -14.210 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.407 -25.122 -12.260 1.00 0.00 C ATOM 0 H VAL A 42 28.129 -23.440 -10.555 1.00 0.00 H new ATOM 0 HA VAL A 42 30.136 -24.906 -11.756 1.00 0.00 H new ATOM 0 HB VAL A 42 27.969 -23.259 -13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.106 -24.980 -14.881 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.651 -24.120 -14.677 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.449 -25.757 -14.009 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.586 -25.288 -12.958 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.866 -26.077 -12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.024 -24.652 -11.354 1.00 0.00 H new ATOM 641 N LYS A 43 30.152 -21.714 -12.662 1.00 0.00 N ATOM 642 CA LYS A 43 30.977 -20.664 -13.246 1.00 0.00 C ATOM 643 C LYS A 43 31.422 -19.667 -12.181 1.00 0.00 C ATOM 644 O LYS A 43 30.734 -18.682 -11.913 1.00 0.00 O ATOM 645 CB LYS A 43 30.207 -19.937 -14.350 1.00 0.00 C ATOM 646 CG LYS A 43 29.940 -20.797 -15.573 1.00 0.00 C ATOM 647 CD LYS A 43 28.966 -20.125 -16.527 1.00 0.00 C ATOM 648 CE LYS A 43 28.824 -20.908 -17.823 1.00 0.00 C ATOM 649 NZ LYS A 43 29.889 -20.558 -18.802 1.00 0.00 N ATOM 0 H LYS A 43 29.237 -21.400 -12.339 1.00 0.00 H new ATOM 0 HA LYS A 43 31.864 -21.130 -13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.256 -19.587 -13.948 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.770 -19.054 -14.653 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.878 -20.996 -16.091 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.538 -21.761 -15.260 1.00 0.00 H new ATOM 0 HD2 LYS A 43 27.991 -20.033 -16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.310 -19.114 -16.747 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.865 -21.976 -17.608 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.847 -20.708 -18.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.757 -21.113 -19.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.834 -19.544 -19.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.821 -20.772 -18.393 1.00 0.00 H new ATOM 663 N SER A 44 32.578 -19.928 -11.578 1.00 0.00 N ATOM 664 CA SER A 44 33.114 -19.054 -10.541 1.00 0.00 C ATOM 665 C SER A 44 33.460 -17.682 -11.112 1.00 0.00 C ATOM 666 O SER A 44 33.403 -16.674 -10.409 1.00 0.00 O ATOM 667 CB SER A 44 34.356 -19.683 -9.907 1.00 0.00 C ATOM 668 OG SER A 44 35.415 -19.778 -10.844 1.00 0.00 O ATOM 0 H SER A 44 33.161 -20.738 -11.790 1.00 0.00 H new ATOM 0 HA SER A 44 32.348 -18.927 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.675 -19.085 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.112 -20.675 -9.528 1.00 0.00 H new ATOM 0 HG SER A 44 36.197 -20.182 -10.414 1.00 0.00 H new ATOM 674 N GLU A 45 33.818 -17.654 -12.392 1.00 0.00 N ATOM 675 CA GLU A 45 34.173 -16.406 -13.058 1.00 0.00 C ATOM 676 C GLU A 45 32.934 -15.553 -13.314 1.00 0.00 C ATOM 677 O GLU A 45 32.906 -14.367 -12.987 1.00 0.00 O ATOM 678 CB GLU A 45 34.890 -16.693 -14.379 1.00 0.00 C ATOM 679 CG GLU A 45 36.321 -17.175 -14.203 1.00 0.00 C ATOM 680 CD GLU A 45 37.285 -16.042 -13.908 1.00 0.00 C ATOM 681 OE1 GLU A 45 37.430 -15.679 -12.722 1.00 0.00 O ATOM 682 OE2 GLU A 45 37.896 -15.520 -14.864 1.00 0.00 O ATOM 0 H GLU A 45 33.870 -18.480 -12.988 1.00 0.00 H new ATOM 0 HA GLU A 45 34.844 -15.852 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.328 -17.445 -14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 34.893 -15.787 -14.986 1.00 0.00 H new ATOM 0 HG2 GLU A 45 36.359 -17.900 -13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 45 36.640 -17.693 -15.108 1.00 0.00 H new ATOM 689 N ALA A 46 31.912 -16.167 -13.901 1.00 0.00 N ATOM 690 CA ALA A 46 30.669 -15.466 -14.200 1.00 0.00 C ATOM 691 C ALA A 46 29.981 -14.999 -12.921 1.00 0.00 C ATOM 692 O ALA A 46 29.401 -13.913 -12.877 1.00 0.00 O ATOM 693 CB ALA A 46 29.739 -16.360 -15.006 1.00 0.00 C ATOM 0 H ALA A 46 31.920 -17.148 -14.179 1.00 0.00 H new ATOM 0 HA ALA A 46 30.912 -14.585 -14.794 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.815 -15.823 -15.222 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.223 -16.639 -15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.511 -17.259 -14.433 1.00 0.00 H new ATOM 699 N LEU A 47 30.049 -15.825 -11.883 1.00 0.00 N ATOM 700 CA LEU A 47 29.432 -15.497 -10.603 1.00 0.00 C ATOM 701 C LEU A 47 29.941 -14.157 -10.080 1.00 0.00 C ATOM 702 O LEU A 47 29.155 -13.267 -9.756 1.00 0.00 O ATOM 703 CB LEU A 47 29.716 -16.598 -9.580 1.00 0.00 C ATOM 704 CG LEU A 47 29.367 -16.272 -8.128 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.883 -15.967 -7.991 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.764 -17.421 -7.212 1.00 0.00 C ATOM 0 H LEU A 47 30.525 -16.727 -11.903 1.00 0.00 H new ATOM 0 HA LEU A 47 28.355 -15.421 -10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.163 -17.490 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.776 -16.848 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 47 29.928 -15.386 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.653 -15.737 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.628 -15.111 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.303 -16.834 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.508 -17.171 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.231 -18.324 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.838 -17.592 -7.287 1.00 0.00 H new ATOM 718 N ALA A 48 31.261 -14.021 -10.002 1.00 0.00 N ATOM 719 CA ALA A 48 31.875 -12.789 -9.523 1.00 0.00 C ATOM 720 C ALA A 48 31.607 -11.634 -10.481 1.00 0.00 C ATOM 721 O ALA A 48 31.165 -10.561 -10.069 1.00 0.00 O ATOM 722 CB ALA A 48 33.372 -12.985 -9.334 1.00 0.00 C ATOM 0 H ALA A 48 31.925 -14.749 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 48 31.428 -12.539 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.818 -12.057 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.546 -13.776 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.826 -13.262 -10.286 1.00 0.00 H new ATOM 728 N LYS A 49 31.878 -11.859 -11.762 1.00 0.00 N ATOM 729 CA LYS A 49 31.666 -10.837 -12.781 1.00 0.00 C ATOM 730 C LYS A 49 30.269 -10.234 -12.664 1.00 0.00 C ATOM 731 O LYS A 49 30.108 -9.014 -12.666 1.00 0.00 O ATOM 732 CB LYS A 49 31.861 -11.431 -14.177 1.00 0.00 C ATOM 733 CG LYS A 49 33.111 -10.931 -14.882 1.00 0.00 C ATOM 734 CD LYS A 49 34.179 -12.008 -14.955 1.00 0.00 C ATOM 735 CE LYS A 49 35.291 -11.626 -15.919 1.00 0.00 C ATOM 736 NZ LYS A 49 34.922 -11.912 -17.333 1.00 0.00 N ATOM 0 H LYS A 49 32.245 -12.741 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 49 32.399 -10.046 -12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.909 -12.517 -14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.990 -11.194 -14.788 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.855 -10.603 -15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.505 -10.062 -14.354 1.00 0.00 H new ATOM 0 HD2 LYS A 49 34.598 -12.174 -13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 49 33.728 -12.948 -15.272 1.00 0.00 H new ATOM 0 HE2 LYS A 49 35.517 -10.565 -15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 49 36.198 -12.173 -15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 35.706 -11.638 -17.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 34.731 -12.928 -17.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 34.071 -11.370 -17.586 1.00 0.00 H new ATOM 750 N MET A 50 29.264 -11.097 -12.562 1.00 0.00 N ATOM 751 CA MET A 50 27.882 -10.648 -12.441 1.00 0.00 C ATOM 752 C MET A 50 27.659 -9.922 -11.119 1.00 0.00 C ATOM 753 O MET A 50 27.048 -8.854 -11.082 1.00 0.00 O ATOM 754 CB MET A 50 26.925 -11.837 -12.551 1.00 0.00 C ATOM 755 CG MET A 50 26.369 -12.043 -13.950 1.00 0.00 C ATOM 756 SD MET A 50 24.767 -11.249 -14.184 1.00 0.00 S ATOM 757 CE MET A 50 23.744 -12.216 -13.077 1.00 0.00 C ATOM 0 H MET A 50 29.380 -12.110 -12.561 1.00 0.00 H new ATOM 0 HA MET A 50 27.681 -9.952 -13.255 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.446 -12.742 -12.239 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.097 -11.691 -11.858 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.076 -11.648 -14.680 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.273 -13.111 -14.145 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.904 -12.636 -13.631 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.336 -13.024 -12.648 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.368 -11.577 -12.278 1.00 0.00 H new ATOM 767 N TRP A 51 28.157 -10.508 -10.036 1.00 0.00 N ATOM 768 CA TRP A 51 28.012 -9.916 -8.711 1.00 0.00 C ATOM 769 C TRP A 51 28.533 -8.483 -8.695 1.00 0.00 C ATOM 770 O TRP A 51 27.837 -7.565 -8.263 1.00 0.00 O ATOM 771 CB TRP A 51 28.757 -10.754 -7.671 1.00 0.00 C ATOM 772 CG TRP A 51 28.821 -10.106 -6.321 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.935 -9.918 -5.554 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.723 -9.563 -5.579 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.596 -9.290 -4.379 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.245 -9.061 -4.371 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.351 -9.450 -5.818 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.442 -8.458 -3.406 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.555 -8.851 -4.860 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.102 -8.361 -3.667 1.00 0.00 C ATOM 0 H TRP A 51 28.665 -11.393 -10.049 1.00 0.00 H new ATOM 0 HA TRP A 51 26.951 -9.900 -8.462 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.268 -11.723 -7.578 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.771 -10.941 -8.025 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.935 -10.218 -5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.245 -9.036 -3.634 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.920 -9.824 -6.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.861 -8.081 -2.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.493 -8.759 -5.034 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.453 -7.897 -2.939 1.00 0.00 H new ATOM 791 N GLY A 52 29.761 -8.298 -9.171 1.00 0.00 N ATOM 792 CA GLY A 52 30.353 -6.974 -9.202 1.00 0.00 C ATOM 793 C GLY A 52 29.429 -5.940 -9.816 1.00 0.00 C ATOM 794 O GLY A 52 29.259 -4.850 -9.271 1.00 0.00 O ATOM 0 H GLY A 52 30.356 -9.042 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.610 -6.670 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.283 -7.008 -9.769 1.00 0.00 H new ATOM 798 N GLN A 53 28.834 -6.283 -10.954 1.00 0.00 N ATOM 799 CA GLN A 53 27.925 -5.375 -11.644 1.00 0.00 C ATOM 800 C GLN A 53 26.868 -4.833 -10.688 1.00 0.00 C ATOM 801 O GLN A 53 26.390 -3.709 -10.848 1.00 0.00 O ATOM 802 CB GLN A 53 27.251 -6.088 -12.817 1.00 0.00 C ATOM 803 CG GLN A 53 28.182 -6.339 -13.992 1.00 0.00 C ATOM 804 CD GLN A 53 28.185 -5.198 -14.989 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.195 -4.478 -15.130 1.00 0.00 O ATOM 806 NE2 GLN A 53 29.300 -5.024 -15.688 1.00 0.00 N ATOM 0 H GLN A 53 28.965 -7.182 -11.417 1.00 0.00 H new ATOM 0 HA GLN A 53 28.509 -4.537 -12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.851 -7.041 -12.471 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.404 -5.491 -13.156 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.195 -6.495 -13.621 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.883 -7.257 -14.498 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.097 -5.643 -15.540 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.360 -4.271 -16.373 1.00 0.00 H new ATOM 815 N ARG A 54 26.507 -5.638 -9.694 1.00 0.00 N ATOM 816 CA ARG A 54 25.505 -5.239 -8.713 1.00 0.00 C ATOM 817 C ARG A 54 26.080 -4.221 -7.732 1.00 0.00 C ATOM 818 O ARG A 54 25.392 -3.290 -7.312 1.00 0.00 O ATOM 819 CB ARG A 54 24.990 -6.462 -7.952 1.00 0.00 C ATOM 820 CG ARG A 54 24.866 -7.708 -8.814 1.00 0.00 C ATOM 821 CD ARG A 54 24.012 -7.450 -10.045 1.00 0.00 C ATOM 822 NE ARG A 54 22.646 -7.940 -9.877 1.00 0.00 N ATOM 823 CZ ARG A 54 21.687 -7.766 -10.779 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.942 -7.118 -11.907 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.469 -8.242 -10.554 1.00 0.00 N ATOM 0 H ARG A 54 26.894 -6.570 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 54 24.675 -4.776 -9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.662 -6.671 -7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.015 -6.229 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.858 -8.040 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.427 -8.515 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.990 -6.380 -10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.467 -7.934 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 54 22.416 -8.443 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.877 -6.751 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.203 -6.986 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.269 -8.742 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.733 -8.108 -11.247 1.00 0.00 H new ATOM 839 N LYS A 55 27.345 -4.405 -7.370 1.00 0.00 N ATOM 840 CA LYS A 55 28.013 -3.504 -6.439 1.00 0.00 C ATOM 841 C LYS A 55 28.774 -2.414 -7.188 1.00 0.00 C ATOM 842 O LYS A 55 29.456 -1.588 -6.580 1.00 0.00 O ATOM 843 CB LYS A 55 28.974 -4.286 -5.541 1.00 0.00 C ATOM 844 CG LYS A 55 28.275 -5.240 -4.588 1.00 0.00 C ATOM 845 CD LYS A 55 28.427 -4.797 -3.143 1.00 0.00 C ATOM 846 CE LYS A 55 27.114 -4.912 -2.384 1.00 0.00 C ATOM 847 NZ LYS A 55 27.330 -5.271 -0.954 1.00 0.00 N ATOM 0 H LYS A 55 27.928 -5.171 -7.708 1.00 0.00 H new ATOM 0 HA LYS A 55 27.251 -3.031 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.664 -4.852 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.572 -3.582 -4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.217 -5.299 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.687 -6.242 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 55 29.187 -5.406 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.777 -3.765 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.576 -3.966 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.486 -5.667 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.412 -5.340 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.821 -6.186 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.908 -4.538 -0.496 1.00 0.00 H new ATOM 861 N LYS A 56 28.653 -2.417 -8.511 1.00 0.00 N ATOM 862 CA LYS A 56 29.326 -1.428 -9.344 1.00 0.00 C ATOM 863 C LYS A 56 30.784 -1.266 -8.925 1.00 0.00 C ATOM 864 O LYS A 56 31.274 -0.149 -8.769 1.00 0.00 O ATOM 865 CB LYS A 56 28.606 -0.080 -9.254 1.00 0.00 C ATOM 866 CG LYS A 56 27.456 0.061 -10.236 1.00 0.00 C ATOM 867 CD LYS A 56 26.238 -0.728 -9.785 1.00 0.00 C ATOM 868 CE LYS A 56 25.207 0.171 -9.119 1.00 0.00 C ATOM 869 NZ LYS A 56 24.966 -0.217 -7.702 1.00 0.00 N ATOM 0 H LYS A 56 28.094 -3.094 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 56 29.299 -1.779 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.226 0.053 -8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.325 0.719 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.191 1.113 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 56 27.772 -0.286 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 56 25.788 -1.226 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 56 26.546 -1.508 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.547 1.206 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.270 0.122 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.023 0.110 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.018 -1.252 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.689 0.220 -7.095 1.00 0.00 H new ATOM 883 N ASN A 57 31.472 -2.389 -8.748 1.00 0.00 N ATOM 884 CA ASN A 57 32.875 -2.371 -8.348 1.00 0.00 C ATOM 885 C ASN A 57 33.788 -2.379 -9.570 1.00 0.00 C ATOM 886 O ASN A 57 34.769 -1.637 -9.629 1.00 0.00 O ATOM 887 CB ASN A 57 33.188 -3.574 -7.456 1.00 0.00 C ATOM 888 CG ASN A 57 34.634 -3.595 -7.001 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.388 -2.653 -7.246 1.00 0.00 O ATOM 890 ND2 ASN A 57 35.029 -4.674 -6.334 1.00 0.00 N ATOM 0 H ASN A 57 31.081 -3.323 -8.875 1.00 0.00 H new ATOM 0 HA ASN A 57 33.056 -1.454 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.535 -3.555 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.967 -4.493 -7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.991 -4.745 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 57 34.370 -5.431 -6.153 1.00 0.00 H new ATOM 897 N ASP A 58 33.459 -3.222 -10.543 1.00 0.00 N ATOM 898 CA ASP A 58 34.249 -3.326 -11.764 1.00 0.00 C ATOM 899 C ASP A 58 35.438 -4.260 -11.565 1.00 0.00 C ATOM 900 O ASP A 58 35.857 -4.954 -12.492 1.00 0.00 O ATOM 901 CB ASP A 58 34.738 -1.943 -12.200 1.00 0.00 C ATOM 902 CG ASP A 58 35.000 -1.865 -13.691 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.612 -2.807 -14.236 1.00 0.00 O ATOM 904 OD2 ASP A 58 34.593 -0.861 -14.313 1.00 0.00 O ATOM 0 H ASP A 58 32.651 -3.843 -10.510 1.00 0.00 H new ATOM 0 HA ASP A 58 33.612 -3.741 -12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.995 -1.195 -11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.652 -1.697 -11.660 1.00 0.00 H new ATOM 909 N ARG A 59 35.977 -4.273 -10.351 1.00 0.00 N ATOM 910 CA ARG A 59 37.119 -5.120 -10.031 1.00 0.00 C ATOM 911 C ARG A 59 36.687 -6.324 -9.198 1.00 0.00 C ATOM 912 O ARG A 59 37.429 -6.794 -8.337 1.00 0.00 O ATOM 913 CB ARG A 59 38.181 -4.319 -9.274 1.00 0.00 C ATOM 914 CG ARG A 59 38.976 -3.373 -10.160 1.00 0.00 C ATOM 915 CD ARG A 59 39.440 -2.147 -9.390 1.00 0.00 C ATOM 916 NE ARG A 59 39.685 -1.008 -10.271 1.00 0.00 N ATOM 917 CZ ARG A 59 40.785 -0.867 -11.002 1.00 0.00 C ATOM 918 NH1 ARG A 59 41.737 -1.789 -10.957 1.00 0.00 N ATOM 919 NH2 ARG A 59 40.935 0.198 -11.779 1.00 0.00 N ATOM 0 H ARG A 59 35.641 -3.706 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 59 37.544 -5.480 -10.968 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.696 -3.744 -8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.868 -5.011 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.841 -3.896 -10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.362 -3.062 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 59 38.687 -1.877 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.353 -2.386 -8.844 1.00 0.00 H new ATOM 0 HE ARG A 59 38.972 -0.281 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 59 41.625 -2.609 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 59 42.581 -1.679 -11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 59 40.205 0.910 -11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 59 41.780 0.305 -12.340 1.00 0.00 H new ATOM 933 N MET A 60 35.481 -6.817 -9.463 1.00 0.00 N ATOM 934 CA MET A 60 34.951 -7.966 -8.738 1.00 0.00 C ATOM 935 C MET A 60 35.443 -9.272 -9.354 1.00 0.00 C ATOM 936 O MET A 60 35.397 -9.452 -10.572 1.00 0.00 O ATOM 937 CB MET A 60 33.421 -7.933 -8.738 1.00 0.00 C ATOM 938 CG MET A 60 32.788 -9.147 -8.077 1.00 0.00 C ATOM 939 SD MET A 60 33.383 -9.413 -6.397 1.00 0.00 S ATOM 940 CE MET A 60 32.435 -8.184 -5.503 1.00 0.00 C ATOM 0 H MET A 60 34.854 -6.439 -10.173 1.00 0.00 H new ATOM 0 HA MET A 60 35.309 -7.913 -7.710 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.085 -7.033 -8.224 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.067 -7.863 -9.767 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.705 -9.023 -8.059 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.997 -10.033 -8.677 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.063 -8.616 -4.574 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.071 -7.329 -5.276 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.594 -7.858 -6.114 1.00 0.00 H new ATOM 950 N THR A 61 35.914 -10.181 -8.506 1.00 0.00 N ATOM 951 CA THR A 61 36.416 -11.469 -8.967 1.00 0.00 C ATOM 952 C THR A 61 36.224 -12.546 -7.906 1.00 0.00 C ATOM 953 O THR A 61 36.357 -12.283 -6.710 1.00 0.00 O ATOM 954 CB THR A 61 37.909 -11.390 -9.338 1.00 0.00 C ATOM 955 OG1 THR A 61 38.381 -12.679 -9.746 1.00 0.00 O ATOM 956 CG2 THR A 61 38.733 -10.892 -8.161 1.00 0.00 C ATOM 0 H THR A 61 35.958 -10.049 -7.496 1.00 0.00 H new ATOM 0 HA THR A 61 35.842 -11.732 -9.855 1.00 0.00 H new ATOM 0 HB THR A 61 38.019 -10.685 -10.162 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.330 -12.620 -9.982 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.784 -10.845 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.390 -9.899 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.616 -11.575 -7.320 1.00 0.00 H new ATOM 964 N TYR A 62 35.911 -13.758 -8.350 1.00 0.00 N ATOM 965 CA TYR A 62 35.700 -14.875 -7.437 1.00 0.00 C ATOM 966 C TYR A 62 36.630 -14.778 -6.231 1.00 0.00 C ATOM 967 O TYR A 62 36.219 -15.016 -5.096 1.00 0.00 O ATOM 968 CB TYR A 62 35.924 -16.203 -8.162 1.00 0.00 C ATOM 969 CG TYR A 62 35.290 -17.387 -7.466 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.962 -17.351 -7.061 1.00 0.00 C ATOM 971 CD2 TYR A 62 36.021 -18.543 -7.215 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.380 -18.430 -6.424 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.446 -19.627 -6.581 1.00 0.00 C ATOM 974 CZ TYR A 62 34.126 -19.566 -6.187 1.00 0.00 C ATOM 975 OH TYR A 62 33.549 -20.643 -5.555 1.00 0.00 O ATOM 0 H TYR A 62 35.798 -13.992 -9.336 1.00 0.00 H new ATOM 0 HA TYR A 62 34.670 -14.831 -7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.522 -16.128 -9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 62 36.995 -16.379 -8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.374 -16.464 -7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 62 37.056 -18.594 -7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.347 -18.384 -6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 62 36.027 -20.518 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 62 33.634 -20.537 -4.584 1.00 0.00 H new ATOM 985 N GLU A 63 37.885 -14.425 -6.488 1.00 0.00 N ATOM 986 CA GLU A 63 38.875 -14.296 -5.425 1.00 0.00 C ATOM 987 C GLU A 63 38.344 -13.423 -4.291 1.00 0.00 C ATOM 988 O GLU A 63 38.407 -13.800 -3.120 1.00 0.00 O ATOM 989 CB GLU A 63 40.173 -13.701 -5.975 1.00 0.00 C ATOM 990 CG GLU A 63 41.227 -14.744 -6.306 1.00 0.00 C ATOM 991 CD GLU A 63 41.230 -15.125 -7.774 1.00 0.00 C ATOM 992 OE1 GLU A 63 40.203 -15.652 -8.251 1.00 0.00 O ATOM 993 OE2 GLU A 63 42.258 -14.897 -8.445 1.00 0.00 O ATOM 0 H GLU A 63 38.240 -14.223 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 63 39.079 -15.292 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.948 -13.126 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.581 -13.003 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 63 42.210 -14.361 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.052 -15.635 -5.703 1.00 0.00 H new ATOM 1000 N LYS A 64 37.821 -12.255 -4.646 1.00 0.00 N ATOM 1001 CA LYS A 64 37.278 -11.328 -3.660 1.00 0.00 C ATOM 1002 C LYS A 64 35.874 -11.747 -3.234 1.00 0.00 C ATOM 1003 O LYS A 64 35.537 -11.711 -2.050 1.00 0.00 O ATOM 1004 CB LYS A 64 37.246 -9.907 -4.229 1.00 0.00 C ATOM 1005 CG LYS A 64 38.545 -9.491 -4.898 1.00 0.00 C ATOM 1006 CD LYS A 64 38.355 -8.258 -5.766 1.00 0.00 C ATOM 1007 CE LYS A 64 39.685 -7.727 -6.278 1.00 0.00 C ATOM 1008 NZ LYS A 64 39.730 -7.686 -7.766 1.00 0.00 N ATOM 0 H LYS A 64 37.761 -11.927 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 64 37.926 -11.348 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.434 -9.832 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 64 37.021 -9.207 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.299 -9.289 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.920 -10.312 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.710 -8.502 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 64 37.849 -7.482 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 64 39.853 -6.726 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.494 -8.356 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 40.337 -6.900 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.115 -8.582 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.769 -7.547 -8.139 1.00 0.00 H new ATOM 1022 N LEU A 65 35.061 -12.146 -4.206 1.00 0.00 N ATOM 1023 CA LEU A 65 33.694 -12.575 -3.931 1.00 0.00 C ATOM 1024 C LEU A 65 33.666 -13.642 -2.842 1.00 0.00 C ATOM 1025 O LEU A 65 32.801 -13.628 -1.966 1.00 0.00 O ATOM 1026 CB LEU A 65 33.041 -13.113 -5.205 1.00 0.00 C ATOM 1027 CG LEU A 65 31.611 -13.634 -5.058 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.775 -13.249 -6.269 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.611 -15.144 -4.866 1.00 0.00 C ATOM 0 H LEU A 65 35.324 -12.181 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 65 33.132 -11.709 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 65 33.042 -12.320 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.662 -13.920 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 65 31.167 -13.175 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.761 -13.628 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.748 -12.163 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.217 -13.679 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.585 -15.498 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.074 -15.621 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.174 -15.396 -3.967 1.00 0.00 H new ATOM 1041 N SER A 66 34.620 -14.566 -2.902 1.00 0.00 N ATOM 1042 CA SER A 66 34.704 -15.643 -1.922 1.00 0.00 C ATOM 1043 C SER A 66 34.742 -15.084 -0.503 1.00 0.00 C ATOM 1044 O SER A 66 34.270 -15.721 0.440 1.00 0.00 O ATOM 1045 CB SER A 66 35.946 -16.498 -2.178 1.00 0.00 C ATOM 1046 OG SER A 66 37.125 -15.816 -1.787 1.00 0.00 O ATOM 0 H SER A 66 35.345 -14.590 -3.619 1.00 0.00 H new ATOM 0 HA SER A 66 33.815 -16.265 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.865 -17.436 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 66 36.004 -16.753 -3.236 1.00 0.00 H new ATOM 0 HG SER A 66 37.344 -15.132 -2.454 1.00 0.00 H new ATOM 1052 N ARG A 67 35.305 -13.889 -0.359 1.00 0.00 N ATOM 1053 CA ARG A 67 35.406 -13.243 0.944 1.00 0.00 C ATOM 1054 C ARG A 67 34.069 -13.287 1.677 1.00 0.00 C ATOM 1055 O ARG A 67 34.020 -13.498 2.889 1.00 0.00 O ATOM 1056 CB ARG A 67 35.865 -11.793 0.785 1.00 0.00 C ATOM 1057 CG ARG A 67 34.723 -10.811 0.585 1.00 0.00 C ATOM 1058 CD ARG A 67 35.222 -9.375 0.549 1.00 0.00 C ATOM 1059 NE ARG A 67 35.075 -8.712 1.841 1.00 0.00 N ATOM 1060 CZ ARG A 67 35.069 -7.392 1.994 1.00 0.00 C ATOM 1061 NH1 ARG A 67 35.200 -6.599 0.940 1.00 0.00 N ATOM 1062 NH2 ARG A 67 34.931 -6.864 3.203 1.00 0.00 N ATOM 0 H ARG A 67 35.698 -13.348 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 67 36.143 -13.787 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.433 -11.502 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.543 -11.727 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.204 -11.040 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 67 33.998 -10.925 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.271 -9.363 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 67 34.670 -8.819 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 67 34.971 -9.294 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 67 35.306 -7.002 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 67 35.195 -5.586 1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 67 34.829 -7.471 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 67 34.927 -5.851 3.319 1.00 0.00 H new ATOM 1076 N ALA A 68 32.985 -13.085 0.934 1.00 0.00 N ATOM 1077 CA ALA A 68 31.648 -13.103 1.513 1.00 0.00 C ATOM 1078 C ALA A 68 31.196 -14.529 1.807 1.00 0.00 C ATOM 1079 O ALA A 68 30.505 -14.781 2.795 1.00 0.00 O ATOM 1080 CB ALA A 68 30.661 -12.416 0.581 1.00 0.00 C ATOM 0 H ALA A 68 33.007 -12.907 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 68 31.680 -12.558 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.666 -12.437 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 68 30.967 -11.382 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.641 -12.937 -0.376 1.00 0.00 H new ATOM 1086 N LEU A 69 31.588 -15.459 0.944 1.00 0.00 N ATOM 1087 CA LEU A 69 31.222 -16.861 1.110 1.00 0.00 C ATOM 1088 C LEU A 69 31.826 -17.433 2.389 1.00 0.00 C ATOM 1089 O LEU A 69 31.173 -18.185 3.113 1.00 0.00 O ATOM 1090 CB LEU A 69 31.688 -17.677 -0.097 1.00 0.00 C ATOM 1091 CG LEU A 69 31.283 -17.137 -1.469 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.753 -18.074 -2.571 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.775 -16.941 -1.540 1.00 0.00 C ATOM 0 H LEU A 69 32.160 -15.267 0.121 1.00 0.00 H new ATOM 0 HA LEU A 69 30.136 -16.921 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.775 -17.749 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.298 -18.690 0.002 1.00 0.00 H new ATOM 0 HG LEU A 69 31.763 -16.169 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.456 -17.674 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.839 -18.165 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.302 -19.056 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.504 -16.556 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.276 -17.896 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.464 -16.231 -0.774 1.00 0.00 H new ATOM 1105 N ARG A 70 33.076 -17.071 2.661 1.00 0.00 N ATOM 1106 CA ARG A 70 33.767 -17.547 3.852 1.00 0.00 C ATOM 1107 C ARG A 70 33.435 -16.675 5.059 1.00 0.00 C ATOM 1108 O ARG A 70 33.588 -17.098 6.205 1.00 0.00 O ATOM 1109 CB ARG A 70 35.279 -17.560 3.620 1.00 0.00 C ATOM 1110 CG ARG A 70 35.729 -18.586 2.593 1.00 0.00 C ATOM 1111 CD ARG A 70 36.334 -19.812 3.259 1.00 0.00 C ATOM 1112 NE ARG A 70 37.750 -19.966 2.938 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.203 -20.241 1.720 1.00 0.00 C ATOM 1114 NH1 ARG A 70 37.354 -20.391 0.712 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.506 -20.366 1.508 1.00 0.00 N ATOM 0 H ARG A 70 33.630 -16.449 2.072 1.00 0.00 H new ATOM 0 HA ARG A 70 33.428 -18.563 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.597 -16.569 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.781 -17.761 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.879 -18.886 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.462 -18.135 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.214 -19.734 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.791 -20.702 2.941 1.00 0.00 H new ATOM 0 HE ARG A 70 38.429 -19.856 3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 70 36.351 -20.295 0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 70 37.704 -20.602 -0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.162 -20.251 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 70 39.852 -20.577 0.572 1.00 0.00 H new ATOM 1129 N TYR A 71 32.979 -15.456 4.794 1.00 0.00 N ATOM 1130 CA TYR A 71 32.627 -14.522 5.857 1.00 0.00 C ATOM 1131 C TYR A 71 31.207 -14.773 6.354 1.00 0.00 C ATOM 1132 O TYR A 71 30.802 -14.259 7.397 1.00 0.00 O ATOM 1133 CB TYR A 71 32.761 -13.081 5.364 1.00 0.00 C ATOM 1134 CG TYR A 71 31.956 -12.088 6.172 1.00 0.00 C ATOM 1135 CD1 TYR A 71 32.350 -11.723 7.453 1.00 0.00 C ATOM 1136 CD2 TYR A 71 30.802 -11.514 5.653 1.00 0.00 C ATOM 1137 CE1 TYR A 71 31.617 -10.817 8.195 1.00 0.00 C ATOM 1138 CE2 TYR A 71 30.063 -10.605 6.387 1.00 0.00 C ATOM 1139 CZ TYR A 71 30.475 -10.261 7.658 1.00 0.00 C ATOM 1140 OH TYR A 71 29.743 -9.356 8.393 1.00 0.00 O ATOM 0 H TYR A 71 32.844 -15.091 3.851 1.00 0.00 H new ATOM 0 HA TYR A 71 33.316 -14.679 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.812 -12.792 5.392 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.444 -13.031 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 71 33.245 -12.155 7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.477 -11.783 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 71 31.937 -10.546 9.190 1.00 0.00 H new ATOM 0 HE2 TYR A 71 29.169 -10.167 5.968 1.00 0.00 H new ATOM 0 HH TYR A 71 28.970 -9.059 7.870 1.00 0.00 H new ATOM 1150 N TYR A 72 30.455 -15.567 5.600 1.00 0.00 N ATOM 1151 CA TYR A 72 29.078 -15.885 5.961 1.00 0.00 C ATOM 1152 C TYR A 72 29.030 -17.032 6.965 1.00 0.00 C ATOM 1153 O TYR A 72 28.036 -17.215 7.668 1.00 0.00 O ATOM 1154 CB TYR A 72 28.273 -16.251 4.713 1.00 0.00 C ATOM 1155 CG TYR A 72 27.847 -15.053 3.894 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.309 -13.926 4.503 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.984 -15.047 2.511 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.918 -12.830 3.759 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.597 -13.955 1.759 1.00 0.00 C ATOM 1160 CZ TYR A 72 27.064 -12.849 2.388 1.00 0.00 C ATOM 1161 OH TYR A 72 26.677 -11.758 1.643 1.00 0.00 O ATOM 0 H TYR A 72 30.775 -16.002 4.735 1.00 0.00 H new ATOM 0 HA TYR A 72 28.637 -15.002 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.870 -16.914 4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.386 -16.809 5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.195 -13.907 5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.400 -15.912 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.500 -11.963 4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.711 -13.967 0.685 1.00 0.00 H new ATOM 0 HH TYR A 72 27.471 -11.310 1.283 1.00 0.00 H new ATOM 1171 N TYR A 73 30.111 -17.802 7.027 1.00 0.00 N ATOM 1172 CA TYR A 73 30.193 -18.933 7.943 1.00 0.00 C ATOM 1173 C TYR A 73 30.128 -18.464 9.394 1.00 0.00 C ATOM 1174 O TYR A 73 29.472 -19.085 10.230 1.00 0.00 O ATOM 1175 CB TYR A 73 31.485 -19.716 7.706 1.00 0.00 C ATOM 1176 CG TYR A 73 31.612 -20.264 6.303 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.496 -20.715 5.608 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.848 -20.332 5.671 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.607 -21.217 4.326 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.968 -20.832 4.389 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.845 -21.273 3.721 1.00 0.00 C ATOM 1182 OH TYR A 73 31.961 -21.773 2.444 1.00 0.00 O ATOM 0 H TYR A 73 30.943 -17.663 6.453 1.00 0.00 H new ATOM 0 HA TYR A 73 29.341 -19.585 7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.336 -19.067 7.912 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.535 -20.542 8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.525 -20.672 6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.730 -19.988 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.729 -21.564 3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.936 -20.877 3.912 1.00 0.00 H new ATOM 0 HH TYR A 73 31.505 -21.175 1.816 1.00 0.00 H new ATOM 1192 N LYS A 74 30.812 -17.363 9.684 1.00 0.00 N ATOM 1193 CA LYS A 74 30.832 -16.808 11.032 1.00 0.00 C ATOM 1194 C LYS A 74 29.433 -16.384 11.467 1.00 0.00 C ATOM 1195 O LYS A 74 29.063 -16.526 12.633 1.00 0.00 O ATOM 1196 CB LYS A 74 31.783 -15.610 11.098 1.00 0.00 C ATOM 1197 CG LYS A 74 31.586 -14.614 9.969 1.00 0.00 C ATOM 1198 CD LYS A 74 31.663 -13.182 10.468 1.00 0.00 C ATOM 1199 CE LYS A 74 33.105 -12.721 10.619 1.00 0.00 C ATOM 1200 NZ LYS A 74 33.517 -12.645 12.048 1.00 0.00 N ATOM 0 H LYS A 74 31.360 -16.837 9.003 1.00 0.00 H new ATOM 0 HA LYS A 74 31.185 -17.583 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 74 31.644 -15.099 12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 74 32.811 -15.971 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.346 -14.775 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 74 30.618 -14.784 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 74 31.141 -12.525 9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 74 31.152 -13.102 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 74 33.763 -13.408 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 74 33.224 -11.742 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 34.505 -12.327 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 32.905 -11.970 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 33.428 -13.584 12.485 1.00 0.00 H new ATOM 1214 N THR A 75 28.657 -15.863 10.521 1.00 0.00 N ATOM 1215 CA THR A 75 27.298 -15.419 10.806 1.00 0.00 C ATOM 1216 C THR A 75 26.302 -16.562 10.651 1.00 0.00 C ATOM 1217 O THR A 75 25.177 -16.489 11.144 1.00 0.00 O ATOM 1218 CB THR A 75 26.881 -14.259 9.882 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.628 -14.752 8.562 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.962 -13.191 9.832 1.00 0.00 C ATOM 0 H THR A 75 28.947 -15.738 9.551 1.00 0.00 H new ATOM 0 HA THR A 75 27.289 -15.072 11.839 1.00 0.00 H new ATOM 0 HB THR A 75 25.971 -13.813 10.283 1.00 0.00 H new ATOM 0 HG1 THR A 75 27.228 -15.504 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.645 -12.383 9.173 1.00 0.00 H new ATOM 0 HG22 THR A 75 28.131 -12.797 10.834 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.886 -13.626 9.452 1.00 0.00 H new ATOM 1228 N GLY A 76 26.723 -17.618 9.962 1.00 0.00 N ATOM 1229 CA GLY A 76 25.855 -18.762 9.754 1.00 0.00 C ATOM 1230 C GLY A 76 25.111 -18.694 8.435 1.00 0.00 C ATOM 1231 O GLY A 76 24.637 -19.711 7.929 1.00 0.00 O ATOM 0 H GLY A 76 27.650 -17.702 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.449 -19.675 9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.136 -18.821 10.571 1.00 0.00 H new ATOM 1235 N ILE A 77 25.007 -17.492 7.878 1.00 0.00 N ATOM 1236 CA ILE A 77 24.315 -17.295 6.610 1.00 0.00 C ATOM 1237 C ILE A 77 24.589 -18.448 5.650 1.00 0.00 C ATOM 1238 O ILE A 77 23.673 -18.970 5.012 1.00 0.00 O ATOM 1239 CB ILE A 77 24.734 -15.973 5.939 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.157 -14.782 6.707 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.276 -15.947 4.489 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.752 -14.414 6.286 1.00 0.00 C ATOM 0 H ILE A 77 25.393 -16.640 8.285 1.00 0.00 H new ATOM 0 HA ILE A 77 23.249 -17.257 6.835 1.00 0.00 H new ATOM 0 HB ILE A 77 25.821 -15.901 5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.160 -15.012 7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.808 -13.919 6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.579 -15.007 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.729 -16.778 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.190 -16.037 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.408 -13.562 6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.746 -14.153 5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.088 -15.262 6.454 1.00 0.00 H new ATOM 1254 N LEU A 78 25.854 -18.842 5.552 1.00 0.00 N ATOM 1255 CA LEU A 78 26.249 -19.935 4.671 1.00 0.00 C ATOM 1256 C LEU A 78 26.646 -21.167 5.477 1.00 0.00 C ATOM 1257 O LEU A 78 26.566 -21.170 6.704 1.00 0.00 O ATOM 1258 CB LEU A 78 27.411 -19.500 3.776 1.00 0.00 C ATOM 1259 CG LEU A 78 27.104 -19.393 2.282 1.00 0.00 C ATOM 1260 CD1 LEU A 78 25.814 -18.619 2.056 1.00 0.00 C ATOM 1261 CD2 LEU A 78 28.260 -18.732 1.546 1.00 0.00 C ATOM 0 H LEU A 78 26.624 -18.421 6.072 1.00 0.00 H new ATOM 0 HA LEU A 78 25.394 -20.193 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 78 27.768 -18.530 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.230 -20.207 3.908 1.00 0.00 H new ATOM 0 HG LEU A 78 26.974 -20.400 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 78 25.612 -18.553 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 78 24.990 -19.133 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 78 25.915 -17.615 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 78 28.024 -18.664 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 78 28.422 -17.731 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 29.164 -19.326 1.680 1.00 0.00 H new ATOM 1273 N GLU A 79 27.077 -22.212 4.777 1.00 0.00 N ATOM 1274 CA GLU A 79 27.488 -23.450 5.428 1.00 0.00 C ATOM 1275 C GLU A 79 28.905 -23.839 5.014 1.00 0.00 C ATOM 1276 O GLU A 79 29.218 -23.907 3.826 1.00 0.00 O ATOM 1277 CB GLU A 79 26.516 -24.581 5.084 1.00 0.00 C ATOM 1278 CG GLU A 79 26.069 -25.388 6.291 1.00 0.00 C ATOM 1279 CD GLU A 79 25.766 -26.834 5.947 1.00 0.00 C ATOM 1280 OE1 GLU A 79 26.507 -27.416 5.127 1.00 0.00 O ATOM 1281 OE2 GLU A 79 24.789 -27.383 6.496 1.00 0.00 O ATOM 0 H GLU A 79 27.150 -22.226 3.760 1.00 0.00 H new ATOM 0 HA GLU A 79 27.475 -23.285 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.638 -24.158 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.990 -25.250 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.847 -25.355 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.180 -24.927 6.722 1.00 0.00 H new ATOM 1288 N ARG A 80 29.756 -24.091 6.003 1.00 0.00 N ATOM 1289 CA ARG A 80 31.139 -24.470 5.743 1.00 0.00 C ATOM 1290 C ARG A 80 31.215 -25.872 5.145 1.00 0.00 C ATOM 1291 O ARG A 80 31.105 -26.869 5.858 1.00 0.00 O ATOM 1292 CB ARG A 80 31.959 -24.409 7.033 1.00 0.00 C ATOM 1293 CG ARG A 80 33.349 -23.824 6.845 1.00 0.00 C ATOM 1294 CD ARG A 80 33.787 -23.027 8.063 1.00 0.00 C ATOM 1295 NE ARG A 80 35.231 -22.803 8.080 1.00 0.00 N ATOM 1296 CZ ARG A 80 35.830 -21.935 8.888 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.115 -21.215 9.740 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.148 -21.788 8.844 1.00 0.00 N ATOM 0 H ARG A 80 29.512 -24.039 6.992 1.00 0.00 H new ATOM 0 HA ARG A 80 31.554 -23.764 5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.419 -23.812 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 80 32.050 -25.415 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.061 -24.628 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.358 -23.181 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.271 -22.067 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.492 -23.557 8.969 1.00 0.00 H new ATOM 0 HE ARG A 80 35.810 -23.342 7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.102 -21.326 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.578 -20.549 10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.701 -22.341 8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 80 37.608 -21.122 9.464 1.00 0.00 H new ATOM 1312 N VAL A 81 31.404 -25.940 3.831 1.00 0.00 N ATOM 1313 CA VAL A 81 31.495 -27.219 3.137 1.00 0.00 C ATOM 1314 C VAL A 81 32.930 -27.514 2.715 1.00 0.00 C ATOM 1315 O VAL A 81 33.639 -26.633 2.228 1.00 0.00 O ATOM 1316 CB VAL A 81 30.590 -27.247 1.891 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.655 -28.608 1.214 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.157 -26.898 2.266 1.00 0.00 C ATOM 0 H VAL A 81 31.497 -25.124 3.226 1.00 0.00 H new ATOM 0 HA VAL A 81 31.160 -27.984 3.838 1.00 0.00 H new ATOM 0 HB VAL A 81 30.950 -26.499 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.009 -28.609 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.681 -28.815 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.321 -29.377 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.531 -26.922 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.784 -27.622 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.128 -25.900 2.702 1.00 0.00 H new ATOM 1328 N ASP A 82 33.352 -28.759 2.905 1.00 0.00 N ATOM 1329 CA ASP A 82 34.703 -29.172 2.543 1.00 0.00 C ATOM 1330 C ASP A 82 34.728 -29.782 1.145 1.00 0.00 C ATOM 1331 O ASP A 82 35.357 -30.816 0.919 1.00 0.00 O ATOM 1332 CB ASP A 82 35.242 -30.178 3.561 1.00 0.00 C ATOM 1333 CG ASP A 82 35.601 -29.527 4.883 1.00 0.00 C ATOM 1334 OD1 ASP A 82 36.401 -28.568 4.874 1.00 0.00 O ATOM 1335 OD2 ASP A 82 35.082 -29.977 5.925 1.00 0.00 O ATOM 0 H ASP A 82 32.778 -29.500 3.308 1.00 0.00 H new ATOM 0 HA ASP A 82 35.340 -28.287 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 82 34.495 -30.953 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 82 36.124 -30.670 3.150 1.00 0.00 H new ATOM 1340 N ARG A 83 34.039 -29.136 0.210 1.00 0.00 N ATOM 1341 CA ARG A 83 33.981 -29.616 -1.165 1.00 0.00 C ATOM 1342 C ARG A 83 34.594 -28.598 -2.123 1.00 0.00 C ATOM 1343 O ARG A 83 35.147 -27.584 -1.696 1.00 0.00 O ATOM 1344 CB ARG A 83 32.533 -29.902 -1.567 1.00 0.00 C ATOM 1345 CG ARG A 83 32.106 -31.340 -1.322 1.00 0.00 C ATOM 1346 CD ARG A 83 30.593 -31.488 -1.371 1.00 0.00 C ATOM 1347 NE ARG A 83 30.070 -32.161 -0.185 1.00 0.00 N ATOM 1348 CZ ARG A 83 28.802 -32.086 0.204 1.00 0.00 C ATOM 1349 NH1 ARG A 83 27.932 -31.371 -0.497 1.00 0.00 N ATOM 1350 NH2 ARG A 83 28.402 -32.726 1.295 1.00 0.00 N ATOM 0 H ARG A 83 33.513 -28.279 0.380 1.00 0.00 H new ATOM 0 HA ARG A 83 34.557 -30.539 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.872 -29.236 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.405 -29.669 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.561 -31.988 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.474 -31.669 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.135 -30.503 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.313 -32.052 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 83 30.714 -32.719 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 83 28.236 -30.878 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 83 26.959 -31.315 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 83 29.068 -33.277 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 83 27.428 -32.667 1.592 1.00 0.00 H new ATOM 1364 N ARG A 84 34.492 -28.877 -3.419 1.00 0.00 N ATOM 1365 CA ARG A 84 35.038 -27.987 -4.436 1.00 0.00 C ATOM 1366 C ARG A 84 33.953 -27.071 -4.996 1.00 0.00 C ATOM 1367 O ARG A 84 32.962 -27.538 -5.560 1.00 0.00 O ATOM 1368 CB ARG A 84 35.670 -28.799 -5.568 1.00 0.00 C ATOM 1369 CG ARG A 84 36.643 -28.000 -6.421 1.00 0.00 C ATOM 1370 CD ARG A 84 37.937 -27.719 -5.674 1.00 0.00 C ATOM 1371 NE ARG A 84 38.204 -26.288 -5.560 1.00 0.00 N ATOM 1372 CZ ARG A 84 39.326 -25.787 -5.056 1.00 0.00 C ATOM 1373 NH1 ARG A 84 40.281 -26.598 -4.621 1.00 0.00 N ATOM 1374 NH2 ARG A 84 39.495 -24.473 -4.985 1.00 0.00 N ATOM 0 H ARG A 84 34.037 -29.712 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 84 35.805 -27.369 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.192 -29.655 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 84 34.879 -29.193 -6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 84 36.862 -28.549 -7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 84 36.181 -27.058 -6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.883 -28.158 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.766 -28.202 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 84 37.489 -25.637 -5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 84 40.155 -27.609 -4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 84 41.142 -26.211 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 84 38.763 -23.846 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 84 40.357 -24.090 -4.598 1.00 0.00 H new ATOM 1388 N LEU A 85 34.147 -25.767 -4.837 1.00 0.00 N ATOM 1389 CA LEU A 85 33.185 -24.785 -5.326 1.00 0.00 C ATOM 1390 C LEU A 85 31.757 -25.211 -4.997 1.00 0.00 C ATOM 1391 O LEU A 85 30.853 -25.078 -5.822 1.00 0.00 O ATOM 1392 CB LEU A 85 33.339 -24.600 -6.837 1.00 0.00 C ATOM 1393 CG LEU A 85 34.310 -23.507 -7.283 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.702 -23.770 -6.730 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.347 -23.414 -8.802 1.00 0.00 C ATOM 0 H LEU A 85 34.962 -25.365 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 85 33.386 -23.837 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.666 -25.547 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.358 -24.381 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 85 33.959 -22.554 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.379 -22.981 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.664 -23.785 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.062 -24.732 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.043 -22.631 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.673 -24.368 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.351 -23.177 -9.176 1.00 0.00 H new ATOM 1407 N VAL A 86 31.562 -25.720 -3.785 1.00 0.00 N ATOM 1408 CA VAL A 86 30.244 -26.162 -3.346 1.00 0.00 C ATOM 1409 C VAL A 86 29.858 -25.509 -2.023 1.00 0.00 C ATOM 1410 O VAL A 86 30.415 -25.830 -0.974 1.00 0.00 O ATOM 1411 CB VAL A 86 30.190 -27.693 -3.184 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.935 -28.107 -2.430 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.255 -28.374 -4.542 1.00 0.00 C ATOM 0 H VAL A 86 32.299 -25.836 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 86 29.536 -25.860 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 86 31.055 -28.010 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.915 -29.192 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.936 -27.647 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.054 -27.779 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.216 -29.455 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.410 -28.052 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.186 -28.103 -5.041 1.00 0.00 H new ATOM 1423 N TYR A 87 28.900 -24.590 -2.081 1.00 0.00 N ATOM 1424 CA TYR A 87 28.440 -23.889 -0.888 1.00 0.00 C ATOM 1425 C TYR A 87 26.997 -24.260 -0.561 1.00 0.00 C ATOM 1426 O TYR A 87 26.305 -24.884 -1.366 1.00 0.00 O ATOM 1427 CB TYR A 87 28.558 -22.376 -1.083 1.00 0.00 C ATOM 1428 CG TYR A 87 29.954 -21.919 -1.441 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.508 -22.219 -2.680 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.719 -21.187 -0.541 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.783 -21.803 -3.011 1.00 0.00 C ATOM 1432 CE2 TYR A 87 31.994 -20.766 -0.865 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.522 -21.077 -2.101 1.00 0.00 C ATOM 1434 OH TYR A 87 33.792 -20.661 -2.426 1.00 0.00 O ATOM 0 H TYR A 87 28.427 -24.313 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 87 29.072 -24.191 -0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.870 -22.065 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.244 -21.874 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.932 -22.787 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.310 -20.943 0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.199 -22.045 -3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.575 -20.196 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 87 34.175 -20.161 -1.675 1.00 0.00 H new ATOM 1444 N LYS A 88 26.549 -23.871 0.628 1.00 0.00 N ATOM 1445 CA LYS A 88 25.188 -24.160 1.065 1.00 0.00 C ATOM 1446 C LYS A 88 24.696 -23.103 2.049 1.00 0.00 C ATOM 1447 O LYS A 88 25.433 -22.681 2.941 1.00 0.00 O ATOM 1448 CB LYS A 88 25.121 -25.545 1.712 1.00 0.00 C ATOM 1449 CG LYS A 88 23.778 -25.853 2.352 1.00 0.00 C ATOM 1450 CD LYS A 88 23.942 -26.655 3.633 1.00 0.00 C ATOM 1451 CE LYS A 88 22.673 -27.419 3.978 1.00 0.00 C ATOM 1452 NZ LYS A 88 21.868 -26.718 5.016 1.00 0.00 N ATOM 0 H LYS A 88 27.109 -23.355 1.306 1.00 0.00 H new ATOM 0 HA LYS A 88 24.541 -24.144 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.336 -26.301 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 88 25.901 -25.621 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.255 -24.922 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.158 -26.410 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.770 -27.355 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.199 -25.984 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.071 -27.549 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.935 -28.416 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.779 -27.326 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.340 -25.830 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 20.922 -26.508 4.638 1.00 0.00 H new ATOM 1466 N PHE A 89 23.448 -22.680 1.881 1.00 0.00 N ATOM 1467 CA PHE A 89 22.858 -21.673 2.756 1.00 0.00 C ATOM 1468 C PHE A 89 22.510 -22.270 4.116 1.00 0.00 C ATOM 1469 O PHE A 89 21.771 -23.250 4.206 1.00 0.00 O ATOM 1470 CB PHE A 89 21.604 -21.079 2.111 1.00 0.00 C ATOM 1471 CG PHE A 89 21.871 -20.394 0.801 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.459 -19.140 0.766 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.534 -21.005 -0.396 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.704 -18.508 -0.438 1.00 0.00 C ATOM 1475 CE2 PHE A 89 21.777 -20.378 -1.604 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.364 -19.128 -1.625 1.00 0.00 C ATOM 0 H PHE A 89 22.825 -23.018 1.147 1.00 0.00 H new ATOM 0 HA PHE A 89 23.592 -20.881 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.875 -21.874 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.154 -20.365 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.729 -18.651 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.076 -21.983 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.161 -17.530 -0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.508 -20.865 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.557 -18.636 -2.567 1.00 0.00 H new ATOM 1486 N GLY A 90 23.049 -21.671 5.174 1.00 0.00 N ATOM 1487 CA GLY A 90 22.785 -22.157 6.516 1.00 0.00 C ATOM 1488 C GLY A 90 21.353 -21.913 6.949 1.00 0.00 C ATOM 1489 O GLY A 90 20.435 -21.937 6.129 1.00 0.00 O ATOM 0 H GLY A 90 23.663 -20.858 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.998 -23.225 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.462 -21.667 7.216 1.00 0.00 H new ATOM 1493 N LYS A 91 21.160 -21.679 8.243 1.00 0.00 N ATOM 1494 CA LYS A 91 19.830 -21.429 8.786 1.00 0.00 C ATOM 1495 C LYS A 91 19.544 -19.933 8.858 1.00 0.00 C ATOM 1496 O LYS A 91 18.388 -19.514 8.892 1.00 0.00 O ATOM 1497 CB LYS A 91 19.700 -22.053 10.178 1.00 0.00 C ATOM 1498 CG LYS A 91 20.586 -21.398 11.223 1.00 0.00 C ATOM 1499 CD LYS A 91 21.636 -22.363 11.748 1.00 0.00 C ATOM 1500 CE LYS A 91 21.264 -22.896 13.123 1.00 0.00 C ATOM 1501 NZ LYS A 91 21.212 -21.812 14.142 1.00 0.00 N ATOM 0 H LYS A 91 21.909 -21.657 8.935 1.00 0.00 H new ATOM 0 HA LYS A 91 19.100 -21.888 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.661 -21.986 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.947 -23.113 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.076 -20.526 10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.972 -21.042 12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.748 -23.195 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.601 -21.859 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.295 -23.392 13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 91 21.991 -23.648 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.446 -22.203 15.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.898 -21.070 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.256 -21.404 14.167 1.00 0.00 H new ATOM 1515 N ASN A 92 20.605 -19.133 8.881 1.00 0.00 N ATOM 1516 CA ASN A 92 20.466 -17.682 8.948 1.00 0.00 C ATOM 1517 C ASN A 92 19.850 -17.134 7.664 1.00 0.00 C ATOM 1518 O ASN A 92 19.151 -16.121 7.682 1.00 0.00 O ATOM 1519 CB ASN A 92 21.829 -17.030 9.192 1.00 0.00 C ATOM 1520 CG ASN A 92 22.134 -16.864 10.668 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.348 -15.751 11.148 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.156 -17.975 11.396 1.00 0.00 N ATOM 0 H ASN A 92 21.569 -19.464 8.854 1.00 0.00 H new ATOM 0 HA ASN A 92 19.802 -17.443 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.607 -17.637 8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.854 -16.054 8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.356 -17.926 12.395 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.973 -18.877 10.956 1.00 0.00 H new ATOM 1529 N ALA A 93 20.114 -17.811 6.552 1.00 0.00 N ATOM 1530 CA ALA A 93 19.584 -17.394 5.260 1.00 0.00 C ATOM 1531 C ALA A 93 18.080 -17.631 5.181 1.00 0.00 C ATOM 1532 O ALA A 93 17.596 -18.721 5.490 1.00 0.00 O ATOM 1533 CB ALA A 93 20.296 -18.131 4.134 1.00 0.00 C ATOM 0 H ALA A 93 20.692 -18.651 6.520 1.00 0.00 H new ATOM 0 HA ALA A 93 19.763 -16.324 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.890 -17.810 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.362 -17.907 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.146 -19.204 4.250 1.00 0.00 H new ATOM 1539 N HIS A 94 17.344 -16.604 4.768 1.00 0.00 N ATOM 1540 CA HIS A 94 15.894 -16.701 4.649 1.00 0.00 C ATOM 1541 C HIS A 94 15.429 -16.240 3.271 1.00 0.00 C ATOM 1542 O HIS A 94 15.737 -15.129 2.840 1.00 0.00 O ATOM 1543 CB HIS A 94 15.215 -15.865 5.735 1.00 0.00 C ATOM 1544 CG HIS A 94 15.645 -14.430 5.743 1.00 0.00 C ATOM 1545 ND1 HIS A 94 15.091 -13.474 4.919 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.582 -13.791 6.482 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.668 -12.308 5.150 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.577 -12.474 6.095 1.00 0.00 N ATOM 0 H HIS A 94 17.728 -15.695 4.510 1.00 0.00 H new ATOM 0 HA HIS A 94 15.613 -17.747 4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.135 -15.911 5.595 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.430 -16.306 6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.216 -14.235 7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.436 -11.378 4.652 1.00 0.00 H new ATOM 0 HE2 HIS A 94 17.177 -11.742 6.475 1.00 0.00 H new ATOM 1556 N GLY A 95 14.687 -17.102 2.583 1.00 0.00 N ATOM 1557 CA GLY A 95 14.193 -16.765 1.260 1.00 0.00 C ATOM 1558 C GLY A 95 14.136 -17.967 0.339 1.00 0.00 C ATOM 1559 O GLY A 95 13.163 -18.151 -0.393 1.00 0.00 O ATOM 0 H GLY A 95 14.419 -18.028 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.197 -16.330 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.836 -16.003 0.819 1.00 0.00 H new ATOM 1563 N TRP A 96 15.180 -18.786 0.373 1.00 0.00 N ATOM 1564 CA TRP A 96 15.246 -19.977 -0.467 1.00 0.00 C ATOM 1565 C TRP A 96 14.443 -21.120 0.145 1.00 0.00 C ATOM 1566 O TRP A 96 13.571 -21.694 -0.506 1.00 0.00 O ATOM 1567 CB TRP A 96 16.700 -20.407 -0.665 1.00 0.00 C ATOM 1568 CG TRP A 96 17.370 -20.839 0.604 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.108 -20.058 1.448 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.365 -22.153 1.172 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.562 -20.808 2.506 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.119 -22.096 2.361 1.00 0.00 C ATOM 1573 CE3 TRP A 96 16.795 -23.371 0.794 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.317 -23.211 3.170 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 16.993 -24.477 1.598 1.00 0.00 C ATOM 1576 CH2 TRP A 96 17.748 -24.391 2.776 1.00 0.00 C ATOM 0 H TRP A 96 15.993 -18.648 0.973 1.00 0.00 H new ATOM 0 HA TRP A 96 14.812 -19.732 -1.437 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.734 -21.227 -1.383 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.260 -19.579 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.305 -19.006 1.305 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.136 -20.462 3.275 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.210 -23.447 -0.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 18.900 -23.147 4.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 16.559 -25.424 1.314 1.00 0.00 H new ATOM 0 HH2 TRP A 96 17.883 -25.273 3.384 1.00 0.00 H new ATOM 1587 N GLN A 97 14.744 -21.443 1.399 1.00 0.00 N ATOM 1588 CA GLN A 97 14.050 -22.519 2.097 1.00 0.00 C ATOM 1589 C GLN A 97 12.538 -22.336 2.012 1.00 0.00 C ATOM 1590 O GLN A 97 12.049 -21.228 1.795 1.00 0.00 O ATOM 1591 CB GLN A 97 14.487 -22.570 3.562 1.00 0.00 C ATOM 1592 CG GLN A 97 13.551 -21.829 4.503 1.00 0.00 C ATOM 1593 CD GLN A 97 14.267 -21.264 5.713 1.00 0.00 C ATOM 1594 OE1 GLN A 97 13.829 -21.446 6.850 1.00 0.00 O ATOM 1595 NE2 GLN A 97 15.376 -20.573 5.477 1.00 0.00 N ATOM 0 H GLN A 97 15.463 -20.976 1.952 1.00 0.00 H new ATOM 0 HA GLN A 97 14.312 -23.460 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.555 -23.612 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.487 -22.145 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.065 -21.017 3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.764 -22.507 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.704 -20.446 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.900 -20.169 6.253 1.00 0.00 H new