USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 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 180:sc= 0.493 USER MOD Set 1.2: A 87 TYR OH : rot 27:sc= 0.544 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.495 K(o=-0.5,f=-6.6!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0867 X(o=-0.087,f=0) 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 135:sc= -0.95 (180deg=-1.18) USER MOD Single : A 53 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.6) USER MOD Single : A 60 MET CE :methyl 143:sc= -2.17 (180deg=-6.16!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= -1.04 (180deg=-4.12!) USER MOD Single : A 66 SER OG : rot 76:sc= 0.977 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 110:sc= 0.0347 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00132) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.0078 USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.0398 (180deg=-0.548) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.922 X(o=-0.92,f=-1.4) USER MOD Single : A 94 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.8!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.564 -10.424 -0.772 1.00 0.00 N ATOM 106 CA LEU A 11 25.999 -11.390 -1.775 1.00 0.00 C ATOM 107 C LEU A 11 25.160 -12.662 -1.706 1.00 0.00 C ATOM 108 O LEU A 11 24.545 -13.065 -2.693 1.00 0.00 O ATOM 109 CB LEU A 11 27.478 -11.729 -1.577 1.00 0.00 C ATOM 110 CG LEU A 11 27.976 -12.995 -2.275 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.994 -12.800 -3.783 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.359 -13.375 -1.768 1.00 0.00 C ATOM 0 HA LEU A 11 25.864 -10.941 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 11 28.073 -10.886 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.667 -11.829 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 11 27.290 -13.809 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.351 -13.711 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.986 -12.576 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.658 -11.973 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.697 -14.278 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.057 -12.562 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.315 -13.557 -0.694 1.00 0.00 H new ATOM 124 N TRP A 12 25.139 -13.287 -0.535 1.00 0.00 N ATOM 125 CA TRP A 12 24.373 -14.513 -0.337 1.00 0.00 C ATOM 126 C TRP A 12 23.022 -14.430 -1.038 1.00 0.00 C ATOM 127 O TRP A 12 22.561 -15.404 -1.631 1.00 0.00 O ATOM 128 CB TRP A 12 24.171 -14.776 1.156 1.00 0.00 C ATOM 129 CG TRP A 12 23.059 -13.971 1.757 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.173 -12.783 2.421 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.665 -14.296 1.749 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.934 -12.349 2.826 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.992 -13.259 2.426 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.919 -15.360 1.235 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.611 -13.259 2.601 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.548 -15.358 1.410 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.905 -14.314 2.088 1.00 0.00 C ATOM 0 H TRP A 12 25.643 -12.966 0.292 1.00 0.00 H new ATOM 0 HA TRP A 12 24.937 -15.339 -0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.965 -15.836 1.306 1.00 0.00 H new ATOM 0 HB3 TRP A 12 25.098 -14.554 1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 12 24.101 -12.261 2.601 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.746 -11.489 3.341 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.405 -16.169 0.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.114 -12.455 3.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.962 -16.176 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.832 -14.342 2.208 1.00 0.00 H new ATOM 148 N GLU A 13 22.394 -13.260 -0.967 1.00 0.00 N ATOM 149 CA GLU A 13 21.095 -13.053 -1.596 1.00 0.00 C ATOM 150 C GLU A 13 21.219 -13.064 -3.117 1.00 0.00 C ATOM 151 O GLU A 13 20.377 -13.629 -3.815 1.00 0.00 O ATOM 152 CB GLU A 13 20.485 -11.728 -1.133 1.00 0.00 C ATOM 153 CG GLU A 13 19.438 -11.888 -0.044 1.00 0.00 C ATOM 154 CD GLU A 13 18.116 -11.239 -0.406 1.00 0.00 C ATOM 155 OE1 GLU A 13 18.119 -10.042 -0.760 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.078 -11.930 -0.335 1.00 0.00 O ATOM 0 H GLU A 13 22.763 -12.443 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 13 20.440 -13.871 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.281 -11.079 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 13 20.033 -11.227 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.277 -12.949 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.812 -11.450 0.882 1.00 0.00 H new ATOM 163 N PHE A 14 22.274 -12.435 -3.623 1.00 0.00 N ATOM 164 CA PHE A 14 22.508 -12.371 -5.061 1.00 0.00 C ATOM 165 C PHE A 14 22.714 -13.767 -5.642 1.00 0.00 C ATOM 166 O PHE A 14 21.979 -14.196 -6.532 1.00 0.00 O ATOM 167 CB PHE A 14 23.728 -11.497 -5.362 1.00 0.00 C ATOM 168 CG PHE A 14 24.428 -11.864 -6.639 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.446 -12.804 -6.640 1.00 0.00 C ATOM 170 CD2 PHE A 14 24.070 -11.269 -7.837 1.00 0.00 C ATOM 171 CE1 PHE A 14 26.093 -13.145 -7.813 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.712 -11.606 -9.014 1.00 0.00 C ATOM 173 CZ PHE A 14 25.726 -12.545 -9.001 1.00 0.00 C ATOM 0 H PHE A 14 22.980 -11.962 -3.059 1.00 0.00 H new ATOM 0 HA PHE A 14 21.628 -11.929 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.414 -10.455 -5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.434 -11.575 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.737 -13.276 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.280 -10.533 -7.852 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.884 -13.880 -7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.422 -11.136 -9.942 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.230 -12.809 -9.919 1.00 0.00 H new ATOM 183 N VAL A 15 23.719 -14.472 -5.131 1.00 0.00 N ATOM 184 CA VAL A 15 24.022 -15.819 -5.597 1.00 0.00 C ATOM 185 C VAL A 15 22.847 -16.761 -5.356 1.00 0.00 C ATOM 186 O VAL A 15 22.701 -17.775 -6.039 1.00 0.00 O ATOM 187 CB VAL A 15 25.272 -16.387 -4.900 1.00 0.00 C ATOM 188 CG1 VAL A 15 25.193 -16.164 -3.397 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.436 -17.865 -5.220 1.00 0.00 C ATOM 0 H VAL A 15 24.337 -14.132 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 15 24.214 -15.747 -6.668 1.00 0.00 H new ATOM 0 HB VAL A 15 26.148 -15.858 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 15 26.085 -16.572 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.128 -15.096 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.309 -16.664 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.324 -18.249 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.559 -18.412 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.542 -17.994 -6.297 1.00 0.00 H new ATOM 199 N ARG A 16 22.012 -16.419 -4.381 1.00 0.00 N ATOM 200 CA ARG A 16 20.850 -17.235 -4.048 1.00 0.00 C ATOM 201 C ARG A 16 19.728 -17.020 -5.060 1.00 0.00 C ATOM 202 O ARG A 16 19.068 -17.970 -5.480 1.00 0.00 O ATOM 203 CB ARG A 16 20.353 -16.902 -2.640 1.00 0.00 C ATOM 204 CG ARG A 16 19.073 -17.628 -2.259 1.00 0.00 C ATOM 205 CD ARG A 16 18.004 -16.657 -1.780 1.00 0.00 C ATOM 206 NE ARG A 16 17.675 -15.660 -2.795 1.00 0.00 N ATOM 207 CZ ARG A 16 16.705 -14.764 -2.658 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.972 -14.739 -1.553 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.466 -13.888 -3.626 1.00 0.00 N ATOM 0 H ARG A 16 22.118 -15.582 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 16 21.150 -18.282 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.132 -17.154 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.187 -15.827 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.701 -18.186 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.285 -18.354 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.105 -17.212 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.350 -16.154 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 16 18.221 -15.652 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.153 -15.409 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.227 -14.049 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.028 -13.902 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.720 -13.200 -3.519 1.00 0.00 H new ATOM 223 N ASP A 17 19.518 -15.766 -5.445 1.00 0.00 N ATOM 224 CA ASP A 17 18.476 -15.426 -6.407 1.00 0.00 C ATOM 225 C ASP A 17 18.659 -16.207 -7.705 1.00 0.00 C ATOM 226 O ASP A 17 17.708 -16.782 -8.236 1.00 0.00 O ATOM 227 CB ASP A 17 18.488 -13.924 -6.695 1.00 0.00 C ATOM 228 CG ASP A 17 17.420 -13.517 -7.690 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.249 -13.376 -7.278 1.00 0.00 O ATOM 230 OD2 ASP A 17 17.753 -13.340 -8.881 1.00 0.00 O ATOM 0 H ASP A 17 20.055 -14.968 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 17 17.513 -15.697 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.340 -13.377 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.467 -13.639 -7.080 1.00 0.00 H new ATOM 235 N LEU A 18 19.887 -16.223 -8.211 1.00 0.00 N ATOM 236 CA LEU A 18 20.196 -16.933 -9.447 1.00 0.00 C ATOM 237 C LEU A 18 19.630 -18.349 -9.418 1.00 0.00 C ATOM 238 O LEU A 18 19.030 -18.810 -10.390 1.00 0.00 O ATOM 239 CB LEU A 18 21.709 -16.981 -9.667 1.00 0.00 C ATOM 240 CG LEU A 18 22.301 -15.849 -10.509 1.00 0.00 C ATOM 241 CD1 LEU A 18 22.163 -14.518 -9.785 1.00 0.00 C ATOM 242 CD2 LEU A 18 23.760 -16.133 -10.834 1.00 0.00 C ATOM 0 H LEU A 18 20.685 -15.752 -7.784 1.00 0.00 H new ATOM 0 HA LEU A 18 19.732 -16.393 -10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.198 -16.976 -8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.957 -17.929 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 18 21.746 -15.789 -11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.589 -13.724 -10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.108 -14.310 -9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.692 -14.565 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 18 24.165 -15.317 -11.433 1.00 0.00 H new ATOM 0 HD22 LEU A 18 24.329 -16.220 -9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.833 -17.066 -11.394 1.00 0.00 H new ATOM 254 N LEU A 19 19.822 -19.035 -8.296 1.00 0.00 N ATOM 255 CA LEU A 19 19.329 -20.398 -8.139 1.00 0.00 C ATOM 256 C LEU A 19 17.808 -20.442 -8.236 1.00 0.00 C ATOM 257 O LEU A 19 17.235 -21.399 -8.758 1.00 0.00 O ATOM 258 CB LEU A 19 19.783 -20.974 -6.796 1.00 0.00 C ATOM 259 CG LEU A 19 21.249 -21.398 -6.708 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.738 -21.335 -5.270 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.433 -22.799 -7.275 1.00 0.00 C ATOM 0 H LEU A 19 20.316 -18.669 -7.482 1.00 0.00 H new ATOM 0 HA LEU A 19 19.743 -21.003 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.594 -20.230 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.161 -21.839 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 19 21.844 -20.705 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.783 -21.640 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.642 -20.315 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.139 -22.004 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.482 -23.085 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.826 -23.504 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.123 -22.812 -8.320 1.00 0.00 H new ATOM 273 N LEU A 20 17.158 -19.398 -7.732 1.00 0.00 N ATOM 274 CA LEU A 20 15.702 -19.315 -7.763 1.00 0.00 C ATOM 275 C LEU A 20 15.228 -18.513 -8.971 1.00 0.00 C ATOM 276 O LEU A 20 14.028 -18.381 -9.209 1.00 0.00 O ATOM 277 CB LEU A 20 15.180 -18.677 -6.475 1.00 0.00 C ATOM 278 CG LEU A 20 15.843 -19.142 -5.178 1.00 0.00 C ATOM 279 CD1 LEU A 20 15.153 -18.522 -3.973 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.822 -20.661 -5.084 1.00 0.00 C ATOM 0 H LEU A 20 17.617 -18.597 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 20 15.307 -20.327 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.301 -17.597 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.110 -18.874 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 20 16.882 -18.812 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.639 -18.865 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.220 -17.436 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.105 -18.821 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.298 -20.975 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.790 -21.012 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.363 -21.085 -5.930 1.00 0.00 H new ATOM 292 N SER A 21 16.179 -17.980 -9.731 1.00 0.00 N ATOM 293 CA SER A 21 15.860 -17.189 -10.913 1.00 0.00 C ATOM 294 C SER A 21 16.565 -17.745 -12.146 1.00 0.00 C ATOM 295 O SER A 21 17.637 -17.287 -12.540 1.00 0.00 O ATOM 296 CB SER A 21 16.260 -15.728 -10.699 1.00 0.00 C ATOM 297 OG SER A 21 15.228 -15.006 -10.049 1.00 0.00 O ATOM 0 H SER A 21 17.177 -18.082 -9.549 1.00 0.00 H new ATOM 0 HA SER A 21 14.784 -17.244 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.172 -15.681 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.483 -15.264 -11.660 1.00 0.00 H new ATOM 0 HG SER A 21 15.509 -14.076 -9.923 1.00 0.00 H new ATOM 303 N PRO A 22 15.948 -18.759 -12.772 1.00 0.00 N ATOM 304 CA PRO A 22 16.498 -19.401 -13.970 1.00 0.00 C ATOM 305 C PRO A 22 16.448 -18.489 -15.191 1.00 0.00 C ATOM 306 O PRO A 22 16.941 -18.844 -16.261 1.00 0.00 O ATOM 307 CB PRO A 22 15.586 -20.615 -14.171 1.00 0.00 C ATOM 308 CG PRO A 22 14.300 -20.235 -13.522 1.00 0.00 C ATOM 309 CD PRO A 22 14.668 -19.357 -12.358 1.00 0.00 C ATOM 0 HA PRO A 22 17.551 -19.656 -13.849 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.446 -20.834 -15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.011 -21.509 -13.714 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.652 -19.706 -14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.755 -21.118 -13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.910 -18.596 -12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.772 -19.932 -11.438 1.00 0.00 H new ATOM 317 N GLU A 23 15.851 -17.314 -15.022 1.00 0.00 N ATOM 318 CA GLU A 23 15.738 -16.351 -16.111 1.00 0.00 C ATOM 319 C GLU A 23 16.988 -15.481 -16.201 1.00 0.00 C ATOM 320 O GLU A 23 17.329 -14.977 -17.270 1.00 0.00 O ATOM 321 CB GLU A 23 14.503 -15.469 -15.916 1.00 0.00 C ATOM 322 CG GLU A 23 13.283 -15.951 -16.685 1.00 0.00 C ATOM 323 CD GLU A 23 12.095 -15.022 -16.535 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.647 -14.811 -15.388 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.613 -14.505 -17.565 1.00 0.00 O ATOM 0 H GLU A 23 15.438 -17.006 -14.142 1.00 0.00 H new ATOM 0 HA GLU A 23 15.635 -16.907 -17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.260 -15.428 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.740 -14.452 -16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.537 -16.043 -17.741 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.008 -16.946 -16.336 1.00 0.00 H new ATOM 332 N GLU A 24 17.666 -15.311 -15.070 1.00 0.00 N ATOM 333 CA GLU A 24 18.878 -14.501 -15.021 1.00 0.00 C ATOM 334 C GLU A 24 20.121 -15.385 -14.976 1.00 0.00 C ATOM 335 O GLU A 24 21.082 -15.160 -15.710 1.00 0.00 O ATOM 336 CB GLU A 24 18.850 -13.576 -13.803 1.00 0.00 C ATOM 337 CG GLU A 24 18.395 -12.162 -14.122 1.00 0.00 C ATOM 338 CD GLU A 24 19.501 -11.139 -13.945 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.182 -11.177 -12.899 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.684 -10.301 -14.852 1.00 0.00 O ATOM 0 H GLU A 24 17.397 -15.723 -14.176 1.00 0.00 H new ATOM 0 HA GLU A 24 18.918 -13.895 -15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.186 -14.001 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.847 -13.537 -13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.031 -12.124 -15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.556 -11.900 -13.477 1.00 0.00 H new ATOM 347 N ASN A 25 20.094 -16.390 -14.106 1.00 0.00 N ATOM 348 CA ASN A 25 21.219 -17.306 -13.963 1.00 0.00 C ATOM 349 C ASN A 25 21.456 -18.084 -15.254 1.00 0.00 C ATOM 350 O ASN A 25 20.553 -18.749 -15.764 1.00 0.00 O ATOM 351 CB ASN A 25 20.968 -18.278 -12.808 1.00 0.00 C ATOM 352 CG ASN A 25 22.098 -19.274 -12.634 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.238 -19.009 -13.015 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.786 -20.428 -12.055 1.00 0.00 N ATOM 0 H ASN A 25 19.306 -16.590 -13.490 1.00 0.00 H new ATOM 0 HA ASN A 25 22.110 -16.716 -13.747 1.00 0.00 H new ATOM 0 HB2 ASN A 25 20.839 -17.714 -11.884 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.037 -18.816 -12.986 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.505 -21.137 -11.911 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.827 -20.605 -11.755 1.00 0.00 H new ATOM 361 N CYS A 26 22.673 -17.995 -15.777 1.00 0.00 N ATOM 362 CA CYS A 26 23.029 -18.689 -17.009 1.00 0.00 C ATOM 363 C CYS A 26 24.085 -19.758 -16.745 1.00 0.00 C ATOM 364 O CYS A 26 25.284 -19.496 -16.830 1.00 0.00 O ATOM 365 CB CYS A 26 23.543 -17.694 -18.050 1.00 0.00 C ATOM 366 SG CYS A 26 22.654 -17.747 -19.624 1.00 0.00 S ATOM 0 H CYS A 26 23.431 -17.449 -15.367 1.00 0.00 H new ATOM 0 HA CYS A 26 22.133 -19.176 -17.394 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.473 -16.687 -17.639 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.599 -17.891 -18.235 1.00 0.00 H new ATOM 0 HG CYS A 26 23.160 -16.869 -20.438 1.00 0.00 H new ATOM 372 N GLY A 27 23.630 -20.965 -16.424 1.00 0.00 N ATOM 373 CA GLY A 27 24.548 -22.056 -16.150 1.00 0.00 C ATOM 374 C GLY A 27 25.708 -21.630 -15.272 1.00 0.00 C ATOM 375 O GLY A 27 26.836 -22.088 -15.458 1.00 0.00 O ATOM 0 H GLY A 27 22.642 -21.207 -16.349 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.008 -22.868 -15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 27 24.933 -22.448 -17.091 1.00 0.00 H new ATOM 379 N ILE A 28 25.431 -20.752 -14.314 1.00 0.00 N ATOM 380 CA ILE A 28 26.461 -20.265 -13.404 1.00 0.00 C ATOM 381 C ILE A 28 26.490 -21.083 -12.118 1.00 0.00 C ATOM 382 O ILE A 28 27.544 -21.264 -11.508 1.00 0.00 O ATOM 383 CB ILE A 28 26.245 -18.782 -13.052 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.859 -17.988 -14.302 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.498 -18.200 -12.415 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.403 -16.577 -14.005 1.00 0.00 C ATOM 0 H ILE A 28 24.503 -20.363 -14.148 1.00 0.00 H new ATOM 0 HA ILE A 28 27.415 -20.372 -13.921 1.00 0.00 H new ATOM 0 HB ILE A 28 25.429 -18.711 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.714 -17.950 -14.977 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.062 -18.516 -14.826 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.329 -17.151 -12.172 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.732 -18.750 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.332 -18.281 -13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.146 -16.074 -14.937 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.528 -16.606 -13.355 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.206 -16.032 -13.508 1.00 0.00 H new ATOM 398 N LEU A 29 25.326 -21.577 -11.711 1.00 0.00 N ATOM 399 CA LEU A 29 25.217 -22.378 -10.497 1.00 0.00 C ATOM 400 C LEU A 29 24.380 -23.629 -10.744 1.00 0.00 C ATOM 401 O LEU A 29 23.755 -23.772 -11.795 1.00 0.00 O ATOM 402 CB LEU A 29 24.597 -21.551 -9.370 1.00 0.00 C ATOM 403 CG LEU A 29 25.185 -20.154 -9.162 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.078 -19.142 -8.908 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.179 -20.161 -8.010 1.00 0.00 C ATOM 0 H LEU A 29 24.444 -21.437 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 29 26.221 -22.686 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.530 -21.449 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.698 -22.109 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 29 25.713 -19.863 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.515 -18.154 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.404 -19.118 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.521 -19.428 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.588 -19.159 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.674 -20.472 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.988 -20.856 -8.232 1.00 0.00 H new ATOM 417 N GLU A 30 24.371 -24.532 -9.768 1.00 0.00 N ATOM 418 CA GLU A 30 23.609 -25.770 -9.880 1.00 0.00 C ATOM 419 C GLU A 30 23.044 -26.186 -8.524 1.00 0.00 C ATOM 420 O GLU A 30 23.673 -25.974 -7.487 1.00 0.00 O ATOM 421 CB GLU A 30 24.489 -26.887 -10.442 1.00 0.00 C ATOM 422 CG GLU A 30 24.331 -27.091 -11.940 1.00 0.00 C ATOM 423 CD GLU A 30 24.078 -28.540 -12.308 1.00 0.00 C ATOM 424 OE1 GLU A 30 23.356 -29.227 -11.556 1.00 0.00 O ATOM 425 OE2 GLU A 30 24.604 -28.988 -13.349 1.00 0.00 O ATOM 0 H GLU A 30 24.883 -24.429 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 30 22.777 -25.594 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.533 -26.661 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.250 -27.819 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.505 -26.479 -12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.231 -26.743 -12.447 1.00 0.00 H new ATOM 432 N TRP A 31 21.856 -26.778 -8.541 1.00 0.00 N ATOM 433 CA TRP A 31 21.206 -27.223 -7.314 1.00 0.00 C ATOM 434 C TRP A 31 21.597 -28.659 -6.981 1.00 0.00 C ATOM 435 O TRP A 31 21.111 -29.603 -7.602 1.00 0.00 O ATOM 436 CB TRP A 31 19.686 -27.113 -7.448 1.00 0.00 C ATOM 437 CG TRP A 31 19.138 -25.811 -6.948 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.312 -24.957 -7.621 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.380 -25.214 -5.670 1.00 0.00 C ATOM 440 NE1 TRP A 31 18.025 -23.865 -6.838 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.668 -23.999 -5.636 1.00 0.00 C ATOM 442 CE3 TRP A 31 20.128 -25.588 -4.550 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.683 -23.159 -4.526 1.00 0.00 C ATOM 444 CZ3 TRP A 31 20.142 -24.752 -3.449 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.423 -23.549 -3.443 1.00 0.00 C ATOM 0 H TRP A 31 21.323 -26.961 -9.391 1.00 0.00 H new ATOM 0 HA TRP A 31 21.539 -26.578 -6.501 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.411 -27.236 -8.496 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.220 -27.930 -6.898 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.939 -25.116 -8.622 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.430 -23.082 -7.108 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.685 -26.513 -4.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 18.130 -22.232 -4.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.717 -25.031 -2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 31 19.454 -22.918 -2.567 1.00 0.00 H new ATOM 456 N GLU A 32 22.477 -28.815 -5.997 1.00 0.00 N ATOM 457 CA GLU A 32 22.933 -30.137 -5.583 1.00 0.00 C ATOM 458 C GLU A 32 21.922 -30.792 -4.646 1.00 0.00 C ATOM 459 O GLU A 32 21.682 -31.997 -4.719 1.00 0.00 O ATOM 460 CB GLU A 32 24.295 -30.039 -4.895 1.00 0.00 C ATOM 461 CG GLU A 32 25.451 -29.825 -5.858 1.00 0.00 C ATOM 462 CD GLU A 32 26.565 -30.836 -5.667 1.00 0.00 C ATOM 463 OE1 GLU A 32 27.339 -30.689 -4.698 1.00 0.00 O ATOM 464 OE2 GLU A 32 26.662 -31.774 -6.486 1.00 0.00 O ATOM 0 H GLU A 32 22.888 -28.043 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 32 23.029 -30.756 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.273 -29.217 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.472 -30.952 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.082 -29.886 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.851 -28.820 -5.722 1.00 0.00 H new ATOM 471 N ASP A 33 21.335 -29.989 -3.765 1.00 0.00 N ATOM 472 CA ASP A 33 20.350 -30.489 -2.813 1.00 0.00 C ATOM 473 C ASP A 33 19.378 -29.386 -2.407 1.00 0.00 C ATOM 474 O ASP A 33 19.719 -28.502 -1.621 1.00 0.00 O ATOM 475 CB ASP A 33 21.048 -31.051 -1.573 1.00 0.00 C ATOM 476 CG ASP A 33 20.696 -32.504 -1.320 1.00 0.00 C ATOM 477 OD1 ASP A 33 20.959 -33.341 -2.208 1.00 0.00 O ATOM 478 OD2 ASP A 33 20.156 -32.803 -0.234 1.00 0.00 O ATOM 0 H ASP A 33 21.524 -28.989 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 33 19.786 -31.286 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 33 22.127 -30.957 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.771 -30.456 -0.703 1.00 0.00 H new ATOM 483 N ARG A 34 18.166 -29.443 -2.950 1.00 0.00 N ATOM 484 CA ARG A 34 17.145 -28.448 -2.647 1.00 0.00 C ATOM 485 C ARG A 34 16.682 -28.568 -1.198 1.00 0.00 C ATOM 486 O ARG A 34 16.209 -27.598 -0.606 1.00 0.00 O ATOM 487 CB ARG A 34 15.951 -28.608 -3.590 1.00 0.00 C ATOM 488 CG ARG A 34 16.274 -28.292 -5.041 1.00 0.00 C ATOM 489 CD ARG A 34 16.287 -26.792 -5.295 1.00 0.00 C ATOM 490 NE ARG A 34 15.345 -26.407 -6.343 1.00 0.00 N ATOM 491 CZ ARG A 34 14.959 -25.154 -6.559 1.00 0.00 C ATOM 492 NH1 ARG A 34 15.431 -24.172 -5.804 1.00 0.00 N ATOM 493 NH2 ARG A 34 14.099 -24.883 -7.532 1.00 0.00 N ATOM 0 H ARG A 34 17.868 -30.168 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 34 17.582 -27.460 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.581 -29.631 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.145 -27.955 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.245 -28.714 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.538 -28.766 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.039 -26.266 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.292 -26.481 -5.579 1.00 0.00 H new ATOM 0 HE ARG A 34 14.963 -27.140 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.092 -24.377 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.133 -23.211 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.734 -25.637 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.803 -23.921 -7.698 1.00 0.00 H new ATOM 507 N GLU A 35 16.822 -29.764 -0.634 1.00 0.00 N ATOM 508 CA GLU A 35 16.417 -30.009 0.745 1.00 0.00 C ATOM 509 C GLU A 35 17.368 -29.324 1.722 1.00 0.00 C ATOM 510 O GLU A 35 16.937 -28.599 2.617 1.00 0.00 O ATOM 511 CB GLU A 35 16.374 -31.513 1.027 1.00 0.00 C ATOM 512 CG GLU A 35 17.720 -32.200 0.869 1.00 0.00 C ATOM 513 CD GLU A 35 17.602 -33.712 0.832 1.00 0.00 C ATOM 514 OE1 GLU A 35 16.624 -34.217 0.244 1.00 0.00 O ATOM 515 OE2 GLU A 35 18.489 -34.389 1.393 1.00 0.00 O ATOM 0 H GLU A 35 17.212 -30.577 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 35 15.420 -29.591 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.010 -31.674 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.656 -31.980 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.195 -31.854 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 18.371 -31.910 1.694 1.00 0.00 H new ATOM 522 N GLN A 36 18.663 -29.561 1.542 1.00 0.00 N ATOM 523 CA GLN A 36 19.675 -28.969 2.408 1.00 0.00 C ATOM 524 C GLN A 36 20.123 -27.612 1.873 1.00 0.00 C ATOM 525 O GLN A 36 20.729 -26.819 2.592 1.00 0.00 O ATOM 526 CB GLN A 36 20.880 -29.903 2.534 1.00 0.00 C ATOM 527 CG GLN A 36 20.507 -31.331 2.900 1.00 0.00 C ATOM 528 CD GLN A 36 21.555 -32.005 3.762 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.142 -33.015 3.370 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.797 -31.450 4.944 1.00 0.00 N ATOM 0 H GLN A 36 19.036 -30.159 0.804 1.00 0.00 H new ATOM 0 HA GLN A 36 19.233 -28.823 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.425 -29.909 1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.558 -29.508 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.554 -31.329 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.365 -31.910 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 36 21.287 -30.613 5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.492 -31.860 5.567 1.00 0.00 H new ATOM 539 N GLY A 37 19.820 -27.352 0.605 1.00 0.00 N ATOM 540 CA GLY A 37 20.199 -26.091 -0.005 1.00 0.00 C ATOM 541 C GLY A 37 21.608 -26.118 -0.563 1.00 0.00 C ATOM 542 O GLY A 37 22.297 -25.097 -0.576 1.00 0.00 O ATOM 0 H GLY A 37 19.319 -27.992 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.499 -25.853 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 37 20.120 -25.295 0.735 1.00 0.00 H new ATOM 546 N ILE A 38 22.038 -27.287 -1.024 1.00 0.00 N ATOM 547 CA ILE A 38 23.375 -27.442 -1.586 1.00 0.00 C ATOM 548 C ILE A 38 23.435 -26.912 -3.014 1.00 0.00 C ATOM 549 O ILE A 38 22.633 -27.297 -3.865 1.00 0.00 O ATOM 550 CB ILE A 38 23.822 -28.915 -1.577 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.426 -29.583 -0.259 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.324 -29.014 -1.796 1.00 0.00 C ATOM 553 CD1 ILE A 38 24.191 -29.062 0.937 1.00 0.00 C ATOM 0 H ILE A 38 21.481 -28.141 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 38 24.051 -26.863 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 38 23.320 -29.436 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 38 22.359 -29.433 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.587 -30.658 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.625 -30.062 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.581 -28.571 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.844 -28.481 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.858 -29.581 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 38 25.257 -29.236 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.010 -27.993 1.047 1.00 0.00 H new ATOM 565 N PHE A 39 24.394 -26.028 -3.272 1.00 0.00 N ATOM 566 CA PHE A 39 24.560 -25.446 -4.598 1.00 0.00 C ATOM 567 C PHE A 39 26.036 -25.377 -4.980 1.00 0.00 C ATOM 568 O PHE A 39 26.901 -25.184 -4.126 1.00 0.00 O ATOM 569 CB PHE A 39 23.943 -24.047 -4.646 1.00 0.00 C ATOM 570 CG PHE A 39 24.596 -23.072 -3.707 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.199 -22.993 -2.382 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.607 -22.234 -4.151 1.00 0.00 C ATOM 573 CE1 PHE A 39 24.797 -22.098 -1.516 1.00 0.00 C ATOM 574 CE2 PHE A 39 26.209 -21.337 -3.289 1.00 0.00 C ATOM 575 CZ PHE A 39 25.803 -21.268 -1.971 1.00 0.00 C ATOM 0 H PHE A 39 25.067 -25.700 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 39 24.046 -26.086 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.013 -23.662 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.882 -24.118 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.412 -23.639 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.928 -22.283 -5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.479 -22.047 -0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.997 -20.690 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.271 -20.566 -1.297 1.00 0.00 H new ATOM 585 N ARG A 40 26.315 -25.537 -6.270 1.00 0.00 N ATOM 586 CA ARG A 40 27.686 -25.494 -6.766 1.00 0.00 C ATOM 587 C ARG A 40 27.887 -24.311 -7.708 1.00 0.00 C ATOM 588 O ARG A 40 26.962 -23.894 -8.405 1.00 0.00 O ATOM 589 CB ARG A 40 28.030 -26.798 -7.487 1.00 0.00 C ATOM 590 CG ARG A 40 29.334 -26.738 -8.265 1.00 0.00 C ATOM 591 CD ARG A 40 29.405 -27.830 -9.321 1.00 0.00 C ATOM 592 NE ARG A 40 29.985 -27.346 -10.571 1.00 0.00 N ATOM 593 CZ ARG A 40 30.358 -28.145 -11.565 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.213 -29.458 -11.456 1.00 0.00 N ATOM 595 NH2 ARG A 40 30.878 -27.629 -12.672 1.00 0.00 N ATOM 0 H ARG A 40 25.611 -25.697 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 40 28.352 -25.372 -5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.090 -27.603 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.220 -27.050 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.429 -25.763 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.174 -26.840 -7.578 1.00 0.00 H new ATOM 0 HD2 ARG A 40 30.000 -28.661 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.403 -28.216 -9.512 1.00 0.00 H new ATOM 0 HE ARG A 40 30.110 -26.340 -10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.814 -29.858 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.500 -30.068 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.991 -26.619 -12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.164 -28.242 -13.435 1.00 0.00 H new ATOM 609 N VAL A 41 29.102 -23.772 -7.722 1.00 0.00 N ATOM 610 CA VAL A 41 29.425 -22.637 -8.579 1.00 0.00 C ATOM 611 C VAL A 41 30.074 -23.098 -9.879 1.00 0.00 C ATOM 612 O VAL A 41 31.294 -23.047 -10.029 1.00 0.00 O ATOM 613 CB VAL A 41 30.370 -21.650 -7.868 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.728 -20.495 -8.792 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.737 -21.138 -6.583 1.00 0.00 C ATOM 0 H VAL A 41 29.879 -24.103 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 41 28.486 -22.132 -8.805 1.00 0.00 H new ATOM 0 HB VAL A 41 31.289 -22.176 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.396 -19.808 -8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.225 -20.882 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.820 -19.967 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.418 -20.442 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.803 -20.628 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.536 -21.977 -5.917 1.00 0.00 H new ATOM 625 N VAL A 42 29.248 -23.546 -10.819 1.00 0.00 N ATOM 626 CA VAL A 42 29.740 -24.014 -12.110 1.00 0.00 C ATOM 627 C VAL A 42 30.697 -23.004 -12.732 1.00 0.00 C ATOM 628 O VAL A 42 31.814 -23.347 -13.121 1.00 0.00 O ATOM 629 CB VAL A 42 28.582 -24.279 -13.090 1.00 0.00 C ATOM 630 CG1 VAL A 42 29.115 -24.774 -14.426 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.599 -25.277 -12.496 1.00 0.00 C ATOM 0 H VAL A 42 28.235 -23.595 -10.711 1.00 0.00 H new ATOM 0 HA VAL A 42 30.271 -24.948 -11.926 1.00 0.00 H new ATOM 0 HB VAL A 42 28.053 -23.341 -13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.282 -24.956 -15.105 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.776 -24.021 -14.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.669 -25.700 -14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.787 -25.452 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 42 28.113 -26.217 -12.293 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.192 -24.878 -11.567 1.00 0.00 H new ATOM 641 N LYS A 43 30.253 -21.755 -12.823 1.00 0.00 N ATOM 642 CA LYS A 43 31.070 -20.692 -13.396 1.00 0.00 C ATOM 643 C LYS A 43 31.517 -19.708 -12.320 1.00 0.00 C ATOM 644 O LYS A 43 30.820 -18.738 -12.023 1.00 0.00 O ATOM 645 CB LYS A 43 30.289 -19.952 -14.485 1.00 0.00 C ATOM 646 CG LYS A 43 30.013 -20.797 -15.717 1.00 0.00 C ATOM 647 CD LYS A 43 29.020 -20.121 -16.646 1.00 0.00 C ATOM 648 CE LYS A 43 28.644 -21.023 -17.812 1.00 0.00 C ATOM 649 NZ LYS A 43 29.447 -20.719 -19.029 1.00 0.00 N ATOM 0 H LYS A 43 29.331 -21.454 -12.507 1.00 0.00 H new ATOM 0 HA LYS A 43 31.956 -21.148 -13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.341 -19.608 -14.071 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.848 -19.064 -14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.946 -20.979 -16.251 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.625 -21.769 -15.413 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.123 -19.853 -16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.449 -19.193 -17.026 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.794 -22.065 -17.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.584 -20.903 -18.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.161 -21.355 -19.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.284 -19.732 -19.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.457 -20.858 -18.822 1.00 0.00 H new ATOM 663 N SER A 44 32.685 -19.965 -11.739 1.00 0.00 N ATOM 664 CA SER A 44 33.224 -19.103 -10.693 1.00 0.00 C ATOM 665 C SER A 44 33.599 -17.735 -11.256 1.00 0.00 C ATOM 666 O SER A 44 33.604 -16.737 -10.537 1.00 0.00 O ATOM 667 CB SER A 44 34.448 -19.754 -10.047 1.00 0.00 C ATOM 668 OG SER A 44 35.589 -19.633 -10.878 1.00 0.00 O ATOM 0 H SER A 44 33.276 -20.762 -11.975 1.00 0.00 H new ATOM 0 HA SER A 44 32.452 -18.966 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.646 -19.286 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.244 -20.807 -9.855 1.00 0.00 H new ATOM 0 HG SER A 44 36.358 -20.056 -10.441 1.00 0.00 H new ATOM 674 N GLU A 45 33.913 -17.700 -12.547 1.00 0.00 N ATOM 675 CA GLU A 45 34.290 -16.455 -13.207 1.00 0.00 C ATOM 676 C GLU A 45 33.062 -15.596 -13.491 1.00 0.00 C ATOM 677 O GLU A 45 33.105 -14.372 -13.368 1.00 0.00 O ATOM 678 CB GLU A 45 35.034 -16.749 -14.511 1.00 0.00 C ATOM 679 CG GLU A 45 34.215 -17.544 -15.514 1.00 0.00 C ATOM 680 CD GLU A 45 35.078 -18.320 -16.488 1.00 0.00 C ATOM 681 OE1 GLU A 45 36.102 -18.887 -16.051 1.00 0.00 O ATOM 682 OE2 GLU A 45 34.732 -18.362 -17.687 1.00 0.00 O ATOM 0 H GLU A 45 33.914 -18.518 -13.156 1.00 0.00 H new ATOM 0 HA GLU A 45 34.950 -15.904 -12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.336 -15.806 -14.967 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.947 -17.299 -14.282 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.565 -18.236 -14.979 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.568 -16.864 -16.069 1.00 0.00 H new ATOM 689 N ALA A 46 31.968 -16.247 -13.874 1.00 0.00 N ATOM 690 CA ALA A 46 30.727 -15.544 -14.175 1.00 0.00 C ATOM 691 C ALA A 46 29.996 -15.148 -12.896 1.00 0.00 C ATOM 692 O ALA A 46 29.286 -14.142 -12.860 1.00 0.00 O ATOM 693 CB ALA A 46 29.831 -16.406 -15.052 1.00 0.00 C ATOM 0 H ALA A 46 31.916 -17.260 -13.983 1.00 0.00 H new ATOM 0 HA ALA A 46 30.978 -14.632 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.908 -15.868 -15.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.346 -16.634 -15.985 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.596 -17.334 -14.531 1.00 0.00 H new ATOM 699 N LEU A 47 30.173 -15.945 -11.848 1.00 0.00 N ATOM 700 CA LEU A 47 29.530 -15.678 -10.566 1.00 0.00 C ATOM 701 C LEU A 47 29.993 -14.344 -9.992 1.00 0.00 C ATOM 702 O LEU A 47 29.186 -13.553 -9.503 1.00 0.00 O ATOM 703 CB LEU A 47 29.833 -16.805 -9.577 1.00 0.00 C ATOM 704 CG LEU A 47 29.616 -16.477 -8.099 1.00 0.00 C ATOM 705 CD1 LEU A 47 28.141 -16.239 -7.817 1.00 0.00 C ATOM 706 CD2 LEU A 47 30.155 -17.596 -7.220 1.00 0.00 C ATOM 0 H LEU A 47 30.756 -16.782 -11.861 1.00 0.00 H new ATOM 0 HA LEU A 47 28.454 -15.627 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.212 -17.663 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.870 -17.111 -9.712 1.00 0.00 H new ATOM 0 HG LEU A 47 30.162 -15.563 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 47 28.005 -16.007 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.785 -15.404 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.573 -17.135 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.992 -17.346 -6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.637 -18.526 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 47 31.223 -17.719 -7.402 1.00 0.00 H new ATOM 718 N ALA A 48 31.298 -14.099 -10.056 1.00 0.00 N ATOM 719 CA ALA A 48 31.868 -12.858 -9.546 1.00 0.00 C ATOM 720 C ALA A 48 31.561 -11.689 -10.477 1.00 0.00 C ATOM 721 O ALA A 48 31.155 -10.616 -10.030 1.00 0.00 O ATOM 722 CB ALA A 48 33.371 -13.005 -9.359 1.00 0.00 C ATOM 0 H ALA A 48 31.980 -14.743 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 48 31.411 -12.648 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.783 -12.071 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.573 -13.807 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.835 -13.243 -10.316 1.00 0.00 H new ATOM 728 N LYS A 49 31.757 -11.904 -11.773 1.00 0.00 N ATOM 729 CA LYS A 49 31.501 -10.869 -12.768 1.00 0.00 C ATOM 730 C LYS A 49 30.106 -10.278 -12.591 1.00 0.00 C ATOM 731 O LYS A 49 29.933 -9.060 -12.600 1.00 0.00 O ATOM 732 CB LYS A 49 31.648 -11.443 -14.179 1.00 0.00 C ATOM 733 CG LYS A 49 32.838 -10.885 -14.941 1.00 0.00 C ATOM 734 CD LYS A 49 33.719 -11.995 -15.490 1.00 0.00 C ATOM 735 CE LYS A 49 34.842 -11.441 -16.353 1.00 0.00 C ATOM 736 NZ LYS A 49 35.157 -12.340 -17.497 1.00 0.00 N ATOM 0 H LYS A 49 32.093 -12.786 -12.160 1.00 0.00 H new ATOM 0 HA LYS A 49 32.234 -10.074 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.745 -12.527 -14.113 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.738 -11.238 -14.742 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.485 -10.260 -15.761 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.425 -10.245 -14.282 1.00 0.00 H new ATOM 0 HD2 LYS A 49 34.142 -12.567 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 49 33.113 -12.684 -16.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.559 -10.458 -16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.735 -11.303 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 35.927 -11.927 -18.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 35.452 -13.270 -17.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 34.313 -12.452 -18.094 1.00 0.00 H new ATOM 750 N MET A 50 29.115 -11.149 -12.429 1.00 0.00 N ATOM 751 CA MET A 50 27.736 -10.711 -12.247 1.00 0.00 C ATOM 752 C MET A 50 27.572 -9.967 -10.925 1.00 0.00 C ATOM 753 O MET A 50 26.999 -8.878 -10.882 1.00 0.00 O ATOM 754 CB MET A 50 26.788 -11.911 -12.291 1.00 0.00 C ATOM 755 CG MET A 50 26.191 -12.162 -13.666 1.00 0.00 C ATOM 756 SD MET A 50 24.476 -11.619 -13.789 1.00 0.00 S ATOM 757 CE MET A 50 23.681 -12.744 -12.645 1.00 0.00 C ATOM 0 H MET A 50 29.241 -12.161 -12.420 1.00 0.00 H new ATOM 0 HA MET A 50 27.487 -10.030 -13.060 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.327 -12.802 -11.970 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.980 -11.752 -11.576 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.787 -11.643 -14.417 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.248 -13.226 -13.894 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.989 -12.190 -12.012 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.134 -13.504 -13.203 1.00 0.00 H new ATOM 0 HE3 MET A 50 24.436 -13.225 -12.023 1.00 0.00 H new ATOM 767 N TRP A 51 28.077 -10.562 -9.850 1.00 0.00 N ATOM 768 CA TRP A 51 27.985 -9.954 -8.527 1.00 0.00 C ATOM 769 C TRP A 51 28.495 -8.518 -8.551 1.00 0.00 C ATOM 770 O TRP A 51 27.790 -7.592 -8.152 1.00 0.00 O ATOM 771 CB TRP A 51 28.781 -10.775 -7.511 1.00 0.00 C ATOM 772 CG TRP A 51 28.925 -10.096 -6.182 1.00 0.00 C ATOM 773 CD1 TRP A 51 30.077 -9.934 -5.466 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.882 -9.490 -5.412 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.812 -9.264 -4.296 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.473 -8.979 -4.239 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.507 -9.327 -5.599 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.735 -8.320 -3.260 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.775 -8.672 -4.626 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.390 -8.174 -3.469 1.00 0.00 C ATOM 0 H TRP A 51 28.554 -11.464 -9.868 1.00 0.00 H new ATOM 0 HA TRP A 51 26.936 -9.941 -8.232 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.290 -11.738 -7.368 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.772 -10.979 -7.916 1.00 0.00 H new ATOM 0 HD1 TRP A 51 31.052 -10.281 -5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.501 -9.018 -3.585 1.00 0.00 H new ATOM 0 HE3 TRP A 51 26.025 -9.706 -6.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.207 -7.937 -2.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.711 -8.542 -4.760 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.791 -7.665 -2.728 1.00 0.00 H new ATOM 791 N GLY A 52 29.726 -8.339 -9.022 1.00 0.00 N ATOM 792 CA GLY A 52 30.309 -7.011 -9.088 1.00 0.00 C ATOM 793 C GLY A 52 29.372 -5.998 -9.715 1.00 0.00 C ATOM 794 O GLY A 52 29.232 -4.882 -9.215 1.00 0.00 O ATOM 0 H GLY A 52 30.329 -9.089 -9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.574 -6.683 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.234 -7.051 -9.664 1.00 0.00 H new ATOM 798 N GLN A 53 28.731 -6.386 -10.813 1.00 0.00 N ATOM 799 CA GLN A 53 27.805 -5.501 -11.509 1.00 0.00 C ATOM 800 C GLN A 53 26.768 -4.931 -10.546 1.00 0.00 C ATOM 801 O GLN A 53 26.296 -3.808 -10.721 1.00 0.00 O ATOM 802 CB GLN A 53 27.106 -6.251 -12.645 1.00 0.00 C ATOM 803 CG GLN A 53 28.025 -6.587 -13.808 1.00 0.00 C ATOM 804 CD GLN A 53 27.288 -6.664 -15.130 1.00 0.00 C ATOM 805 OE1 GLN A 53 26.482 -5.792 -15.457 1.00 0.00 O ATOM 806 NE2 GLN A 53 27.561 -7.711 -15.900 1.00 0.00 N ATOM 0 H GLN A 53 28.836 -7.307 -11.239 1.00 0.00 H new ATOM 0 HA GLN A 53 28.378 -4.674 -11.928 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.679 -7.174 -12.252 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.276 -5.647 -13.011 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.809 -5.833 -13.877 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.516 -7.540 -13.614 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.236 -8.410 -15.590 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.096 -7.816 -16.802 1.00 0.00 H new ATOM 815 N ARG A 54 26.419 -5.714 -9.531 1.00 0.00 N ATOM 816 CA ARG A 54 25.437 -5.287 -8.541 1.00 0.00 C ATOM 817 C ARG A 54 26.027 -4.234 -7.608 1.00 0.00 C ATOM 818 O ARG A 54 25.341 -3.298 -7.197 1.00 0.00 O ATOM 819 CB ARG A 54 24.946 -6.487 -7.729 1.00 0.00 C ATOM 820 CG ARG A 54 24.788 -7.756 -8.551 1.00 0.00 C ATOM 821 CD ARG A 54 23.881 -7.532 -9.751 1.00 0.00 C ATOM 822 NE ARG A 54 22.549 -8.092 -9.542 1.00 0.00 N ATOM 823 CZ ARG A 54 21.526 -7.879 -10.362 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.682 -7.124 -11.441 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.343 -8.423 -10.105 1.00 0.00 N ATOM 0 H ARG A 54 26.801 -6.646 -9.372 1.00 0.00 H new ATOM 0 HA ARG A 54 24.593 -4.845 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.647 -6.676 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.988 -6.238 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.767 -8.095 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.376 -8.548 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.798 -6.463 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.330 -7.985 -10.635 1.00 0.00 H new ATOM 0 HE ARG A 54 22.396 -8.679 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.590 -6.705 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.894 -6.962 -12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.219 -9.005 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.558 -8.259 -10.736 1.00 0.00 H new ATOM 839 N LYS A 55 27.303 -4.395 -7.275 1.00 0.00 N ATOM 840 CA LYS A 55 27.988 -3.459 -6.391 1.00 0.00 C ATOM 841 C LYS A 55 28.751 -2.411 -7.194 1.00 0.00 C ATOM 842 O LYS A 55 29.519 -1.625 -6.638 1.00 0.00 O ATOM 843 CB LYS A 55 28.950 -4.209 -5.467 1.00 0.00 C ATOM 844 CG LYS A 55 28.253 -5.142 -4.492 1.00 0.00 C ATOM 845 CD LYS A 55 28.436 -4.685 -3.055 1.00 0.00 C ATOM 846 CE LYS A 55 27.119 -4.697 -2.294 1.00 0.00 C ATOM 847 NZ LYS A 55 27.329 -4.703 -0.820 1.00 0.00 N ATOM 0 H LYS A 55 27.884 -5.166 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 55 27.236 -2.952 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.648 -4.786 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.540 -3.485 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.190 -5.188 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.648 -6.151 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 29.153 -5.335 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.855 -3.679 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.531 -3.823 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.541 -5.575 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.407 -4.711 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.869 -5.550 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.858 -3.852 -0.541 1.00 0.00 H new ATOM 861 N LYS A 56 28.535 -2.403 -8.505 1.00 0.00 N ATOM 862 CA LYS A 56 29.199 -1.450 -9.386 1.00 0.00 C ATOM 863 C LYS A 56 30.659 -1.263 -8.983 1.00 0.00 C ATOM 864 O LYS A 56 31.137 -0.138 -8.850 1.00 0.00 O ATOM 865 CB LYS A 56 28.474 -0.103 -9.353 1.00 0.00 C ATOM 866 CG LYS A 56 27.258 -0.044 -10.262 1.00 0.00 C ATOM 867 CD LYS A 56 27.176 1.282 -10.999 1.00 0.00 C ATOM 868 CE LYS A 56 26.207 2.238 -10.319 1.00 0.00 C ATOM 869 NZ LYS A 56 25.002 2.493 -11.155 1.00 0.00 N ATOM 0 H LYS A 56 27.904 -3.047 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 56 29.168 -1.848 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.163 0.108 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.172 0.683 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.302 -0.860 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 56 26.354 -0.189 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.166 1.736 -11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 56 26.857 1.109 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.902 1.823 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 56 26.712 3.182 -10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.367 3.149 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.291 2.912 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.505 1.596 -11.331 1.00 0.00 H new ATOM 883 N ASN A 57 31.362 -2.375 -8.791 1.00 0.00 N ATOM 884 CA ASN A 57 32.767 -2.333 -8.404 1.00 0.00 C ATOM 885 C ASN A 57 33.671 -2.382 -9.632 1.00 0.00 C ATOM 886 O ASN A 57 34.643 -1.633 -9.730 1.00 0.00 O ATOM 887 CB ASN A 57 33.095 -3.499 -7.469 1.00 0.00 C ATOM 888 CG ASN A 57 34.545 -3.494 -7.025 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.268 -2.521 -7.239 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.977 -4.585 -6.403 1.00 0.00 N ATOM 0 H ASN A 57 30.982 -3.315 -8.897 1.00 0.00 H new ATOM 0 HA ASN A 57 32.946 -1.394 -7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.449 -3.451 -6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.876 -4.439 -7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.943 -4.640 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 57 34.342 -5.368 -6.247 1.00 0.00 H new ATOM 897 N ASP A 58 33.343 -3.268 -10.566 1.00 0.00 N ATOM 898 CA ASP A 58 34.124 -3.414 -11.789 1.00 0.00 C ATOM 899 C ASP A 58 35.326 -4.325 -11.561 1.00 0.00 C ATOM 900 O ASP A 58 35.735 -5.066 -12.455 1.00 0.00 O ATOM 901 CB ASP A 58 34.592 -2.046 -12.287 1.00 0.00 C ATOM 902 CG ASP A 58 34.503 -1.917 -13.795 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.340 -2.527 -14.492 1.00 0.00 O ATOM 904 OD2 ASP A 58 33.597 -1.206 -14.278 1.00 0.00 O ATOM 0 H ASP A 58 32.542 -3.896 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 58 33.485 -3.868 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.987 -1.267 -11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.622 -1.881 -11.971 1.00 0.00 H new ATOM 909 N ARG A 59 35.889 -4.264 -10.358 1.00 0.00 N ATOM 910 CA ARG A 59 37.046 -5.081 -10.013 1.00 0.00 C ATOM 911 C ARG A 59 36.632 -6.275 -9.158 1.00 0.00 C ATOM 912 O ARG A 59 37.372 -6.704 -8.273 1.00 0.00 O ATOM 913 CB ARG A 59 38.085 -4.242 -9.267 1.00 0.00 C ATOM 914 CG ARG A 59 38.460 -2.957 -9.986 1.00 0.00 C ATOM 915 CD ARG A 59 39.952 -2.677 -9.887 1.00 0.00 C ATOM 916 NE ARG A 59 40.702 -3.323 -10.960 1.00 0.00 N ATOM 917 CZ ARG A 59 42.021 -3.232 -11.092 1.00 0.00 C ATOM 918 NH1 ARG A 59 42.731 -2.526 -10.223 1.00 0.00 N ATOM 919 NH2 ARG A 59 42.633 -3.848 -12.096 1.00 0.00 N ATOM 0 H ARG A 59 35.562 -3.657 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 59 37.486 -5.453 -10.938 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.698 -3.996 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.984 -4.840 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 59 38.171 -3.028 -11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.903 -2.124 -9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.122 -1.601 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.323 -3.027 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 59 40.185 -3.874 -11.646 1.00 0.00 H new ATOM 0 HH11 ARG A 59 42.265 -2.051 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 59 43.743 -2.458 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 59 42.091 -4.392 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 59 43.646 -3.777 -12.196 1.00 0.00 H new ATOM 933 N MET A 60 35.445 -6.808 -9.430 1.00 0.00 N ATOM 934 CA MET A 60 34.933 -7.953 -8.686 1.00 0.00 C ATOM 935 C MET A 60 35.413 -9.262 -9.305 1.00 0.00 C ATOM 936 O MET A 60 35.345 -9.447 -10.521 1.00 0.00 O ATOM 937 CB MET A 60 33.404 -7.923 -8.649 1.00 0.00 C ATOM 938 CG MET A 60 32.789 -9.115 -7.934 1.00 0.00 C ATOM 939 SD MET A 60 33.413 -9.314 -6.254 1.00 0.00 S ATOM 940 CE MET A 60 32.501 -8.031 -5.400 1.00 0.00 C ATOM 0 H MET A 60 34.820 -6.465 -10.160 1.00 0.00 H new ATOM 0 HA MET A 60 35.314 -7.892 -7.667 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.079 -7.007 -8.156 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.025 -7.887 -9.670 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.706 -8.996 -7.904 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.995 -10.021 -8.504 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.232 -8.378 -4.403 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.120 -7.138 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.595 -7.795 -5.959 1.00 0.00 H new ATOM 950 N THR A 61 35.898 -10.168 -8.461 1.00 0.00 N ATOM 951 CA THR A 61 36.390 -11.458 -8.926 1.00 0.00 C ATOM 952 C THR A 61 36.178 -12.539 -7.872 1.00 0.00 C ATOM 953 O THR A 61 36.249 -12.272 -6.672 1.00 0.00 O ATOM 954 CB THR A 61 37.886 -11.393 -9.285 1.00 0.00 C ATOM 955 OG1 THR A 61 38.357 -12.692 -9.662 1.00 0.00 O ATOM 956 CG2 THR A 61 38.702 -10.873 -8.110 1.00 0.00 C ATOM 0 H THR A 61 35.960 -10.031 -7.452 1.00 0.00 H new ATOM 0 HA THR A 61 35.821 -11.710 -9.821 1.00 0.00 H new ATOM 0 HB THR A 61 38.006 -10.707 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.309 -12.641 -9.890 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.756 -10.836 -8.387 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.361 -9.872 -7.845 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.575 -11.538 -7.256 1.00 0.00 H new ATOM 964 N TYR A 62 35.919 -13.760 -8.327 1.00 0.00 N ATOM 965 CA TYR A 62 35.696 -14.882 -7.423 1.00 0.00 C ATOM 966 C TYR A 62 36.627 -14.803 -6.217 1.00 0.00 C ATOM 967 O TYR A 62 36.188 -14.915 -5.073 1.00 0.00 O ATOM 968 CB TYR A 62 35.906 -16.206 -8.158 1.00 0.00 C ATOM 969 CG TYR A 62 35.314 -17.398 -7.440 1.00 0.00 C ATOM 970 CD1 TYR A 62 34.015 -17.362 -6.948 1.00 0.00 C ATOM 971 CD2 TYR A 62 36.053 -18.559 -7.253 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.469 -18.448 -6.291 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.515 -19.651 -6.598 1.00 0.00 C ATOM 974 CZ TYR A 62 34.223 -19.590 -6.119 1.00 0.00 C ATOM 975 OH TYR A 62 33.684 -20.674 -5.465 1.00 0.00 O ATOM 0 H TYR A 62 35.858 -13.998 -9.317 1.00 0.00 H new ATOM 0 HA TYR A 62 34.667 -14.831 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.463 -16.134 -9.152 1.00 0.00 H new ATOM 0 HB3 TYR A 62 36.975 -16.370 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.422 -16.469 -7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 62 37.065 -18.610 -7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.458 -18.403 -5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 62 36.103 -20.547 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 62 34.345 -21.396 -5.429 1.00 0.00 H new ATOM 985 N GLU A 63 37.915 -14.607 -6.483 1.00 0.00 N ATOM 986 CA GLU A 63 38.908 -14.514 -5.420 1.00 0.00 C ATOM 987 C GLU A 63 38.445 -13.557 -4.325 1.00 0.00 C ATOM 988 O GLU A 63 38.609 -13.829 -3.136 1.00 0.00 O ATOM 989 CB GLU A 63 40.251 -14.047 -5.986 1.00 0.00 C ATOM 990 CG GLU A 63 41.184 -15.187 -6.358 1.00 0.00 C ATOM 991 CD GLU A 63 42.396 -14.718 -7.139 1.00 0.00 C ATOM 992 OE1 GLU A 63 43.267 -14.053 -6.539 1.00 0.00 O ATOM 993 OE2 GLU A 63 42.474 -15.015 -8.349 1.00 0.00 O ATOM 0 H GLU A 63 38.294 -14.510 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 63 39.030 -15.506 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.070 -13.434 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.744 -13.410 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.515 -15.692 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.637 -15.921 -6.950 1.00 0.00 H new ATOM 1000 N LYS A 64 37.865 -12.434 -4.736 1.00 0.00 N ATOM 1001 CA LYS A 64 37.377 -11.435 -3.792 1.00 0.00 C ATOM 1002 C LYS A 64 35.999 -11.816 -3.262 1.00 0.00 C ATOM 1003 O LYS A 64 35.758 -11.788 -2.054 1.00 0.00 O ATOM 1004 CB LYS A 64 37.316 -10.059 -4.460 1.00 0.00 C ATOM 1005 CG LYS A 64 38.666 -9.556 -4.941 1.00 0.00 C ATOM 1006 CD LYS A 64 38.527 -8.284 -5.760 1.00 0.00 C ATOM 1007 CE LYS A 64 39.816 -7.952 -6.496 1.00 0.00 C ATOM 1008 NZ LYS A 64 39.622 -7.934 -7.973 1.00 0.00 N ATOM 0 H LYS A 64 37.721 -12.193 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 64 38.071 -11.394 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.632 -10.106 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.900 -9.340 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.312 -9.369 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.149 -10.326 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.716 -8.399 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.257 -7.456 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.183 -6.980 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.580 -8.685 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 40.159 -7.144 -8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.960 -8.830 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.612 -7.816 -8.189 1.00 0.00 H new ATOM 1022 N LEU A 65 35.098 -12.172 -4.171 1.00 0.00 N ATOM 1023 CA LEU A 65 33.743 -12.561 -3.794 1.00 0.00 C ATOM 1024 C LEU A 65 33.765 -13.591 -2.669 1.00 0.00 C ATOM 1025 O LEU A 65 33.098 -13.424 -1.648 1.00 0.00 O ATOM 1026 CB LEU A 65 32.998 -13.127 -5.004 1.00 0.00 C ATOM 1027 CG LEU A 65 31.620 -13.727 -4.724 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.641 -13.354 -5.826 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.716 -15.239 -4.582 1.00 0.00 C ATOM 0 H LEU A 65 35.281 -12.199 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 65 33.223 -11.672 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.883 -12.331 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.621 -13.896 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 65 31.250 -13.317 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.666 -13.790 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.550 -12.269 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.005 -13.735 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.726 -15.649 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.107 -15.667 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.384 -15.485 -3.756 1.00 0.00 H new ATOM 1041 N SER A 66 34.538 -14.655 -2.862 1.00 0.00 N ATOM 1042 CA SER A 66 34.646 -15.712 -1.864 1.00 0.00 C ATOM 1043 C SER A 66 34.788 -15.125 -0.463 1.00 0.00 C ATOM 1044 O SER A 66 34.236 -15.655 0.502 1.00 0.00 O ATOM 1045 CB SER A 66 35.842 -16.615 -2.174 1.00 0.00 C ATOM 1046 OG SER A 66 35.737 -17.172 -3.473 1.00 0.00 O ATOM 0 H SER A 66 35.099 -14.808 -3.700 1.00 0.00 H new ATOM 0 HA SER A 66 33.732 -16.305 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 66 36.765 -16.041 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.899 -17.415 -1.435 1.00 0.00 H new ATOM 0 HG SER A 66 35.955 -16.488 -4.141 1.00 0.00 H new ATOM 1052 N ARG A 67 35.530 -14.028 -0.360 1.00 0.00 N ATOM 1053 CA ARG A 67 35.746 -13.369 0.922 1.00 0.00 C ATOM 1054 C ARG A 67 34.450 -13.304 1.725 1.00 0.00 C ATOM 1055 O ARG A 67 34.454 -13.477 2.943 1.00 0.00 O ATOM 1056 CB ARG A 67 36.297 -11.958 0.708 1.00 0.00 C ATOM 1057 CG ARG A 67 35.217 -10.899 0.555 1.00 0.00 C ATOM 1058 CD ARG A 67 35.817 -9.518 0.344 1.00 0.00 C ATOM 1059 NE ARG A 67 34.820 -8.460 0.488 1.00 0.00 N ATOM 1060 CZ ARG A 67 35.098 -7.167 0.370 1.00 0.00 C ATOM 1061 NH1 ARG A 67 36.337 -6.773 0.107 1.00 0.00 N ATOM 1062 NH2 ARG A 67 34.137 -6.264 0.515 1.00 0.00 N ATOM 0 H ARG A 67 35.992 -13.576 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 67 36.473 -13.954 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.935 -11.695 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.927 -11.954 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.576 -11.151 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.586 -10.891 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.621 -9.359 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 67 36.262 -9.464 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 67 33.857 -8.729 0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 67 37.079 -7.464 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 67 36.548 -5.779 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 67 33.183 -6.563 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 67 34.352 -5.271 0.424 1.00 0.00 H new ATOM 1076 N ALA A 68 33.343 -13.054 1.033 1.00 0.00 N ATOM 1077 CA ALA A 68 32.040 -12.968 1.681 1.00 0.00 C ATOM 1078 C ALA A 68 31.484 -14.355 1.982 1.00 0.00 C ATOM 1079 O ALA A 68 30.735 -14.540 2.942 1.00 0.00 O ATOM 1080 CB ALA A 68 31.069 -12.185 0.810 1.00 0.00 C ATOM 0 H ALA A 68 33.323 -12.908 0.024 1.00 0.00 H new ATOM 0 HA ALA A 68 32.166 -12.443 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 68 30.100 -12.128 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.454 -11.178 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.956 -12.687 -0.151 1.00 0.00 H new ATOM 1086 N LEU A 69 31.854 -15.328 1.156 1.00 0.00 N ATOM 1087 CA LEU A 69 31.392 -16.700 1.334 1.00 0.00 C ATOM 1088 C LEU A 69 31.960 -17.305 2.613 1.00 0.00 C ATOM 1089 O LEU A 69 31.307 -18.113 3.273 1.00 0.00 O ATOM 1090 CB LEU A 69 31.792 -17.554 0.130 1.00 0.00 C ATOM 1091 CG LEU A 69 31.352 -17.033 -1.239 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.868 -17.940 -2.346 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.836 -16.920 -1.303 1.00 0.00 C ATOM 0 H LEU A 69 32.473 -15.192 0.357 1.00 0.00 H new ATOM 0 HA LEU A 69 30.305 -16.683 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.877 -17.655 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.379 -18.554 0.266 1.00 0.00 H new ATOM 0 HG LEU A 69 31.777 -16.040 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.545 -17.554 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.957 -17.971 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.472 -18.946 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.540 -16.548 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.391 -17.901 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.490 -16.230 -0.534 1.00 0.00 H new ATOM 1105 N ARG A 70 33.180 -16.907 2.959 1.00 0.00 N ATOM 1106 CA ARG A 70 33.836 -17.409 4.160 1.00 0.00 C ATOM 1107 C ARG A 70 33.450 -16.577 5.379 1.00 0.00 C ATOM 1108 O ARG A 70 33.553 -17.038 6.516 1.00 0.00 O ATOM 1109 CB ARG A 70 35.356 -17.396 3.980 1.00 0.00 C ATOM 1110 CG ARG A 70 35.826 -18.099 2.718 1.00 0.00 C ATOM 1111 CD ARG A 70 36.313 -19.509 3.014 1.00 0.00 C ATOM 1112 NE ARG A 70 37.684 -19.721 2.558 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.755 -19.332 3.241 1.00 0.00 C ATOM 1114 NH1 ARG A 70 38.613 -18.713 4.405 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.970 -19.561 2.760 1.00 0.00 N ATOM 0 H ARG A 70 33.734 -16.238 2.424 1.00 0.00 H new ATOM 0 HA ARG A 70 33.505 -18.435 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.702 -16.363 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.820 -17.871 4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.010 -18.139 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.630 -17.524 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.255 -19.695 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.654 -20.229 2.529 1.00 0.00 H new ATOM 0 HE ARG A 70 37.827 -20.194 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 70 37.680 -18.535 4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 70 39.436 -18.415 4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.083 -20.036 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.791 -19.262 3.286 1.00 0.00 H new ATOM 1129 N TYR A 71 33.006 -15.349 5.134 1.00 0.00 N ATOM 1130 CA TYR A 71 32.608 -14.451 6.211 1.00 0.00 C ATOM 1131 C TYR A 71 31.163 -14.710 6.629 1.00 0.00 C ATOM 1132 O TYR A 71 30.749 -14.347 7.731 1.00 0.00 O ATOM 1133 CB TYR A 71 32.772 -12.994 5.776 1.00 0.00 C ATOM 1134 CG TYR A 71 32.204 -12.000 6.764 1.00 0.00 C ATOM 1135 CD1 TYR A 71 32.933 -11.607 7.880 1.00 0.00 C ATOM 1136 CD2 TYR A 71 30.940 -11.454 6.582 1.00 0.00 C ATOM 1137 CE1 TYR A 71 32.419 -10.699 8.786 1.00 0.00 C ATOM 1138 CE2 TYR A 71 30.418 -10.545 7.482 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.161 -10.171 8.582 1.00 0.00 C ATOM 1140 OH TYR A 71 30.644 -9.266 9.481 1.00 0.00 O ATOM 0 H TYR A 71 32.913 -14.953 4.199 1.00 0.00 H new ATOM 0 HA TYR A 71 33.255 -14.642 7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.832 -12.784 5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.284 -12.854 4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 71 33.918 -12.018 8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 71 30.355 -11.745 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 71 32.999 -10.405 9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 71 29.434 -10.130 7.325 1.00 0.00 H new ATOM 0 HH TYR A 71 29.749 -8.991 9.190 1.00 0.00 H new ATOM 1150 N TYR A 72 30.401 -15.340 5.742 1.00 0.00 N ATOM 1151 CA TYR A 72 29.003 -15.646 6.016 1.00 0.00 C ATOM 1152 C TYR A 72 28.881 -16.797 7.010 1.00 0.00 C ATOM 1153 O TYR A 72 27.842 -16.977 7.645 1.00 0.00 O ATOM 1154 CB TYR A 72 28.272 -15.998 4.719 1.00 0.00 C ATOM 1155 CG TYR A 72 27.796 -14.790 3.945 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.094 -13.769 4.575 1.00 0.00 C ATOM 1157 CD2 TYR A 72 28.047 -14.669 2.584 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.657 -12.663 3.872 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.614 -13.566 1.873 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.920 -12.566 2.521 1.00 0.00 C ATOM 1161 OH TYR A 72 26.486 -11.467 1.816 1.00 0.00 O ATOM 0 H TYR A 72 30.729 -15.649 4.827 1.00 0.00 H new ATOM 0 HA TYR A 72 28.544 -14.760 6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.936 -16.586 4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.415 -16.629 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.887 -13.842 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.590 -15.450 2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.113 -11.879 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.818 -13.488 0.815 1.00 0.00 H new ATOM 0 HH TYR A 72 27.256 -10.918 1.560 1.00 0.00 H new ATOM 1171 N TYR A 73 29.952 -17.573 7.140 1.00 0.00 N ATOM 1172 CA TYR A 73 29.967 -18.708 8.054 1.00 0.00 C ATOM 1173 C TYR A 73 29.835 -18.243 9.502 1.00 0.00 C ATOM 1174 O TYR A 73 29.395 -18.996 10.371 1.00 0.00 O ATOM 1175 CB TYR A 73 31.256 -19.513 7.881 1.00 0.00 C ATOM 1176 CG TYR A 73 31.405 -20.129 6.508 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.316 -20.698 5.858 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.634 -20.142 5.861 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.448 -21.263 4.605 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.775 -20.704 4.606 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.679 -21.263 3.983 1.00 0.00 C ATOM 1182 OH TYR A 73 31.814 -21.824 2.733 1.00 0.00 O ATOM 0 H TYR A 73 30.821 -17.436 6.624 1.00 0.00 H new ATOM 0 HA TYR A 73 29.115 -19.344 7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.109 -18.862 8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.284 -20.304 8.630 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.350 -20.698 6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.494 -19.706 6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.592 -21.703 4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.738 -20.705 4.116 1.00 0.00 H new ATOM 0 HH TYR A 73 32.744 -21.741 2.436 1.00 0.00 H new ATOM 1192 N LYS A 74 30.219 -16.996 9.753 1.00 0.00 N ATOM 1193 CA LYS A 74 30.143 -16.427 11.093 1.00 0.00 C ATOM 1194 C LYS A 74 28.708 -16.047 11.442 1.00 0.00 C ATOM 1195 O LYS A 74 28.216 -16.362 12.527 1.00 0.00 O ATOM 1196 CB LYS A 74 31.048 -15.198 11.200 1.00 0.00 C ATOM 1197 CG LYS A 74 32.323 -15.309 10.382 1.00 0.00 C ATOM 1198 CD LYS A 74 33.268 -14.152 10.663 1.00 0.00 C ATOM 1199 CE LYS A 74 34.134 -14.424 11.883 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.269 -15.335 11.566 1.00 0.00 N ATOM 0 H LYS A 74 30.586 -16.360 9.045 1.00 0.00 H new ATOM 0 HA LYS A 74 30.482 -17.183 11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.493 -14.319 10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.310 -15.040 12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.822 -16.251 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.075 -15.328 9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.904 -13.981 9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 74 32.692 -13.240 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 74 34.522 -13.482 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 74 33.523 -14.865 12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 35.626 -15.763 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 34.943 -16.084 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 36.031 -14.794 11.110 1.00 0.00 H new ATOM 1214 N THR A 75 28.038 -15.368 10.516 1.00 0.00 N ATOM 1215 CA THR A 75 26.659 -14.945 10.725 1.00 0.00 C ATOM 1216 C THR A 75 25.693 -16.110 10.542 1.00 0.00 C ATOM 1217 O THR A 75 24.535 -16.039 10.951 1.00 0.00 O ATOM 1218 CB THR A 75 26.267 -13.810 9.761 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.150 -14.319 8.427 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.297 -12.692 9.793 1.00 0.00 C ATOM 0 H THR A 75 28.429 -15.099 9.613 1.00 0.00 H new ATOM 0 HA THR A 75 26.592 -14.579 11.750 1.00 0.00 H new ATOM 0 HB THR A 75 25.307 -13.407 10.082 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.218 -13.579 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 75 26.998 -11.902 9.104 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.363 -12.287 10.803 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.269 -13.084 9.495 1.00 0.00 H new ATOM 1228 N GLY A 76 26.177 -17.183 9.923 1.00 0.00 N ATOM 1229 CA GLY A 76 25.342 -18.348 9.696 1.00 0.00 C ATOM 1230 C GLY A 76 24.681 -18.331 8.332 1.00 0.00 C ATOM 1231 O GLY A 76 24.026 -19.298 7.941 1.00 0.00 O ATOM 0 H GLY A 76 27.132 -17.266 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.948 -19.249 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.574 -18.397 10.468 1.00 0.00 H new ATOM 1235 N ILE A 77 24.853 -17.231 7.607 1.00 0.00 N ATOM 1236 CA ILE A 77 24.267 -17.094 6.279 1.00 0.00 C ATOM 1237 C ILE A 77 24.662 -18.261 5.381 1.00 0.00 C ATOM 1238 O ILE A 77 23.837 -18.790 4.634 1.00 0.00 O ATOM 1239 CB ILE A 77 24.698 -15.776 5.608 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.011 -14.587 6.283 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.374 -15.808 4.122 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.653 -14.262 5.699 1.00 0.00 C ATOM 0 H ILE A 77 25.393 -16.423 7.916 1.00 0.00 H new ATOM 0 HA ILE A 77 23.185 -17.090 6.410 1.00 0.00 H new ATOM 0 HB ILE A 77 25.776 -15.662 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 77 23.899 -14.798 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.653 -13.710 6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.684 -14.870 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.904 -16.636 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.301 -15.941 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.225 -13.409 6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.760 -14.019 4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 77 21.994 -15.124 5.808 1.00 0.00 H new ATOM 1254 N LEU A 78 25.926 -18.659 5.459 1.00 0.00 N ATOM 1255 CA LEU A 78 26.431 -19.766 4.654 1.00 0.00 C ATOM 1256 C LEU A 78 26.858 -20.933 5.539 1.00 0.00 C ATOM 1257 O LEU A 78 26.987 -20.787 6.754 1.00 0.00 O ATOM 1258 CB LEU A 78 27.611 -19.304 3.797 1.00 0.00 C ATOM 1259 CG LEU A 78 27.280 -18.911 2.357 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.482 -18.257 1.693 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.827 -20.127 1.563 1.00 0.00 C ATOM 0 H LEU A 78 26.621 -18.232 6.072 1.00 0.00 H new ATOM 0 HA LEU A 78 25.626 -20.104 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.078 -18.450 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.352 -20.103 3.773 1.00 0.00 H new ATOM 0 HG LEU A 78 26.463 -18.189 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.228 -17.984 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.762 -17.362 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.318 -18.956 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.596 -19.828 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.623 -20.872 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.937 -20.553 2.027 1.00 0.00 H new ATOM 1273 N GLU A 79 27.076 -22.089 4.921 1.00 0.00 N ATOM 1274 CA GLU A 79 27.490 -23.280 5.654 1.00 0.00 C ATOM 1275 C GLU A 79 28.778 -23.857 5.072 1.00 0.00 C ATOM 1276 O GLU A 79 28.843 -24.186 3.888 1.00 0.00 O ATOM 1277 CB GLU A 79 26.384 -24.337 5.619 1.00 0.00 C ATOM 1278 CG GLU A 79 25.646 -24.490 6.939 1.00 0.00 C ATOM 1279 CD GLU A 79 25.717 -25.902 7.487 1.00 0.00 C ATOM 1280 OE1 GLU A 79 25.740 -26.852 6.678 1.00 0.00 O ATOM 1281 OE2 GLU A 79 25.748 -26.056 8.726 1.00 0.00 O ATOM 0 H GLU A 79 26.973 -22.226 3.916 1.00 0.00 H new ATOM 0 HA GLU A 79 27.676 -22.992 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.668 -24.076 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.819 -25.297 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.068 -23.799 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.602 -24.210 6.802 1.00 0.00 H new ATOM 1288 N ARG A 80 29.799 -23.976 5.914 1.00 0.00 N ATOM 1289 CA ARG A 80 31.085 -24.510 5.484 1.00 0.00 C ATOM 1290 C ARG A 80 30.909 -25.855 4.786 1.00 0.00 C ATOM 1291 O ARG A 80 30.191 -26.730 5.271 1.00 0.00 O ATOM 1292 CB ARG A 80 32.023 -24.665 6.683 1.00 0.00 C ATOM 1293 CG ARG A 80 33.494 -24.513 6.329 1.00 0.00 C ATOM 1294 CD ARG A 80 34.123 -23.336 7.059 1.00 0.00 C ATOM 1295 NE ARG A 80 35.572 -23.294 6.882 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.422 -24.015 7.605 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.970 -24.830 8.548 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.727 -23.922 7.384 1.00 0.00 N ATOM 0 H ARG A 80 29.760 -23.710 6.898 1.00 0.00 H new ATOM 0 HA ARG A 80 31.524 -23.807 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.761 -23.923 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.866 -25.645 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.028 -25.428 6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.598 -24.373 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.686 -22.407 6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.889 -23.401 8.122 1.00 0.00 H new ATOM 0 HE ARG A 80 35.952 -22.677 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.967 -24.905 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.625 -25.382 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 80 38.078 -23.297 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.379 -24.476 7.939 1.00 0.00 H new ATOM 1312 N VAL A 81 31.569 -26.014 3.643 1.00 0.00 N ATOM 1313 CA VAL A 81 31.486 -27.252 2.877 1.00 0.00 C ATOM 1314 C VAL A 81 32.874 -27.805 2.575 1.00 0.00 C ATOM 1315 O VAL A 81 33.786 -27.060 2.216 1.00 0.00 O ATOM 1316 CB VAL A 81 30.729 -27.043 1.552 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.846 -28.276 0.670 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.270 -26.706 1.821 1.00 0.00 C ATOM 0 H VAL A 81 32.167 -25.300 3.227 1.00 0.00 H new ATOM 0 HA VAL A 81 30.938 -27.968 3.490 1.00 0.00 H new ATOM 0 HB VAL A 81 31.181 -26.204 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.305 -28.110 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.896 -28.468 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.421 -29.136 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.749 -26.561 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.803 -27.523 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.211 -25.791 2.411 1.00 0.00 H new ATOM 1328 N ASP A 82 33.027 -29.117 2.722 1.00 0.00 N ATOM 1329 CA ASP A 82 34.304 -29.771 2.463 1.00 0.00 C ATOM 1330 C ASP A 82 34.346 -30.340 1.048 1.00 0.00 C ATOM 1331 O ASP A 82 34.981 -31.365 0.799 1.00 0.00 O ATOM 1332 CB ASP A 82 34.546 -30.886 3.482 1.00 0.00 C ATOM 1333 CG ASP A 82 35.447 -30.446 4.618 1.00 0.00 C ATOM 1334 OD1 ASP A 82 36.683 -30.487 4.445 1.00 0.00 O ATOM 1335 OD2 ASP A 82 34.917 -30.061 5.682 1.00 0.00 O ATOM 0 H ASP A 82 32.283 -29.748 3.019 1.00 0.00 H new ATOM 0 HA ASP A 82 35.093 -29.025 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.590 -31.217 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 82 34.993 -31.743 2.979 1.00 0.00 H new ATOM 1340 N ARG A 83 33.664 -29.670 0.126 1.00 0.00 N ATOM 1341 CA ARG A 83 33.621 -30.110 -1.264 1.00 0.00 C ATOM 1342 C ARG A 83 34.265 -29.075 -2.182 1.00 0.00 C ATOM 1343 O ARG A 83 34.700 -28.016 -1.731 1.00 0.00 O ATOM 1344 CB ARG A 83 32.176 -30.363 -1.697 1.00 0.00 C ATOM 1345 CG ARG A 83 31.811 -31.836 -1.771 1.00 0.00 C ATOM 1346 CD ARG A 83 30.324 -32.054 -1.544 1.00 0.00 C ATOM 1347 NE ARG A 83 29.692 -32.738 -2.670 1.00 0.00 N ATOM 1348 CZ ARG A 83 29.790 -34.045 -2.884 1.00 0.00 C ATOM 1349 NH1 ARG A 83 30.491 -34.806 -2.054 1.00 0.00 N ATOM 1350 NH2 ARG A 83 29.187 -34.593 -3.931 1.00 0.00 N ATOM 0 H ARG A 83 33.133 -28.820 0.316 1.00 0.00 H new ATOM 0 HA ARG A 83 34.184 -31.040 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.504 -29.866 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.013 -29.908 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.093 -32.233 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.379 -32.391 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.178 -32.639 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 83 29.837 -31.092 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 83 29.146 -32.181 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 83 30.957 -34.388 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 83 30.564 -35.810 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 83 28.648 -34.010 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.262 -35.597 -4.095 1.00 0.00 H new ATOM 1364 N ARG A 84 34.322 -29.390 -3.472 1.00 0.00 N ATOM 1365 CA ARG A 84 34.915 -28.489 -4.453 1.00 0.00 C ATOM 1366 C ARG A 84 33.864 -27.542 -5.025 1.00 0.00 C ATOM 1367 O ARG A 84 32.821 -27.977 -5.515 1.00 0.00 O ATOM 1368 CB ARG A 84 35.566 -29.288 -5.583 1.00 0.00 C ATOM 1369 CG ARG A 84 36.078 -28.424 -6.723 1.00 0.00 C ATOM 1370 CD ARG A 84 37.499 -27.948 -6.466 1.00 0.00 C ATOM 1371 NE ARG A 84 38.420 -28.379 -7.515 1.00 0.00 N ATOM 1372 CZ ARG A 84 39.731 -28.497 -7.339 1.00 0.00 C ATOM 1373 NH1 ARG A 84 40.273 -28.216 -6.162 1.00 0.00 N ATOM 1374 NH2 ARG A 84 40.503 -28.896 -8.342 1.00 0.00 N ATOM 0 H ARG A 84 33.965 -30.262 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 84 35.679 -27.896 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.395 -29.867 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 84 34.842 -30.002 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 84 36.046 -28.991 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 84 35.422 -27.563 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.510 -26.860 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 84 37.841 -28.330 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 84 38.035 -28.601 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 84 39.683 -27.908 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 84 41.280 -28.307 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 84 40.090 -29.112 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 84 41.510 -28.986 -8.206 1.00 0.00 H new ATOM 1388 N LEU A 85 34.145 -26.245 -4.958 1.00 0.00 N ATOM 1389 CA LEU A 85 33.224 -25.236 -5.469 1.00 0.00 C ATOM 1390 C LEU A 85 31.782 -25.587 -5.119 1.00 0.00 C ATOM 1391 O LEU A 85 30.886 -25.485 -5.957 1.00 0.00 O ATOM 1392 CB LEU A 85 33.374 -25.101 -6.985 1.00 0.00 C ATOM 1393 CG LEU A 85 34.407 -24.082 -7.470 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.777 -24.394 -6.889 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.462 -24.060 -8.990 1.00 0.00 C ATOM 0 H LEU A 85 35.003 -25.868 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 85 33.471 -24.284 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.637 -26.077 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.404 -24.832 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 85 34.105 -23.094 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.499 -23.659 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.728 -24.357 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.088 -25.390 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.202 -23.329 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.740 -25.048 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.484 -23.787 -9.386 1.00 0.00 H new ATOM 1407 N VAL A 86 31.564 -26.000 -3.874 1.00 0.00 N ATOM 1408 CA VAL A 86 30.230 -26.363 -3.411 1.00 0.00 C ATOM 1409 C VAL A 86 29.891 -25.657 -2.104 1.00 0.00 C ATOM 1410 O VAL A 86 30.560 -25.851 -1.089 1.00 0.00 O ATOM 1411 CB VAL A 86 30.101 -27.885 -3.208 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.749 -28.230 -2.604 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.309 -28.617 -4.526 1.00 0.00 C ATOM 0 H VAL A 86 32.295 -26.091 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 86 29.530 -26.046 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 86 30.875 -28.209 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.676 -29.309 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.645 -27.735 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 86 27.956 -27.894 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.215 -29.691 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.558 -28.291 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.303 -28.394 -4.913 1.00 0.00 H new ATOM 1423 N TYR A 87 28.847 -24.836 -2.135 1.00 0.00 N ATOM 1424 CA TYR A 87 28.419 -24.098 -0.953 1.00 0.00 C ATOM 1425 C TYR A 87 26.974 -24.431 -0.596 1.00 0.00 C ATOM 1426 O TYR A 87 26.279 -25.118 -1.345 1.00 0.00 O ATOM 1427 CB TYR A 87 28.566 -22.593 -1.184 1.00 0.00 C ATOM 1428 CG TYR A 87 29.972 -22.169 -1.541 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.502 -22.437 -2.798 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.773 -21.502 -0.622 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.787 -22.053 -3.129 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.058 -21.113 -0.945 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.561 -21.390 -2.199 1.00 0.00 C ATOM 1434 OH TYR A 87 33.841 -21.005 -2.523 1.00 0.00 O ATOM 0 H TYR A 87 28.281 -24.665 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 87 29.057 -24.395 -0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.890 -22.289 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.254 -22.064 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.898 -22.955 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.384 -21.284 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.183 -22.270 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.666 -20.594 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 87 33.907 -20.871 -3.492 1.00 0.00 H new ATOM 1444 N LYS A 88 26.526 -23.938 0.554 1.00 0.00 N ATOM 1445 CA LYS A 88 25.163 -24.179 1.012 1.00 0.00 C ATOM 1446 C LYS A 88 24.672 -23.031 1.887 1.00 0.00 C ATOM 1447 O LYS A 88 25.430 -22.475 2.682 1.00 0.00 O ATOM 1448 CB LYS A 88 25.091 -25.495 1.790 1.00 0.00 C ATOM 1449 CG LYS A 88 23.731 -25.759 2.413 1.00 0.00 C ATOM 1450 CD LYS A 88 23.859 -26.458 3.756 1.00 0.00 C ATOM 1451 CE LYS A 88 22.539 -26.457 4.513 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.731 -26.167 5.961 1.00 0.00 N ATOM 0 H LYS A 88 27.088 -23.368 1.186 1.00 0.00 H new ATOM 0 HA LYS A 88 24.518 -24.246 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.340 -26.318 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 88 25.846 -25.484 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.200 -24.816 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.134 -26.372 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.191 -27.485 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.623 -25.962 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.872 -25.712 4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.053 -27.426 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.888 -26.468 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.562 -26.684 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.877 -25.146 6.094 1.00 0.00 H new ATOM 1466 N PHE A 89 23.399 -22.681 1.737 1.00 0.00 N ATOM 1467 CA PHE A 89 22.806 -21.599 2.515 1.00 0.00 C ATOM 1468 C PHE A 89 22.376 -22.092 3.893 1.00 0.00 C ATOM 1469 O PHE A 89 21.596 -23.036 4.012 1.00 0.00 O ATOM 1470 CB PHE A 89 21.604 -21.009 1.774 1.00 0.00 C ATOM 1471 CG PHE A 89 21.965 -20.352 0.473 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.495 -19.072 0.452 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.776 -21.014 -0.729 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.827 -18.464 -0.744 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.107 -20.412 -1.929 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.635 -19.135 -1.936 1.00 0.00 C ATOM 0 H PHE A 89 22.758 -23.131 1.084 1.00 0.00 H new ATOM 0 HA PHE A 89 23.560 -20.823 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.880 -21.801 1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.114 -20.278 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.650 -18.543 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.365 -22.013 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.236 -17.465 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.953 -20.939 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.897 -18.663 -2.871 1.00 0.00 H new ATOM 1486 N GLY A 90 22.893 -21.446 4.934 1.00 0.00 N ATOM 1487 CA GLY A 90 22.552 -21.832 6.291 1.00 0.00 C ATOM 1488 C GLY A 90 21.118 -21.496 6.647 1.00 0.00 C ATOM 1489 O GLY A 90 20.229 -21.550 5.796 1.00 0.00 O ATOM 0 H GLY A 90 23.542 -20.662 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.711 -22.904 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.223 -21.330 6.988 1.00 0.00 H new ATOM 1493 N LYS A 91 20.889 -21.148 7.908 1.00 0.00 N ATOM 1494 CA LYS A 91 19.552 -20.802 8.377 1.00 0.00 C ATOM 1495 C LYS A 91 19.324 -19.295 8.307 1.00 0.00 C ATOM 1496 O LYS A 91 18.186 -18.832 8.253 1.00 0.00 O ATOM 1497 CB LYS A 91 19.349 -21.293 9.812 1.00 0.00 C ATOM 1498 CG LYS A 91 20.297 -20.656 10.813 1.00 0.00 C ATOM 1499 CD LYS A 91 20.475 -21.526 12.045 1.00 0.00 C ATOM 1500 CE LYS A 91 20.197 -20.748 13.322 1.00 0.00 C ATOM 1501 NZ LYS A 91 21.194 -21.053 14.386 1.00 0.00 N ATOM 0 H LYS A 91 21.613 -21.098 8.625 1.00 0.00 H new ATOM 0 HA LYS A 91 18.828 -21.292 7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.322 -21.088 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.479 -22.375 9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.266 -20.488 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.913 -19.680 11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.804 -22.383 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.492 -21.918 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.211 -19.680 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.197 -20.987 13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.970 -20.503 15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.163 -22.068 14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 22.146 -20.801 14.052 1.00 0.00 H new ATOM 1515 N ASN A 92 20.415 -18.536 8.306 1.00 0.00 N ATOM 1516 CA ASN A 92 20.333 -17.081 8.241 1.00 0.00 C ATOM 1517 C ASN A 92 19.799 -16.626 6.887 1.00 0.00 C ATOM 1518 O ASN A 92 19.176 -15.570 6.777 1.00 0.00 O ATOM 1519 CB ASN A 92 21.709 -16.460 8.494 1.00 0.00 C ATOM 1520 CG ASN A 92 21.894 -16.033 9.938 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.266 -14.894 10.217 1.00 0.00 O ATOM 1522 ND2 ASN A 92 21.634 -16.950 10.863 1.00 0.00 N ATOM 0 H ASN A 92 21.365 -18.904 8.349 1.00 0.00 H new ATOM 0 HA ASN A 92 19.642 -16.746 9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.484 -17.179 8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.840 -15.596 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 92 21.741 -16.722 11.851 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.328 -17.882 10.585 1.00 0.00 H new ATOM 1529 N ALA A 93 20.046 -17.431 5.859 1.00 0.00 N ATOM 1530 CA ALA A 93 19.587 -17.112 4.512 1.00 0.00 C ATOM 1531 C ALA A 93 18.161 -17.603 4.287 1.00 0.00 C ATOM 1532 O ALA A 93 17.794 -18.695 4.721 1.00 0.00 O ATOM 1533 CB ALA A 93 20.525 -17.719 3.478 1.00 0.00 C ATOM 0 H ALA A 93 20.561 -18.308 5.933 1.00 0.00 H new ATOM 0 HA ALA A 93 19.592 -16.028 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.171 -17.473 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.529 -17.317 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.548 -18.802 3.599 1.00 0.00 H new ATOM 1539 N HIS A 94 17.360 -16.788 3.608 1.00 0.00 N ATOM 1540 CA HIS A 94 15.973 -17.140 3.326 1.00 0.00 C ATOM 1541 C HIS A 94 15.722 -17.198 1.822 1.00 0.00 C ATOM 1542 O HIS A 94 16.525 -16.708 1.029 1.00 0.00 O ATOM 1543 CB HIS A 94 15.026 -16.128 3.974 1.00 0.00 C ATOM 1544 CG HIS A 94 15.273 -14.715 3.543 1.00 0.00 C ATOM 1545 ND1 HIS A 94 15.317 -14.329 2.220 1.00 0.00 N ATOM 1546 CD2 HIS A 94 15.489 -13.593 4.269 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.550 -13.030 2.151 1.00 0.00 C ATOM 1548 NE2 HIS A 94 15.659 -12.560 3.380 1.00 0.00 N ATOM 0 H HIS A 94 17.647 -15.880 3.243 1.00 0.00 H new ATOM 0 HA HIS A 94 15.782 -18.127 3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.998 -16.398 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.126 -16.191 5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.522 -13.523 5.346 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.637 -12.451 1.243 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.840 -11.588 3.629 1.00 0.00 H new ATOM 1556 N GLY A 95 14.601 -17.801 1.437 1.00 0.00 N ATOM 1557 CA GLY A 95 14.266 -17.913 0.029 1.00 0.00 C ATOM 1558 C GLY A 95 14.531 -19.300 -0.522 1.00 0.00 C ATOM 1559 O GLY A 95 13.674 -19.888 -1.181 1.00 0.00 O ATOM 0 H GLY A 95 13.920 -18.213 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.214 -17.664 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.845 -17.184 -0.538 1.00 0.00 H new ATOM 1563 N TRP A 96 15.722 -19.823 -0.253 1.00 0.00 N ATOM 1564 CA TRP A 96 16.099 -21.150 -0.729 1.00 0.00 C ATOM 1565 C TRP A 96 15.415 -22.237 0.092 1.00 0.00 C ATOM 1566 O TRP A 96 14.862 -23.188 -0.459 1.00 0.00 O ATOM 1567 CB TRP A 96 17.617 -21.324 -0.666 1.00 0.00 C ATOM 1568 CG TRP A 96 18.123 -21.628 0.712 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.618 -20.734 1.618 1.00 0.00 C ATOM 1570 CD2 TRP A 96 18.186 -22.914 1.337 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.984 -21.388 2.770 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.729 -22.725 2.624 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.835 -24.206 0.937 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.928 -23.781 3.509 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 18.034 -25.253 1.817 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.576 -25.036 3.091 1.00 0.00 C ATOM 0 H TRP A 96 16.443 -19.349 0.292 1.00 0.00 H new ATOM 0 HA TRP A 96 15.773 -21.244 -1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 96 17.912 -22.129 -1.339 1.00 0.00 H new ATOM 0 HB3 TRP A 96 18.095 -20.414 -1.029 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.708 -19.670 1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.382 -20.948 3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 96 17.416 -24.383 -0.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.346 -23.616 4.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.767 -26.256 1.518 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.719 -25.875 3.756 1.00 0.00 H new ATOM 1587 N GLN A 97 15.456 -22.089 1.413 1.00 0.00 N ATOM 1588 CA GLN A 97 14.840 -23.060 2.309 1.00 0.00 C ATOM 1589 C GLN A 97 13.437 -23.425 1.835 1.00 0.00 C ATOM 1590 O GLN A 97 12.742 -22.606 1.235 1.00 0.00 O ATOM 1591 CB GLN A 97 14.781 -22.506 3.733 1.00 0.00 C ATOM 1592 CG GLN A 97 15.755 -23.178 4.688 1.00 0.00 C ATOM 1593 CD GLN A 97 15.857 -22.459 6.019 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.428 -22.975 7.051 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.428 -21.260 6.002 1.00 0.00 N ATOM 0 H GLN A 97 15.909 -21.307 1.885 1.00 0.00 H new ATOM 0 HA GLN A 97 15.452 -23.962 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.990 -21.437 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.768 -22.623 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.439 -24.207 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.741 -23.220 4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.770 -20.870 5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.525 -20.729 6.867 1.00 0.00 H new