USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 30 GLN : amide:sc= -6.2! C(o=-21!,f=-16!) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -14.6! C(o=-21!,f=-21!) USER MOD Set 2.1: A 34 ASN : amide:sc= -10.6! C(o=-24!,f=-27!) USER MOD Set 2.2: A 36 ASN : amide:sc= -13.3! C(o=-24!,f=-31!) USER MOD Single : A 26 SER OG : rot -81:sc= 0.139 USER MOD Single : A 31 CYS SG : rot -33:sc= 0.0719 USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -0.844 (180deg=-2.68!) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= 0.409 (180deg=-0.0959) USER MOD Single : A 48 THR OG1 : rot -68:sc= 1.04 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0395) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0759 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -0.0778 (180deg=-0.81) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -6.284 6.126 -1.266 1.00 0.00 N ATOM 116 CA PRO A 24 -5.492 7.359 -1.088 1.00 0.00 C ATOM 117 C PRO A 24 -4.392 7.081 -0.068 1.00 0.00 C ATOM 118 O PRO A 24 -4.297 7.727 0.957 1.00 0.00 O ATOM 119 CB PRO A 24 -6.508 8.368 -0.556 1.00 0.00 C ATOM 120 CG PRO A 24 -7.568 7.533 0.085 1.00 0.00 C ATOM 121 CD PRO A 24 -7.627 6.241 -0.690 1.00 0.00 C ATOM 0 HA PRO A 24 -5.006 7.720 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.052 9.049 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.917 8.980 -1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.333 7.346 1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.531 8.044 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.860 5.395 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.394 6.272 -1.464 1.00 0.00 H new ATOM 129 N ILE A 25 -3.562 6.110 -0.346 1.00 0.00 N ATOM 130 CA ILE A 25 -2.467 5.769 0.599 1.00 0.00 C ATOM 131 C ILE A 25 -1.385 6.845 0.529 1.00 0.00 C ATOM 132 O ILE A 25 -0.415 6.808 1.260 1.00 0.00 O ATOM 133 CB ILE A 25 -1.918 4.409 0.132 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.897 4.618 -0.995 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.067 3.531 -0.376 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.632 3.293 -1.713 1.00 0.00 C ATOM 0 H ILE A 25 -3.598 5.539 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.811 5.716 1.632 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.431 3.916 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.271 5.357 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.033 5.012 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.672 2.570 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.786 3.372 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.561 4.026 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.093 3.450 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.238 2.567 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.563 2.917 -2.138 1.00 0.00 H new ATOM 148 N SER A 26 -1.552 7.783 -0.367 1.00 0.00 N ATOM 149 CA SER A 26 -0.548 8.876 -0.535 1.00 0.00 C ATOM 150 C SER A 26 0.172 9.179 0.781 1.00 0.00 C ATOM 151 O SER A 26 1.349 8.920 0.926 1.00 0.00 O ATOM 152 CB SER A 26 -1.354 10.094 -0.991 1.00 0.00 C ATOM 153 OG SER A 26 -2.716 9.728 -1.172 1.00 0.00 O ATOM 0 H SER A 26 -2.352 7.839 -0.998 1.00 0.00 H new ATOM 0 HA SER A 26 0.225 8.598 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.277 10.891 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.945 10.484 -1.923 1.00 0.00 H new ATOM 0 HG SER A 26 -2.826 9.298 -2.046 1.00 0.00 H new ATOM 159 N ARG A 27 -0.522 9.727 1.736 1.00 0.00 N ATOM 160 CA ARG A 27 0.133 10.058 3.038 1.00 0.00 C ATOM 161 C ARG A 27 0.236 8.821 3.931 1.00 0.00 C ATOM 162 O ARG A 27 1.094 8.736 4.788 1.00 0.00 O ATOM 163 CB ARG A 27 -0.777 11.100 3.684 1.00 0.00 C ATOM 164 CG ARG A 27 -0.674 12.419 2.915 1.00 0.00 C ATOM 165 CD ARG A 27 -2.004 13.170 3.016 1.00 0.00 C ATOM 166 NE ARG A 27 -2.015 14.099 1.852 1.00 0.00 N ATOM 167 CZ ARG A 27 -2.826 15.125 1.839 1.00 0.00 C ATOM 168 NH1 ARG A 27 -3.622 15.345 2.851 1.00 0.00 N ATOM 169 NH2 ARG A 27 -2.842 15.929 0.812 1.00 0.00 N ATOM 0 H ARG A 27 -1.513 9.961 1.676 1.00 0.00 H new ATOM 0 HA ARG A 27 1.150 10.424 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.808 10.747 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.492 11.251 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.133 13.029 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.431 12.226 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.849 12.482 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.078 13.716 3.957 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.389 13.935 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.612 14.716 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.254 16.146 2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.222 15.757 0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.474 16.729 0.801 1.00 0.00 H new ATOM 183 N LEU A 28 -0.634 7.869 3.755 1.00 0.00 N ATOM 184 CA LEU A 28 -0.583 6.653 4.614 1.00 0.00 C ATOM 185 C LEU A 28 0.842 6.093 4.689 1.00 0.00 C ATOM 186 O LEU A 28 1.497 6.187 5.708 1.00 0.00 O ATOM 187 CB LEU A 28 -1.523 5.649 3.951 1.00 0.00 C ATOM 188 CG LEU A 28 -2.123 4.741 5.026 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.088 5.547 5.901 1.00 0.00 C ATOM 190 CD2 LEU A 28 -2.883 3.592 4.362 1.00 0.00 C ATOM 0 H LEU A 28 -1.377 7.878 3.056 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.881 6.873 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.315 6.172 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.980 5.054 3.216 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.320 4.339 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.514 4.898 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.549 6.365 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.888 5.952 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.310 2.946 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.683 3.996 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.199 3.014 3.741 1.00 0.00 H new ATOM 202 N GLU A 29 1.328 5.499 3.630 1.00 0.00 N ATOM 203 CA GLU A 29 2.707 4.926 3.674 1.00 0.00 C ATOM 204 C GLU A 29 3.759 6.017 3.450 1.00 0.00 C ATOM 205 O GLU A 29 4.844 5.954 3.993 1.00 0.00 O ATOM 206 CB GLU A 29 2.749 3.872 2.548 1.00 0.00 C ATOM 207 CG GLU A 29 3.095 4.503 1.191 1.00 0.00 C ATOM 208 CD GLU A 29 3.716 3.433 0.290 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.530 2.672 0.785 1.00 0.00 O ATOM 210 OE2 GLU A 29 3.371 3.394 -0.879 1.00 0.00 O ATOM 0 H GLU A 29 0.835 5.386 2.744 1.00 0.00 H new ATOM 0 HA GLU A 29 2.931 4.484 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.487 3.108 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.783 3.372 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.198 4.913 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.790 5.331 1.327 1.00 0.00 H new ATOM 217 N GLN A 30 3.465 7.010 2.650 1.00 0.00 N ATOM 218 CA GLN A 30 4.482 8.072 2.410 1.00 0.00 C ATOM 219 C GLN A 30 4.780 8.814 3.711 1.00 0.00 C ATOM 220 O GLN A 30 5.888 9.250 3.948 1.00 0.00 O ATOM 221 CB GLN A 30 3.862 9.023 1.389 1.00 0.00 C ATOM 222 CG GLN A 30 4.936 9.984 0.874 1.00 0.00 C ATOM 223 CD GLN A 30 4.506 10.559 -0.478 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.380 10.988 -0.638 1.00 0.00 O ATOM 225 NE2 GLN A 30 5.362 10.586 -1.462 1.00 0.00 N ATOM 0 H GLN A 30 2.578 7.129 2.160 1.00 0.00 H new ATOM 0 HA GLN A 30 5.422 7.656 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.436 8.457 0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.046 9.583 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.090 10.790 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.887 9.461 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.307 10.226 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.087 10.967 -2.367 1.00 0.00 H new ATOM 234 N CYS A 31 3.801 8.950 4.561 1.00 0.00 N ATOM 235 CA CYS A 31 4.039 9.653 5.849 1.00 0.00 C ATOM 236 C CYS A 31 4.752 8.699 6.805 1.00 0.00 C ATOM 237 O CYS A 31 5.290 9.100 7.818 1.00 0.00 O ATOM 238 CB CYS A 31 2.651 10.011 6.376 1.00 0.00 C ATOM 239 SG CYS A 31 2.810 11.047 7.852 1.00 0.00 S ATOM 0 H CYS A 31 2.851 8.606 4.419 1.00 0.00 H new ATOM 0 HA CYS A 31 4.660 10.543 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.085 10.538 5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.096 9.103 6.614 1.00 0.00 H new ATOM 0 HG CYS A 31 3.877 10.703 8.511 1.00 0.00 H new ATOM 245 N GLY A 32 4.773 7.436 6.475 1.00 0.00 N ATOM 246 CA GLY A 32 5.467 6.454 7.346 1.00 0.00 C ATOM 247 C GLY A 32 4.472 5.442 7.915 1.00 0.00 C ATOM 248 O GLY A 32 4.291 5.354 9.114 1.00 0.00 O ATOM 0 H GLY A 32 4.339 7.045 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.237 5.934 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.971 6.974 8.161 1.00 0.00 H new ATOM 252 N ILE A 33 3.848 4.647 7.085 1.00 0.00 N ATOM 253 CA ILE A 33 2.915 3.633 7.635 1.00 0.00 C ATOM 254 C ILE A 33 3.764 2.470 8.142 1.00 0.00 C ATOM 255 O ILE A 33 4.721 2.671 8.864 1.00 0.00 O ATOM 256 CB ILE A 33 1.979 3.224 6.472 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.787 2.446 7.042 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.713 2.351 5.439 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.248 3.431 7.589 1.00 0.00 C ATOM 0 H ILE A 33 3.944 4.658 6.070 1.00 0.00 H new ATOM 0 HA ILE A 33 2.306 3.993 8.464 1.00 0.00 H new ATOM 0 HB ILE A 33 1.639 4.129 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.340 1.825 6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.121 1.776 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.026 2.082 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.555 2.907 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.079 1.445 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.096 2.880 7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.204 4.033 8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.590 4.083 6.785 1.00 0.00 H new ATOM 271 N ASN A 34 3.461 1.273 7.769 1.00 0.00 N ATOM 272 CA ASN A 34 4.298 0.134 8.235 1.00 0.00 C ATOM 273 C ASN A 34 5.554 0.037 7.358 1.00 0.00 C ATOM 274 O ASN A 34 6.053 1.031 6.870 1.00 0.00 O ATOM 275 CB ASN A 34 3.421 -1.113 8.097 1.00 0.00 C ATOM 276 CG ASN A 34 2.955 -1.269 6.650 1.00 0.00 C ATOM 277 OD1 ASN A 34 2.032 -0.606 6.223 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.551 -2.131 5.874 1.00 0.00 N ATOM 0 H ASN A 34 2.677 1.026 7.166 1.00 0.00 H new ATOM 0 HA ASN A 34 4.633 0.253 9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.980 -1.997 8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.558 -1.036 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.242 -2.248 4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.327 -2.688 6.232 1.00 0.00 H new ATOM 285 N ALA A 35 6.077 -1.139 7.162 1.00 0.00 N ATOM 286 CA ALA A 35 7.308 -1.278 6.327 1.00 0.00 C ATOM 287 C ALA A 35 7.098 -0.692 4.925 1.00 0.00 C ATOM 288 O ALA A 35 8.042 -0.373 4.230 1.00 0.00 O ATOM 289 CB ALA A 35 7.549 -2.782 6.223 1.00 0.00 C ATOM 0 H ALA A 35 5.709 -2.011 7.542 1.00 0.00 H new ATOM 0 HA ALA A 35 8.149 -0.744 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.440 -2.967 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.691 -3.198 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.688 -3.257 5.752 1.00 0.00 H new ATOM 295 N ASN A 36 5.873 -0.570 4.494 1.00 0.00 N ATOM 296 CA ASN A 36 5.614 -0.033 3.125 1.00 0.00 C ATOM 297 C ASN A 36 6.494 1.164 2.820 1.00 0.00 C ATOM 298 O ASN A 36 7.327 1.114 1.937 1.00 0.00 O ATOM 299 CB ASN A 36 4.156 0.419 3.122 1.00 0.00 C ATOM 300 CG ASN A 36 3.235 -0.798 3.119 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.659 -1.893 2.825 1.00 0.00 O ATOM 302 ND2 ASN A 36 1.979 -0.655 3.441 1.00 0.00 N ATOM 0 H ASN A 36 5.040 -0.818 5.028 1.00 0.00 H new ATOM 0 HA ASN A 36 5.826 -0.795 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.956 1.036 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.959 1.037 2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.358 -1.464 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.618 0.266 3.689 1.00 0.00 H new ATOM 309 N ASP A 37 6.278 2.246 3.518 1.00 0.00 N ATOM 310 CA ASP A 37 7.055 3.487 3.260 1.00 0.00 C ATOM 311 C ASP A 37 8.408 3.173 2.622 1.00 0.00 C ATOM 312 O ASP A 37 8.619 3.385 1.440 1.00 0.00 O ATOM 313 CB ASP A 37 7.257 4.116 4.638 1.00 0.00 C ATOM 314 CG ASP A 37 8.175 5.333 4.513 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.325 5.149 4.151 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.712 6.430 4.779 1.00 0.00 O ATOM 0 H ASP A 37 5.587 2.321 4.265 1.00 0.00 H new ATOM 0 HA ASP A 37 6.534 4.149 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.296 4.413 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.692 3.387 5.322 1.00 0.00 H new ATOM 321 N VAL A 38 9.310 2.666 3.401 1.00 0.00 N ATOM 322 CA VAL A 38 10.669 2.337 2.892 1.00 0.00 C ATOM 323 C VAL A 38 10.662 1.392 1.688 1.00 0.00 C ATOM 324 O VAL A 38 11.228 1.688 0.662 1.00 0.00 O ATOM 325 CB VAL A 38 11.358 1.639 4.064 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.850 1.489 3.761 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.178 2.472 5.335 1.00 0.00 C ATOM 0 H VAL A 38 9.164 2.460 4.389 1.00 0.00 H new ATOM 0 HA VAL A 38 11.166 3.245 2.549 1.00 0.00 H new ATOM 0 HB VAL A 38 10.914 0.654 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.343 0.991 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.980 0.894 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.292 2.474 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.670 1.973 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.620 3.458 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.115 2.580 5.552 1.00 0.00 H new ATOM 337 N LYS A 39 10.090 0.234 1.810 1.00 0.00 N ATOM 338 CA LYS A 39 10.153 -0.724 0.671 1.00 0.00 C ATOM 339 C LYS A 39 9.104 -0.432 -0.394 1.00 0.00 C ATOM 340 O LYS A 39 9.418 -0.141 -1.541 1.00 0.00 O ATOM 341 CB LYS A 39 9.885 -2.093 1.301 1.00 0.00 C ATOM 342 CG LYS A 39 10.716 -2.261 2.578 1.00 0.00 C ATOM 343 CD LYS A 39 9.871 -2.960 3.644 1.00 0.00 C ATOM 344 CE LYS A 39 10.716 -4.029 4.338 1.00 0.00 C ATOM 345 NZ LYS A 39 9.735 -5.021 4.860 1.00 0.00 N ATOM 0 H LYS A 39 9.587 -0.092 2.635 1.00 0.00 H new ATOM 0 HA LYS A 39 11.116 -0.661 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.825 -2.193 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.132 -2.883 0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.612 -2.845 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.047 -1.288 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.512 -2.234 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.992 -3.415 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.414 -4.494 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.310 -3.600 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.142 -5.976 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.512 -4.800 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.864 -4.980 4.293 1.00 0.00 H new ATOM 359 N LYS A 40 7.865 -0.548 -0.023 1.00 0.00 N ATOM 360 CA LYS A 40 6.764 -0.339 -0.991 1.00 0.00 C ATOM 361 C LYS A 40 7.014 0.848 -1.923 1.00 0.00 C ATOM 362 O LYS A 40 7.072 0.689 -3.121 1.00 0.00 O ATOM 363 CB LYS A 40 5.529 -0.081 -0.147 1.00 0.00 C ATOM 364 CG LYS A 40 4.736 -1.384 -0.001 1.00 0.00 C ATOM 365 CD LYS A 40 3.328 -1.193 -0.561 1.00 0.00 C ATOM 366 CE LYS A 40 2.709 0.072 0.029 1.00 0.00 C ATOM 367 NZ LYS A 40 2.115 0.790 -1.133 1.00 0.00 N ATOM 0 H LYS A 40 7.566 -0.782 0.924 1.00 0.00 H new ATOM 0 HA LYS A 40 6.663 -1.209 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.817 0.295 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.909 0.685 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.242 -2.191 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.685 -1.674 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.365 -1.119 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.710 -2.058 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.950 -0.170 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.461 0.683 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.329 1.805 -1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.517 0.414 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.084 0.653 -1.136 1.00 0.00 H new ATOM 381 N LEU A 41 7.097 2.042 -1.397 1.00 0.00 N ATOM 382 CA LEU A 41 7.248 3.228 -2.295 1.00 0.00 C ATOM 383 C LEU A 41 8.694 3.599 -2.655 1.00 0.00 C ATOM 384 O LEU A 41 8.909 4.364 -3.574 1.00 0.00 O ATOM 385 CB LEU A 41 6.600 4.366 -1.507 1.00 0.00 C ATOM 386 CG LEU A 41 7.635 5.008 -0.576 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.218 6.265 -1.225 1.00 0.00 C ATOM 388 CD2 LEU A 41 6.973 5.377 0.747 1.00 0.00 C ATOM 0 H LEU A 41 7.067 2.247 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 41 6.791 3.016 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.200 5.114 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.760 3.986 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 41 8.440 4.296 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.952 6.713 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.700 5.999 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.418 6.980 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.710 5.833 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.163 6.083 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.572 4.479 1.216 1.00 0.00 H new ATOM 400 N GLU A 42 9.688 3.152 -1.945 1.00 0.00 N ATOM 401 CA GLU A 42 11.053 3.621 -2.314 1.00 0.00 C ATOM 402 C GLU A 42 11.545 3.035 -3.636 1.00 0.00 C ATOM 403 O GLU A 42 12.090 3.749 -4.454 1.00 0.00 O ATOM 404 CB GLU A 42 11.978 3.218 -1.171 1.00 0.00 C ATOM 405 CG GLU A 42 13.340 3.887 -1.357 1.00 0.00 C ATOM 406 CD GLU A 42 14.441 2.944 -0.868 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.739 2.976 0.315 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.968 2.207 -1.685 1.00 0.00 O ATOM 0 H GLU A 42 9.625 2.508 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 42 11.039 4.701 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.543 3.513 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.093 2.134 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.496 4.132 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.376 4.824 -0.802 1.00 0.00 H new ATOM 415 N GLU A 43 11.388 1.765 -3.877 1.00 0.00 N ATOM 416 CA GLU A 43 11.894 1.238 -5.173 1.00 0.00 C ATOM 417 C GLU A 43 11.120 1.895 -6.320 1.00 0.00 C ATOM 418 O GLU A 43 11.645 2.117 -7.393 1.00 0.00 O ATOM 419 CB GLU A 43 11.662 -0.276 -5.105 1.00 0.00 C ATOM 420 CG GLU A 43 10.941 -0.771 -6.366 1.00 0.00 C ATOM 421 CD GLU A 43 11.804 -0.488 -7.598 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.004 -0.687 -7.515 1.00 0.00 O ATOM 423 OE2 GLU A 43 11.249 -0.074 -8.602 1.00 0.00 O ATOM 0 H GLU A 43 10.946 1.087 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 43 12.948 1.454 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.617 -0.791 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.070 -0.519 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.742 -1.840 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.976 -0.274 -6.464 1.00 0.00 H new ATOM 430 N ALA A 44 9.875 2.196 -6.099 1.00 0.00 N ATOM 431 CA ALA A 44 9.063 2.827 -7.172 1.00 0.00 C ATOM 432 C ALA A 44 8.348 4.068 -6.633 1.00 0.00 C ATOM 433 O ALA A 44 8.576 5.172 -7.088 1.00 0.00 O ATOM 434 CB ALA A 44 8.056 1.751 -7.570 1.00 0.00 C ATOM 0 H ALA A 44 9.383 2.032 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 44 9.666 3.158 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.411 2.132 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.588 0.869 -7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.449 1.483 -6.705 1.00 0.00 H new ATOM 440 N GLY A 45 7.489 3.898 -5.666 1.00 0.00 N ATOM 441 CA GLY A 45 6.765 5.072 -5.100 1.00 0.00 C ATOM 442 C GLY A 45 5.255 4.863 -5.235 1.00 0.00 C ATOM 443 O GLY A 45 4.536 5.742 -5.667 1.00 0.00 O ATOM 0 H GLY A 45 7.257 2.999 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.031 5.204 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.064 5.981 -5.621 1.00 0.00 H new ATOM 447 N PHE A 46 4.768 3.709 -4.870 1.00 0.00 N ATOM 448 CA PHE A 46 3.282 3.464 -4.988 1.00 0.00 C ATOM 449 C PHE A 46 2.527 4.175 -3.865 1.00 0.00 C ATOM 450 O PHE A 46 1.322 4.062 -3.746 1.00 0.00 O ATOM 451 CB PHE A 46 3.081 1.954 -4.859 1.00 0.00 C ATOM 452 CG PHE A 46 4.032 1.247 -5.774 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.288 0.914 -5.300 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.668 0.935 -7.088 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.200 0.270 -6.120 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.582 0.284 -7.923 1.00 0.00 C ATOM 457 CZ PHE A 46 5.853 -0.048 -7.438 1.00 0.00 C ATOM 0 H PHE A 46 5.314 2.931 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 46 2.903 3.845 -5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.249 1.640 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.054 1.690 -5.109 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.560 1.158 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.687 1.195 -7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.179 0.013 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.308 0.038 -8.938 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.564 -0.548 -8.079 1.00 0.00 H new ATOM 467 N HIS A 47 3.218 4.897 -3.036 1.00 0.00 N ATOM 468 CA HIS A 47 2.537 5.603 -1.916 1.00 0.00 C ATOM 469 C HIS A 47 1.572 6.667 -2.446 1.00 0.00 C ATOM 470 O HIS A 47 1.800 7.848 -2.293 1.00 0.00 O ATOM 471 CB HIS A 47 3.667 6.250 -1.112 1.00 0.00 C ATOM 472 CG HIS A 47 4.472 7.154 -2.005 1.00 0.00 C ATOM 473 ND1 HIS A 47 4.171 7.329 -3.347 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.569 7.944 -1.763 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.068 8.193 -3.856 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.942 8.599 -2.933 1.00 0.00 N ATOM 0 H HIS A 47 4.228 5.031 -3.083 1.00 0.00 H new ATOM 0 HA HIS A 47 1.939 4.922 -1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.254 6.819 -0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.309 5.480 -0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.067 8.042 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.079 8.518 -4.886 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.717 9.250 -3.058 1.00 0.00 H new ATOM 484 N THR A 48 0.486 6.251 -3.051 1.00 0.00 N ATOM 485 CA THR A 48 -0.517 7.234 -3.574 1.00 0.00 C ATOM 486 C THR A 48 -1.504 6.551 -4.524 1.00 0.00 C ATOM 487 O THR A 48 -1.421 6.691 -5.728 1.00 0.00 O ATOM 488 CB THR A 48 0.280 8.304 -4.327 1.00 0.00 C ATOM 489 OG1 THR A 48 -0.598 9.015 -5.189 1.00 0.00 O ATOM 490 CG2 THR A 48 1.383 7.646 -5.158 1.00 0.00 C ATOM 0 H THR A 48 0.250 5.271 -3.206 1.00 0.00 H new ATOM 0 HA THR A 48 -1.099 7.665 -2.759 1.00 0.00 H new ATOM 0 HB THR A 48 0.734 8.988 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.905 8.421 -5.905 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.945 8.414 -5.690 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.055 7.095 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.936 6.959 -5.877 1.00 0.00 H new ATOM 498 N VAL A 49 -2.445 5.823 -3.989 1.00 0.00 N ATOM 499 CA VAL A 49 -3.451 5.136 -4.849 1.00 0.00 C ATOM 500 C VAL A 49 -2.769 4.166 -5.829 1.00 0.00 C ATOM 501 O VAL A 49 -3.404 3.614 -6.708 1.00 0.00 O ATOM 502 CB VAL A 49 -4.185 6.280 -5.579 1.00 0.00 C ATOM 503 CG1 VAL A 49 -4.514 5.891 -7.027 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.486 6.593 -4.838 1.00 0.00 C ATOM 0 H VAL A 49 -2.561 5.673 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.143 4.520 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.534 7.154 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.031 6.716 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.591 5.671 -7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.154 5.009 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.010 7.401 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.118 5.705 -4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.259 6.897 -3.816 1.00 0.00 H new ATOM 514 N GLU A 50 -1.494 3.935 -5.683 1.00 0.00 N ATOM 515 CA GLU A 50 -0.811 2.986 -6.605 1.00 0.00 C ATOM 516 C GLU A 50 -0.892 1.571 -6.033 1.00 0.00 C ATOM 517 O GLU A 50 -0.348 0.633 -6.582 1.00 0.00 O ATOM 518 CB GLU A 50 0.640 3.460 -6.672 1.00 0.00 C ATOM 519 CG GLU A 50 0.914 4.072 -8.048 1.00 0.00 C ATOM 520 CD GLU A 50 0.698 5.585 -7.986 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.627 6.281 -7.610 1.00 0.00 O ATOM 522 OE2 GLU A 50 -0.392 6.021 -8.318 1.00 0.00 O ATOM 0 H GLU A 50 -0.899 4.359 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.267 2.963 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.830 4.196 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.316 2.624 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.935 3.852 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.252 3.630 -8.793 1.00 0.00 H new ATOM 529 N ALA A 51 -1.573 1.412 -4.930 1.00 0.00 N ATOM 530 CA ALA A 51 -1.698 0.064 -4.317 1.00 0.00 C ATOM 531 C ALA A 51 -2.870 -0.691 -4.951 1.00 0.00 C ATOM 532 O ALA A 51 -3.327 -1.693 -4.439 1.00 0.00 O ATOM 533 CB ALA A 51 -1.967 0.332 -2.836 1.00 0.00 C ATOM 0 H ALA A 51 -2.048 2.162 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.808 -0.548 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.073 -0.616 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.135 0.893 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.885 0.910 -2.732 1.00 0.00 H new ATOM 539 N VAL A 52 -3.359 -0.213 -6.064 1.00 0.00 N ATOM 540 CA VAL A 52 -4.503 -0.899 -6.734 1.00 0.00 C ATOM 541 C VAL A 52 -4.482 -0.629 -8.247 1.00 0.00 C ATOM 542 O VAL A 52 -4.268 -1.526 -9.039 1.00 0.00 O ATOM 543 CB VAL A 52 -5.769 -0.318 -6.081 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.605 1.186 -5.826 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.971 -0.549 -7.003 1.00 0.00 C ATOM 0 H VAL A 52 -3.016 0.622 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.457 -1.982 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.930 -0.819 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.511 1.578 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.758 1.352 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.430 1.698 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.868 -0.138 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.796 -0.056 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.104 -1.618 -7.166 1.00 0.00 H new ATOM 555 N ALA A 53 -4.704 0.592 -8.656 1.00 0.00 N ATOM 556 CA ALA A 53 -4.698 0.903 -10.114 1.00 0.00 C ATOM 557 C ALA A 53 -3.267 1.155 -10.596 1.00 0.00 C ATOM 558 O ALA A 53 -2.841 2.282 -10.749 1.00 0.00 O ATOM 559 CB ALA A 53 -5.544 2.170 -10.250 1.00 0.00 C ATOM 0 H ALA A 53 -4.889 1.386 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.093 0.083 -10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.589 2.466 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.552 1.975 -9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.094 2.972 -9.665 1.00 0.00 H new ATOM 565 N TYR A 54 -2.522 0.112 -10.838 1.00 0.00 N ATOM 566 CA TYR A 54 -1.119 0.285 -11.310 1.00 0.00 C ATOM 567 C TYR A 54 -0.438 -1.082 -11.422 1.00 0.00 C ATOM 568 O TYR A 54 -0.126 -1.547 -12.501 1.00 0.00 O ATOM 569 CB TYR A 54 -0.436 1.139 -10.240 1.00 0.00 C ATOM 570 CG TYR A 54 0.417 2.193 -10.907 1.00 0.00 C ATOM 571 CD1 TYR A 54 -0.187 3.213 -11.653 1.00 0.00 C ATOM 572 CD2 TYR A 54 1.811 2.147 -10.781 1.00 0.00 C ATOM 573 CE1 TYR A 54 0.604 4.187 -12.272 1.00 0.00 C ATOM 574 CE2 TYR A 54 2.602 3.122 -11.401 1.00 0.00 C ATOM 575 CZ TYR A 54 1.998 4.142 -12.147 1.00 0.00 C ATOM 576 OH TYR A 54 2.778 5.103 -12.759 1.00 0.00 O ATOM 0 H TYR A 54 -2.825 -0.856 -10.729 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.067 0.754 -12.292 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.184 1.611 -9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.180 0.511 -9.596 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.262 3.248 -11.750 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.276 1.360 -10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.139 4.974 -12.847 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.677 3.088 -11.304 1.00 0.00 H new ATOM 0 HH TYR A 54 3.723 4.925 -12.571 1.00 0.00 H new ATOM 586 N ALA A 55 -0.211 -1.729 -10.313 1.00 0.00 N ATOM 587 CA ALA A 55 0.444 -3.067 -10.346 1.00 0.00 C ATOM 588 C ALA A 55 -0.109 -3.946 -9.220 1.00 0.00 C ATOM 589 O ALA A 55 -0.659 -3.446 -8.260 1.00 0.00 O ATOM 590 CB ALA A 55 1.931 -2.787 -10.126 1.00 0.00 C ATOM 0 H ALA A 55 -0.452 -1.388 -9.382 1.00 0.00 H new ATOM 0 HA ALA A 55 0.265 -3.594 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.484 -3.726 -10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.301 -2.139 -10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.070 -2.295 -9.163 1.00 0.00 H new ATOM 596 N PRO A 56 0.062 -5.230 -9.374 1.00 0.00 N ATOM 597 CA PRO A 56 -0.421 -6.189 -8.351 1.00 0.00 C ATOM 598 C PRO A 56 0.434 -6.074 -7.089 1.00 0.00 C ATOM 599 O PRO A 56 1.635 -6.250 -7.125 1.00 0.00 O ATOM 600 CB PRO A 56 -0.238 -7.550 -9.018 1.00 0.00 C ATOM 601 CG PRO A 56 0.837 -7.336 -10.034 1.00 0.00 C ATOM 602 CD PRO A 56 0.717 -5.907 -10.499 1.00 0.00 C ATOM 0 HA PRO A 56 -1.452 -6.015 -8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.050 -8.311 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.162 -7.889 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.820 -7.521 -9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.722 -8.026 -10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.693 -5.473 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.126 -5.831 -11.412 1.00 0.00 H new ATOM 610 N LYS A 57 -0.177 -5.768 -5.977 1.00 0.00 N ATOM 611 CA LYS A 57 0.602 -5.630 -4.714 1.00 0.00 C ATOM 612 C LYS A 57 1.661 -6.730 -4.615 1.00 0.00 C ATOM 613 O LYS A 57 2.734 -6.515 -4.096 1.00 0.00 O ATOM 614 CB LYS A 57 -0.427 -5.765 -3.590 1.00 0.00 C ATOM 615 CG LYS A 57 -1.344 -6.958 -3.870 1.00 0.00 C ATOM 616 CD LYS A 57 -2.797 -6.481 -3.923 1.00 0.00 C ATOM 617 CE LYS A 57 -3.404 -6.537 -2.519 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.808 -6.990 -2.726 1.00 0.00 N ATOM 0 H LYS A 57 -1.180 -5.608 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 57 1.133 -4.680 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.080 -5.900 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.016 -4.851 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.069 -7.428 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.225 -7.712 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.843 -5.463 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.372 -7.108 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.856 -7.229 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.371 -5.561 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.291 -7.053 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.307 -6.309 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.808 -7.925 -3.182 1.00 0.00 H new ATOM 632 N LYS A 58 1.372 -7.903 -5.112 1.00 0.00 N ATOM 633 CA LYS A 58 2.369 -9.013 -5.044 1.00 0.00 C ATOM 634 C LYS A 58 3.647 -8.632 -5.804 1.00 0.00 C ATOM 635 O LYS A 58 4.741 -9.010 -5.438 1.00 0.00 O ATOM 636 CB LYS A 58 1.673 -10.203 -5.716 1.00 0.00 C ATOM 637 CG LYS A 58 2.717 -11.210 -6.208 1.00 0.00 C ATOM 638 CD LYS A 58 2.032 -12.538 -6.539 1.00 0.00 C ATOM 639 CE LYS A 58 3.091 -13.581 -6.903 1.00 0.00 C ATOM 640 NZ LYS A 58 2.924 -14.668 -5.899 1.00 0.00 N ATOM 0 H LYS A 58 0.488 -8.141 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 58 2.671 -9.238 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.995 -10.684 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.068 -9.856 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.225 -10.821 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.479 -11.363 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.447 -12.881 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.337 -12.404 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.945 -13.954 -7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.094 -13.156 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.617 -15.421 -6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.076 -14.285 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.962 -15.058 -5.967 1.00 0.00 H new ATOM 654 N GLU A 59 3.511 -7.886 -6.856 1.00 0.00 N ATOM 655 CA GLU A 59 4.713 -7.481 -7.643 1.00 0.00 C ATOM 656 C GLU A 59 5.405 -6.314 -6.957 1.00 0.00 C ATOM 657 O GLU A 59 6.605 -6.310 -6.776 1.00 0.00 O ATOM 658 CB GLU A 59 4.174 -7.069 -9.013 1.00 0.00 C ATOM 659 CG GLU A 59 5.340 -6.702 -9.932 1.00 0.00 C ATOM 660 CD GLU A 59 5.871 -7.965 -10.610 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.295 -8.365 -11.609 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.845 -8.512 -10.119 1.00 0.00 O ATOM 0 H GLU A 59 2.621 -7.536 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 59 5.448 -8.282 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.597 -7.885 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.498 -6.220 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.013 -5.983 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.133 -6.224 -9.358 1.00 0.00 H new ATOM 669 N LEU A 60 4.661 -5.334 -6.551 1.00 0.00 N ATOM 670 CA LEU A 60 5.287 -4.191 -5.852 1.00 0.00 C ATOM 671 C LEU A 60 6.012 -4.727 -4.613 1.00 0.00 C ATOM 672 O LEU A 60 7.210 -4.586 -4.472 1.00 0.00 O ATOM 673 CB LEU A 60 4.107 -3.262 -5.507 1.00 0.00 C ATOM 674 CG LEU A 60 4.128 -2.832 -4.033 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.477 -2.186 -3.698 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.009 -1.817 -3.798 1.00 0.00 C ATOM 0 H LEU A 60 3.650 -5.275 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 60 6.032 -3.650 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.143 -2.378 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.168 -3.772 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 60 3.982 -3.705 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.485 -1.883 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.278 -2.904 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.628 -1.311 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.015 -1.505 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.166 -0.948 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.048 -2.274 -4.035 1.00 0.00 H new ATOM 688 N ILE A 61 5.292 -5.347 -3.719 1.00 0.00 N ATOM 689 CA ILE A 61 5.934 -5.898 -2.496 1.00 0.00 C ATOM 690 C ILE A 61 7.173 -6.676 -2.893 1.00 0.00 C ATOM 691 O ILE A 61 8.138 -6.750 -2.159 1.00 0.00 O ATOM 692 CB ILE A 61 4.895 -6.827 -1.909 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.536 -7.873 -2.965 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.665 -6.007 -1.522 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.505 -9.052 -2.848 1.00 0.00 C ATOM 0 H ILE A 61 4.285 -5.495 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 61 6.241 -5.128 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 61 5.275 -7.330 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.510 -8.213 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.593 -7.436 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.908 -6.666 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.946 -5.255 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.262 -5.515 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.256 -9.803 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.525 -8.702 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.425 -9.491 -1.854 1.00 0.00 H new ATOM 707 N ASN A 62 7.165 -7.242 -4.069 1.00 0.00 N ATOM 708 CA ASN A 62 8.357 -7.994 -4.527 1.00 0.00 C ATOM 709 C ASN A 62 9.609 -7.147 -4.300 1.00 0.00 C ATOM 710 O ASN A 62 10.712 -7.655 -4.320 1.00 0.00 O ATOM 711 CB ASN A 62 8.140 -8.234 -6.021 1.00 0.00 C ATOM 712 CG ASN A 62 9.027 -9.392 -6.486 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.605 -10.091 -5.679 1.00 0.00 O ATOM 714 ND2 ASN A 62 9.160 -9.623 -7.763 1.00 0.00 N ATOM 0 H ASN A 62 6.386 -7.214 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 62 8.489 -8.932 -3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.092 -8.464 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.378 -7.331 -6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.750 -10.391 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.674 -9.036 -8.441 1.00 0.00 H new ATOM 721 N ILE A 63 9.455 -5.857 -4.082 1.00 0.00 N ATOM 722 CA ILE A 63 10.658 -5.007 -3.853 1.00 0.00 C ATOM 723 C ILE A 63 11.655 -5.736 -2.956 1.00 0.00 C ATOM 724 O ILE A 63 12.575 -6.381 -3.421 1.00 0.00 O ATOM 725 CB ILE A 63 10.118 -3.739 -3.188 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.693 -2.773 -4.280 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.203 -3.077 -2.331 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.604 -1.848 -3.748 1.00 0.00 C ATOM 0 H ILE A 63 8.560 -5.369 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 63 11.195 -4.775 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 63 9.275 -3.997 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.549 -2.188 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.325 -3.325 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.801 -2.177 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.529 -3.771 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.052 -2.812 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.300 -1.155 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.745 -2.441 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.988 -1.286 -2.897 1.00 0.00 H new ATOM 740 N LYS A 64 11.473 -5.644 -1.682 1.00 0.00 N ATOM 741 CA LYS A 64 12.403 -6.336 -0.747 1.00 0.00 C ATOM 742 C LYS A 64 12.029 -7.816 -0.650 1.00 0.00 C ATOM 743 O LYS A 64 12.742 -8.610 -0.069 1.00 0.00 O ATOM 744 CB LYS A 64 12.228 -5.631 0.597 1.00 0.00 C ATOM 745 CG LYS A 64 13.223 -4.472 0.686 1.00 0.00 C ATOM 746 CD LYS A 64 14.469 -4.924 1.449 1.00 0.00 C ATOM 747 CE LYS A 64 14.571 -4.149 2.764 1.00 0.00 C ATOM 748 NZ LYS A 64 14.223 -5.139 3.820 1.00 0.00 N ATOM 0 H LYS A 64 10.720 -5.119 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 64 13.440 -6.292 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.208 -5.260 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.394 -6.333 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.498 -4.138 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.763 -3.622 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.418 -5.994 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.360 -4.754 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.575 -3.751 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.887 -3.301 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.188 -4.663 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.294 -5.558 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.944 -5.889 3.844 1.00 0.00 H new ATOM 762 N GLY A 65 10.923 -8.198 -1.231 1.00 0.00 N ATOM 763 CA GLY A 65 10.518 -9.631 -1.192 1.00 0.00 C ATOM 764 C GLY A 65 9.325 -9.832 -0.254 1.00 0.00 C ATOM 765 O GLY A 65 9.135 -10.904 0.287 1.00 0.00 O ATOM 0 H GLY A 65 10.284 -7.579 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.258 -9.968 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.357 -10.242 -0.858 1.00 0.00 H new ATOM 769 N ILE A 66 8.516 -8.828 -0.045 1.00 0.00 N ATOM 770 CA ILE A 66 7.354 -9.012 0.863 1.00 0.00 C ATOM 771 C ILE A 66 6.135 -9.532 0.090 1.00 0.00 C ATOM 772 O ILE A 66 6.244 -10.379 -0.775 1.00 0.00 O ATOM 773 CB ILE A 66 7.039 -7.633 1.462 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.297 -6.762 1.590 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.449 -7.856 2.845 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.223 -5.591 0.603 1.00 0.00 C ATOM 0 H ILE A 66 8.609 -7.901 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 66 7.587 -9.742 1.638 1.00 0.00 H new ATOM 0 HB ILE A 66 6.344 -7.112 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.387 -6.385 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.186 -7.361 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.213 -6.894 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.539 -8.450 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.171 -8.384 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.119 -4.977 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.155 -5.976 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.343 -4.986 0.822 1.00 0.00 H new ATOM 788 N SER A 67 4.977 -9.024 0.416 1.00 0.00 N ATOM 789 CA SER A 67 3.715 -9.447 -0.253 1.00 0.00 C ATOM 790 C SER A 67 2.572 -8.713 0.439 1.00 0.00 C ATOM 791 O SER A 67 2.680 -7.541 0.755 1.00 0.00 O ATOM 792 CB SER A 67 3.613 -10.956 -0.018 1.00 0.00 C ATOM 793 OG SER A 67 3.518 -11.211 1.377 1.00 0.00 O ATOM 0 H SER A 67 4.852 -8.314 1.138 1.00 0.00 H new ATOM 0 HA SER A 67 3.684 -9.224 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.740 -11.357 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.486 -11.460 -0.432 1.00 0.00 H new ATOM 0 HG SER A 67 3.451 -12.177 1.529 1.00 0.00 H new ATOM 799 N GLU A 68 1.497 -9.381 0.731 1.00 0.00 N ATOM 800 CA GLU A 68 0.402 -8.688 1.452 1.00 0.00 C ATOM 801 C GLU A 68 0.954 -8.186 2.791 1.00 0.00 C ATOM 802 O GLU A 68 0.370 -7.349 3.448 1.00 0.00 O ATOM 803 CB GLU A 68 -0.678 -9.750 1.665 1.00 0.00 C ATOM 804 CG GLU A 68 -1.853 -9.478 0.723 1.00 0.00 C ATOM 805 CD GLU A 68 -2.414 -10.804 0.209 1.00 0.00 C ATOM 806 OE1 GLU A 68 -3.275 -11.358 0.876 1.00 0.00 O ATOM 807 OE2 GLU A 68 -1.976 -11.245 -0.840 1.00 0.00 O ATOM 0 H GLU A 68 1.330 -10.362 0.506 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.001 -7.832 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.269 -10.743 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.017 -9.736 2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.630 -8.921 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.526 -8.861 -0.114 1.00 0.00 H new ATOM 814 N ALA A 69 2.087 -8.706 3.197 1.00 0.00 N ATOM 815 CA ALA A 69 2.694 -8.281 4.490 1.00 0.00 C ATOM 816 C ALA A 69 2.560 -6.770 4.688 1.00 0.00 C ATOM 817 O ALA A 69 1.699 -6.300 5.409 1.00 0.00 O ATOM 818 CB ALA A 69 4.167 -8.675 4.384 1.00 0.00 C ATOM 0 H ALA A 69 2.617 -9.410 2.683 1.00 0.00 H new ATOM 0 HA ALA A 69 2.200 -8.750 5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.686 -8.394 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.246 -9.752 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.621 -8.160 3.538 1.00 0.00 H new ATOM 824 N LYS A 70 3.402 -6.006 4.054 1.00 0.00 N ATOM 825 CA LYS A 70 3.326 -4.531 4.205 1.00 0.00 C ATOM 826 C LYS A 70 2.237 -3.974 3.290 1.00 0.00 C ATOM 827 O LYS A 70 1.475 -3.108 3.672 1.00 0.00 O ATOM 828 CB LYS A 70 4.705 -4.016 3.784 1.00 0.00 C ATOM 829 CG LYS A 70 5.798 -4.919 4.364 1.00 0.00 C ATOM 830 CD LYS A 70 5.541 -5.154 5.856 1.00 0.00 C ATOM 831 CE LYS A 70 6.799 -5.737 6.503 1.00 0.00 C ATOM 832 NZ LYS A 70 6.359 -7.025 7.109 1.00 0.00 N ATOM 0 H LYS A 70 4.141 -6.342 3.436 1.00 0.00 H new ATOM 0 HA LYS A 70 3.077 -4.226 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.778 -3.994 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.843 -2.993 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.814 -5.871 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.776 -4.459 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.270 -4.217 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.701 -5.836 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.585 -5.896 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.203 -5.063 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.993 -7.273 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.387 -6.927 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.390 -7.776 6.390 1.00 0.00 H new ATOM 846 N ALA A 71 2.151 -4.465 2.083 1.00 0.00 N ATOM 847 CA ALA A 71 1.097 -3.954 1.157 1.00 0.00 C ATOM 848 C ALA A 71 -0.276 -4.032 1.828 1.00 0.00 C ATOM 849 O ALA A 71 -0.931 -3.032 2.051 1.00 0.00 O ATOM 850 CB ALA A 71 1.144 -4.879 -0.056 1.00 0.00 C ATOM 0 H ALA A 71 2.758 -5.190 1.700 1.00 0.00 H new ATOM 0 HA ALA A 71 1.264 -2.913 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.395 -4.565 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.133 -4.832 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.938 -5.902 0.258 1.00 0.00 H new ATOM 856 N ASP A 72 -0.717 -5.214 2.154 1.00 0.00 N ATOM 857 CA ASP A 72 -2.048 -5.356 2.812 1.00 0.00 C ATOM 858 C ASP A 72 -2.142 -4.405 4.005 1.00 0.00 C ATOM 859 O ASP A 72 -3.086 -3.649 4.134 1.00 0.00 O ATOM 860 CB ASP A 72 -2.115 -6.811 3.279 1.00 0.00 C ATOM 861 CG ASP A 72 -3.573 -7.206 3.521 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.240 -6.505 4.262 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.996 -8.204 2.960 1.00 0.00 O ATOM 0 H ASP A 72 -0.215 -6.088 1.994 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.870 -5.112 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.670 -7.465 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.537 -6.937 4.195 1.00 0.00 H new ATOM 868 N LYS A 73 -1.171 -4.434 4.878 1.00 0.00 N ATOM 869 CA LYS A 73 -1.208 -3.526 6.059 1.00 0.00 C ATOM 870 C LYS A 73 -1.670 -2.131 5.634 1.00 0.00 C ATOM 871 O LYS A 73 -2.276 -1.408 6.399 1.00 0.00 O ATOM 872 CB LYS A 73 0.230 -3.482 6.575 1.00 0.00 C ATOM 873 CG LYS A 73 0.284 -2.642 7.852 1.00 0.00 C ATOM 874 CD LYS A 73 -0.007 -3.534 9.061 1.00 0.00 C ATOM 875 CE LYS A 73 -1.063 -2.869 9.948 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.906 -3.517 11.278 1.00 0.00 N ATOM 0 H LYS A 73 -0.356 -5.045 4.824 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.902 -3.872 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.588 -4.492 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.887 -3.055 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.266 -2.180 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.445 -1.833 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.359 -4.510 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.907 -3.702 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.905 -1.792 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.066 -3.021 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.596 -3.115 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.068 -4.540 11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.057 -3.350 11.634 1.00 0.00 H new ATOM 890 N ILE A 74 -1.394 -1.749 4.414 1.00 0.00 N ATOM 891 CA ILE A 74 -1.827 -0.402 3.950 1.00 0.00 C ATOM 892 C ILE A 74 -3.336 -0.406 3.691 1.00 0.00 C ATOM 893 O ILE A 74 -4.056 0.464 4.141 1.00 0.00 O ATOM 894 CB ILE A 74 -1.021 -0.133 2.662 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.562 1.327 2.658 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.867 -0.396 1.407 1.00 0.00 C ATOM 897 CD1 ILE A 74 0.444 1.546 1.527 1.00 0.00 C ATOM 0 H ILE A 74 -0.891 -2.308 3.725 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.643 0.379 4.688 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.165 -0.807 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.419 1.988 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.107 1.578 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.270 -0.197 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.194 -1.436 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.739 0.258 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.770 2.586 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.306 0.896 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.026 1.312 0.572 1.00 0.00 H new ATOM 909 N LEU A 75 -3.820 -1.383 2.976 1.00 0.00 N ATOM 910 CA LEU A 75 -5.283 -1.437 2.700 1.00 0.00 C ATOM 911 C LEU A 75 -6.052 -1.523 4.019 1.00 0.00 C ATOM 912 O LEU A 75 -7.221 -1.203 4.090 1.00 0.00 O ATOM 913 CB LEU A 75 -5.489 -2.702 1.865 1.00 0.00 C ATOM 914 CG LEU A 75 -5.504 -2.333 0.381 1.00 0.00 C ATOM 915 CD1 LEU A 75 -5.312 -3.596 -0.461 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.846 -1.688 0.030 1.00 0.00 C ATOM 0 H LEU A 75 -3.270 -2.142 2.573 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.643 -0.552 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.691 -3.417 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.427 -3.185 2.141 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.696 -1.631 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.323 -3.333 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.357 -4.058 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.120 -4.298 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.858 -1.425 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.653 -2.391 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.985 -0.788 0.629 1.00 0.00 H new ATOM 928 N ALA A 76 -5.397 -1.941 5.069 1.00 0.00 N ATOM 929 CA ALA A 76 -6.085 -2.034 6.388 1.00 0.00 C ATOM 930 C ALA A 76 -6.196 -0.640 7.004 1.00 0.00 C ATOM 931 O ALA A 76 -7.274 -0.163 7.300 1.00 0.00 O ATOM 932 CB ALA A 76 -5.192 -2.931 7.244 1.00 0.00 C ATOM 0 H ALA A 76 -4.416 -2.222 5.070 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.095 -2.436 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.634 -3.047 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.099 -3.909 6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.205 -2.478 7.339 1.00 0.00 H new ATOM 938 N GLU A 77 -5.087 0.022 7.189 1.00 0.00 N ATOM 939 CA GLU A 77 -5.129 1.391 7.774 1.00 0.00 C ATOM 940 C GLU A 77 -5.804 2.351 6.793 1.00 0.00 C ATOM 941 O GLU A 77 -6.605 3.181 7.173 1.00 0.00 O ATOM 942 CB GLU A 77 -3.664 1.779 7.986 1.00 0.00 C ATOM 943 CG GLU A 77 -3.149 1.155 9.285 1.00 0.00 C ATOM 944 CD GLU A 77 -3.518 -0.329 9.321 1.00 0.00 C ATOM 945 OE1 GLU A 77 -4.599 -0.639 9.795 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.713 -1.130 8.874 1.00 0.00 O ATOM 0 H GLU A 77 -4.156 -0.325 6.961 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.695 1.431 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.062 1.438 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.567 2.864 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.068 1.273 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.581 1.669 10.144 1.00 0.00 H new ATOM 953 N ALA A 78 -5.492 2.242 5.529 1.00 0.00 N ATOM 954 CA ALA A 78 -6.121 3.147 4.524 1.00 0.00 C ATOM 955 C ALA A 78 -7.641 3.134 4.683 1.00 0.00 C ATOM 956 O ALA A 78 -8.282 4.165 4.691 1.00 0.00 O ATOM 957 CB ALA A 78 -5.718 2.572 3.165 1.00 0.00 C ATOM 0 H ALA A 78 -4.829 1.566 5.149 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.798 4.182 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.144 3.185 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.631 2.569 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.091 1.552 3.076 1.00 0.00 H new ATOM 963 N ALA A 79 -8.222 1.976 4.812 1.00 0.00 N ATOM 964 CA ALA A 79 -9.702 1.903 4.972 1.00 0.00 C ATOM 965 C ALA A 79 -10.113 2.498 6.320 1.00 0.00 C ATOM 966 O ALA A 79 -11.222 2.965 6.491 1.00 0.00 O ATOM 967 CB ALA A 79 -10.034 0.413 4.921 1.00 0.00 C ATOM 0 H ALA A 79 -7.739 1.078 4.814 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.230 2.463 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.110 0.276 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.713 0.001 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.517 -0.103 5.730 1.00 0.00 H new ATOM 973 N LYS A 80 -9.230 2.484 7.280 1.00 0.00 N ATOM 974 CA LYS A 80 -9.572 3.049 8.616 1.00 0.00 C ATOM 975 C LYS A 80 -8.568 4.136 9.008 1.00 0.00 C ATOM 976 O LYS A 80 -8.176 4.247 10.153 1.00 0.00 O ATOM 977 CB LYS A 80 -9.482 1.866 9.581 1.00 0.00 C ATOM 978 CG LYS A 80 -10.534 2.023 10.680 1.00 0.00 C ATOM 979 CD LYS A 80 -11.781 1.217 10.313 1.00 0.00 C ATOM 980 CE LYS A 80 -12.815 2.142 9.667 1.00 0.00 C ATOM 981 NZ LYS A 80 -14.101 1.394 9.741 1.00 0.00 N ATOM 0 H LYS A 80 -8.286 2.106 7.197 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.559 3.512 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.640 0.931 9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.486 1.817 10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.133 1.679 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.792 3.075 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.518 0.412 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.201 0.751 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.880 3.092 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.550 2.370 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.860 1.965 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.011 0.497 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.331 1.197 10.736 1.00 0.00 H new ATOM 995 N LEU A 81 -8.147 4.940 8.070 1.00 0.00 N ATOM 996 CA LEU A 81 -7.168 6.017 8.396 1.00 0.00 C ATOM 997 C LEU A 81 -7.296 7.171 7.398 1.00 0.00 C ATOM 998 O LEU A 81 -7.431 8.318 7.777 1.00 0.00 O ATOM 999 CB LEU A 81 -5.798 5.349 8.276 1.00 0.00 C ATOM 1000 CG LEU A 81 -4.710 6.309 8.759 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -4.514 7.423 7.728 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.128 6.922 10.097 1.00 0.00 C ATOM 0 H LEU A 81 -8.438 4.898 7.093 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.331 6.440 9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.777 4.433 8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.611 5.064 7.240 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.775 5.763 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.738 8.106 8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.215 6.988 6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.448 7.969 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.353 7.606 10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.063 7.467 9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.266 6.130 10.833 1.00 0.00 H new ATOM 1014 N VAL A 82 -7.258 6.878 6.127 1.00 0.00 N ATOM 1015 CA VAL A 82 -7.379 7.961 5.107 1.00 0.00 C ATOM 1016 C VAL A 82 -8.560 7.680 4.171 1.00 0.00 C ATOM 1017 O VAL A 82 -8.414 7.686 2.966 1.00 0.00 O ATOM 1018 CB VAL A 82 -6.060 7.924 4.333 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -5.956 6.608 3.561 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.010 9.097 3.351 1.00 0.00 C ATOM 0 H VAL A 82 -7.149 5.937 5.750 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.560 8.936 5.560 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.228 8.000 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.016 6.583 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.989 5.772 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.789 6.530 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.070 9.070 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.843 9.022 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.081 10.035 3.901 1.00 0.00 H new