USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= -0.397 K(o=1.2,f=-0.9) USER MOD Set 1.2: A 55 THR OG1 : rot 109:sc= 0.724 USER MOD Set 1.3: A 58 THR OG1 : rot 111:sc= 0.851 USER MOD Set 2.1: A 25 THR OG1 : rot 74:sc= 1.4 USER MOD Set 2.2: A 31 TYR OH : rot -179:sc= 0.273 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 106:sc= 0.406 USER MOD Single : A 10 THR OG1 : rot 159:sc= -1.15! USER MOD Single : A 11 THR OG1 : rot -3:sc= 0.939 USER MOD Single : A 12 SER OG : rot -27:sc= 1.24 USER MOD Single : A 16 TYR OH : rot 0:sc= 0.42 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.548) USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 27 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 39 ASN : amide:sc= -1.02! C(o=-1!,f=-3.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc=0.000243 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.948 (180deg=0.948) USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= 0.714 (180deg=0.557) USER MOD Single : A 81 LYS NZ :NH3+ -138:sc= -0.528 (180deg=-2.42!) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.259 4.203 5.046 1.00 0.00 N ATOM 61 CA ALA A 5 6.310 5.025 3.852 1.00 0.00 C ATOM 62 C ALA A 5 5.278 4.572 2.820 1.00 0.00 C ATOM 63 O ALA A 5 5.111 5.204 1.768 1.00 0.00 O ATOM 64 CB ALA A 5 7.701 5.003 3.275 1.00 0.00 C ATOM 0 HA ALA A 5 6.061 6.050 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.733 5.622 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.406 5.392 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.972 3.979 3.019 1.00 0.00 H new ATOM 70 N LEU A 6 4.608 3.480 3.120 1.00 0.00 N ATOM 71 CA LEU A 6 3.537 2.983 2.307 1.00 0.00 C ATOM 72 C LEU A 6 2.281 2.893 3.125 1.00 0.00 C ATOM 73 O LEU A 6 2.250 2.265 4.196 1.00 0.00 O ATOM 74 CB LEU A 6 3.818 1.620 1.637 1.00 0.00 C ATOM 75 CG LEU A 6 4.252 0.462 2.518 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.915 -0.843 1.830 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.748 0.519 2.763 1.00 0.00 C ATOM 0 H LEU A 6 4.799 2.912 3.945 1.00 0.00 H new ATOM 0 HA LEU A 6 3.426 3.699 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.914 1.316 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.591 1.773 0.884 1.00 0.00 H new ATOM 0 HG LEU A 6 3.730 0.530 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.225 -1.677 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.840 -0.897 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.437 -0.896 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.045 -0.317 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.275 0.459 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.000 1.457 3.258 1.00 0.00 H new ATOM 89 N THR A 7 1.286 3.547 2.666 1.00 0.00 N ATOM 90 CA THR A 7 0.014 3.532 3.287 1.00 0.00 C ATOM 91 C THR A 7 -0.944 2.758 2.381 1.00 0.00 C ATOM 92 O THR A 7 -1.235 3.187 1.261 1.00 0.00 O ATOM 93 CB THR A 7 -0.456 4.973 3.504 1.00 0.00 C ATOM 94 OG1 THR A 7 0.600 5.686 4.169 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.695 5.009 4.370 1.00 0.00 C ATOM 0 H THR A 7 1.331 4.124 1.826 1.00 0.00 H new ATOM 0 HA THR A 7 0.052 3.044 4.261 1.00 0.00 H new ATOM 0 HB THR A 7 -0.695 5.426 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.324 6.614 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.011 6.043 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.494 4.448 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.475 4.562 5.339 1.00 0.00 H new ATOM 103 N ILE A 8 -1.373 1.614 2.844 1.00 0.00 N ATOM 104 CA ILE A 8 -2.195 0.716 2.071 1.00 0.00 C ATOM 105 C ILE A 8 -3.646 0.901 2.435 1.00 0.00 C ATOM 106 O ILE A 8 -3.992 1.040 3.597 1.00 0.00 O ATOM 107 CB ILE A 8 -1.795 -0.767 2.312 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.339 -0.993 1.926 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.711 -1.728 1.541 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.118 -2.413 2.105 1.00 0.00 C ATOM 0 H ILE A 8 -1.159 1.273 3.781 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.042 0.951 1.018 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.914 -0.977 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.199 -0.704 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.293 -0.338 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.403 -2.756 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.741 -1.591 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.640 -1.521 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.164 -2.498 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.011 -2.701 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.489 -3.072 1.484 1.00 0.00 H new ATOM 122 N TYR A 9 -4.466 0.916 1.453 1.00 0.00 N ATOM 123 CA TYR A 9 -5.867 1.042 1.634 1.00 0.00 C ATOM 124 C TYR A 9 -6.470 -0.364 1.705 1.00 0.00 C ATOM 125 O TYR A 9 -6.304 -1.157 0.786 1.00 0.00 O ATOM 126 CB TYR A 9 -6.437 1.896 0.482 1.00 0.00 C ATOM 127 CG TYR A 9 -5.864 3.318 0.467 1.00 0.00 C ATOM 128 CD1 TYR A 9 -4.663 3.603 -0.177 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.505 4.359 1.126 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.122 4.865 -0.165 1.00 0.00 C ATOM 131 CE2 TYR A 9 -5.968 5.639 1.136 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.772 5.880 0.490 1.00 0.00 C ATOM 133 OH TYR A 9 -4.219 7.141 0.508 1.00 0.00 O ATOM 0 H TYR A 9 -4.178 0.839 0.477 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.119 1.551 2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.219 1.410 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.522 1.946 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.144 2.812 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.436 4.170 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.187 5.058 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.482 6.441 1.645 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.723 7.728 -0.094 1.00 0.00 H new ATOM 143 N THR A 10 -7.072 -0.694 2.830 1.00 0.00 N ATOM 144 CA THR A 10 -7.657 -2.000 3.045 1.00 0.00 C ATOM 145 C THR A 10 -9.089 -1.870 3.530 1.00 0.00 C ATOM 146 O THR A 10 -9.472 -0.836 4.084 1.00 0.00 O ATOM 147 CB THR A 10 -6.845 -2.797 4.086 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.554 -1.953 5.202 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.555 -3.338 3.493 1.00 0.00 C ATOM 0 H THR A 10 -7.169 -0.060 3.623 1.00 0.00 H new ATOM 0 HA THR A 10 -7.643 -2.530 2.093 1.00 0.00 H new ATOM 0 HB THR A 10 -7.442 -3.650 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.344 -2.505 5.984 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.009 -3.894 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.788 -3.999 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.942 -2.509 3.139 1.00 0.00 H new ATOM 157 N THR A 11 -9.884 -2.899 3.304 1.00 0.00 N ATOM 158 CA THR A 11 -11.239 -2.923 3.774 1.00 0.00 C ATOM 159 C THR A 11 -11.566 -4.315 4.275 1.00 0.00 C ATOM 160 O THR A 11 -10.750 -5.232 4.152 1.00 0.00 O ATOM 161 CB THR A 11 -12.273 -2.540 2.681 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.120 -3.382 1.541 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.159 -1.088 2.264 1.00 0.00 C ATOM 0 H THR A 11 -9.602 -3.734 2.791 1.00 0.00 H new ATOM 0 HA THR A 11 -11.310 -2.180 4.569 1.00 0.00 H new ATOM 0 HB THR A 11 -13.263 -2.681 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.363 -3.988 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.903 -0.870 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.330 -0.447 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.162 -0.901 1.865 1.00 0.00 H new ATOM 171 N SER A 12 -12.750 -4.472 4.827 1.00 0.00 N ATOM 172 CA SER A 12 -13.228 -5.766 5.256 1.00 0.00 C ATOM 173 C SER A 12 -13.888 -6.466 4.052 1.00 0.00 C ATOM 174 O SER A 12 -14.142 -7.670 4.062 1.00 0.00 O ATOM 175 CB SER A 12 -14.292 -5.547 6.336 1.00 0.00 C ATOM 176 OG SER A 12 -13.889 -4.541 7.270 1.00 0.00 O ATOM 0 H SER A 12 -13.406 -3.708 4.990 1.00 0.00 H new ATOM 0 HA SER A 12 -12.408 -6.371 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.232 -5.256 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.475 -6.483 6.864 1.00 0.00 H new ATOM 0 HG SER A 12 -12.910 -4.502 7.306 1.00 0.00 H new ATOM 182 N TRP A 13 -14.095 -5.686 2.993 1.00 0.00 N ATOM 183 CA TRP A 13 -14.903 -6.093 1.853 1.00 0.00 C ATOM 184 C TRP A 13 -14.126 -6.953 0.874 1.00 0.00 C ATOM 185 O TRP A 13 -14.715 -7.671 0.062 1.00 0.00 O ATOM 186 CB TRP A 13 -15.398 -4.854 1.092 1.00 0.00 C ATOM 187 CG TRP A 13 -15.981 -3.762 1.946 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.697 -3.896 3.097 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.916 -2.355 1.677 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.038 -2.662 3.582 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.587 -1.700 2.723 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.347 -1.588 0.654 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.702 -0.313 2.781 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.466 -0.212 0.711 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.141 0.411 1.767 1.00 0.00 C ATOM 0 H TRP A 13 -13.703 -4.749 2.904 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.735 -6.673 2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.565 -4.441 0.523 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.152 -5.169 0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.957 -4.837 3.559 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.548 -2.488 4.448 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.825 -2.062 -0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.216 0.172 3.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.031 0.392 -0.072 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.220 1.488 1.781 1.00 0.00 H new ATOM 206 N CYS A 14 -12.834 -6.879 0.932 1.00 0.00 N ATOM 207 CA CYS A 14 -12.009 -7.526 -0.050 1.00 0.00 C ATOM 208 C CYS A 14 -11.263 -8.718 0.495 1.00 0.00 C ATOM 209 O CYS A 14 -10.922 -8.766 1.676 1.00 0.00 O ATOM 210 CB CYS A 14 -11.025 -6.515 -0.610 1.00 0.00 C ATOM 211 SG CYS A 14 -10.093 -5.601 0.677 1.00 0.00 S ATOM 0 H CYS A 14 -12.320 -6.374 1.654 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.667 -7.903 -0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.318 -7.031 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.566 -5.800 -1.231 1.00 0.00 H new ATOM 216 N GLY A 15 -11.045 -9.681 -0.361 1.00 0.00 N ATOM 217 CA GLY A 15 -10.207 -10.794 -0.029 1.00 0.00 C ATOM 218 C GLY A 15 -8.844 -10.620 -0.671 1.00 0.00 C ATOM 219 O GLY A 15 -7.812 -10.808 -0.029 1.00 0.00 O ATOM 0 H GLY A 15 -11.442 -9.713 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.102 -10.872 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.665 -11.721 -0.373 1.00 0.00 H new ATOM 223 N TYR A 16 -8.847 -10.173 -1.938 1.00 0.00 N ATOM 224 CA TYR A 16 -7.613 -9.995 -2.737 1.00 0.00 C ATOM 225 C TYR A 16 -6.622 -9.000 -2.106 1.00 0.00 C ATOM 226 O TYR A 16 -5.418 -9.090 -2.323 1.00 0.00 O ATOM 227 CB TYR A 16 -7.923 -9.632 -4.223 1.00 0.00 C ATOM 228 CG TYR A 16 -8.520 -8.239 -4.503 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.666 -7.791 -3.865 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.942 -7.399 -5.453 1.00 0.00 C ATOM 231 CE1 TYR A 16 -10.214 -6.553 -4.153 1.00 0.00 C ATOM 232 CE2 TYR A 16 -8.482 -6.163 -5.744 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.617 -5.746 -5.093 1.00 0.00 C ATOM 234 OH TYR A 16 -10.153 -4.507 -5.380 1.00 0.00 O ATOM 0 H TYR A 16 -9.699 -9.924 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.116 -10.965 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.998 -9.722 -4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.613 -10.379 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.141 -8.421 -3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.052 -7.722 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.106 -6.222 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.014 -5.526 -6.480 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.948 -4.358 -4.826 1.00 0.00 H new ATOM 244 N CYS A 17 -7.129 -8.087 -1.290 1.00 0.00 N ATOM 245 CA CYS A 17 -6.279 -7.117 -0.607 1.00 0.00 C ATOM 246 C CYS A 17 -5.416 -7.824 0.435 1.00 0.00 C ATOM 247 O CYS A 17 -4.226 -7.553 0.572 1.00 0.00 O ATOM 248 CB CYS A 17 -7.139 -6.053 0.088 1.00 0.00 C ATOM 249 SG CYS A 17 -8.481 -6.756 1.095 1.00 0.00 S ATOM 0 H CYS A 17 -8.124 -7.996 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.639 -6.636 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.501 -5.439 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.568 -5.393 -0.666 1.00 0.00 H new ATOM 254 N LEU A 18 -6.025 -8.789 1.103 1.00 0.00 N ATOM 255 CA LEU A 18 -5.420 -9.504 2.190 1.00 0.00 C ATOM 256 C LEU A 18 -4.287 -10.404 1.707 1.00 0.00 C ATOM 257 O LEU A 18 -3.323 -10.637 2.429 1.00 0.00 O ATOM 258 CB LEU A 18 -6.491 -10.306 2.902 1.00 0.00 C ATOM 259 CG LEU A 18 -6.067 -11.040 4.161 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.463 -10.088 5.185 1.00 0.00 C ATOM 261 CD2 LEU A 18 -7.255 -11.718 4.739 1.00 0.00 C ATOM 0 H LEU A 18 -6.974 -9.096 0.892 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.977 -8.790 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.307 -9.631 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.892 -11.037 2.200 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.302 -11.771 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.171 -10.647 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.586 -9.602 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.199 -9.332 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.965 -12.250 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.015 -10.976 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.658 -12.427 4.015 1.00 0.00 H new ATOM 273 N ARG A 19 -4.388 -10.866 0.473 1.00 0.00 N ATOM 274 CA ARG A 19 -3.361 -11.735 -0.119 1.00 0.00 C ATOM 275 C ARG A 19 -2.027 -11.006 -0.232 1.00 0.00 C ATOM 276 O ARG A 19 -1.006 -11.485 0.261 1.00 0.00 O ATOM 277 CB ARG A 19 -3.806 -12.315 -1.486 1.00 0.00 C ATOM 278 CG ARG A 19 -4.744 -13.536 -1.410 1.00 0.00 C ATOM 279 CD ARG A 19 -5.984 -13.267 -0.574 1.00 0.00 C ATOM 280 NE ARG A 19 -6.900 -14.403 -0.517 1.00 0.00 N ATOM 281 CZ ARG A 19 -7.677 -14.716 0.529 1.00 0.00 C ATOM 282 NH1 ARG A 19 -7.517 -14.097 1.696 1.00 0.00 N ATOM 283 NH2 ARG A 19 -8.584 -15.671 0.414 1.00 0.00 N ATOM 0 H ARG A 19 -5.170 -10.658 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.226 -12.581 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.306 -11.528 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.916 -12.596 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.045 -13.822 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.201 -14.381 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.680 -13.003 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.510 -12.405 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.952 -15.006 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.799 -13.379 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.112 -14.340 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.692 -16.168 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.176 -15.910 1.209 1.00 0.00 H new ATOM 297 N LEU A 20 -2.052 -9.814 -0.813 1.00 0.00 N ATOM 298 CA LEU A 20 -0.834 -9.011 -0.940 1.00 0.00 C ATOM 299 C LEU A 20 -0.380 -8.534 0.437 1.00 0.00 C ATOM 300 O LEU A 20 0.813 -8.491 0.733 1.00 0.00 O ATOM 301 CB LEU A 20 -1.044 -7.816 -1.890 1.00 0.00 C ATOM 302 CG LEU A 20 0.084 -6.748 -1.971 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.382 -7.268 -2.609 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.408 -5.508 -2.689 1.00 0.00 C ATOM 0 H LEU A 20 -2.890 -9.382 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.055 -9.638 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.205 -8.210 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.963 -7.311 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 20 0.337 -6.494 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.122 -6.468 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.767 -8.102 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.179 -7.603 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.395 -4.772 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.718 -5.772 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.255 -5.087 -2.148 1.00 0.00 H new ATOM 316 N LYS A 21 -1.354 -8.215 1.275 1.00 0.00 N ATOM 317 CA LYS A 21 -1.130 -7.779 2.649 1.00 0.00 C ATOM 318 C LYS A 21 -0.312 -8.840 3.428 1.00 0.00 C ATOM 319 O LYS A 21 0.586 -8.512 4.216 1.00 0.00 O ATOM 320 CB LYS A 21 -2.506 -7.508 3.289 1.00 0.00 C ATOM 321 CG LYS A 21 -2.510 -7.074 4.739 1.00 0.00 C ATOM 322 CD LYS A 21 -3.923 -6.710 5.202 1.00 0.00 C ATOM 323 CE LYS A 21 -3.960 -6.467 6.709 1.00 0.00 C ATOM 324 NZ LYS A 21 -5.304 -6.076 7.202 1.00 0.00 N ATOM 0 H LYS A 21 -2.340 -8.252 1.017 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.542 -6.862 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.008 -6.738 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.105 -8.415 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.115 -7.876 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.850 -6.216 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.262 -5.817 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.613 -7.513 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.639 -7.372 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.245 -5.685 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.330 -6.155 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.503 -5.094 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.022 -6.705 6.789 1.00 0.00 H new ATOM 338 N THR A 22 -0.583 -10.101 3.151 1.00 0.00 N ATOM 339 CA THR A 22 0.131 -11.186 3.786 1.00 0.00 C ATOM 340 C THR A 22 1.557 -11.318 3.176 1.00 0.00 C ATOM 341 O THR A 22 2.549 -11.497 3.900 1.00 0.00 O ATOM 342 CB THR A 22 -0.652 -12.509 3.637 1.00 0.00 C ATOM 343 OG1 THR A 22 -2.020 -12.304 4.061 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.040 -13.587 4.503 1.00 0.00 C ATOM 0 H THR A 22 -1.297 -10.398 2.486 1.00 0.00 H new ATOM 0 HA THR A 22 0.228 -10.967 4.849 1.00 0.00 H new ATOM 0 HB THR A 22 -0.615 -12.819 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.538 -11.922 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.604 -14.512 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.994 -13.752 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.068 -13.275 5.547 1.00 0.00 H new ATOM 352 N ALA A 23 1.652 -11.154 1.852 1.00 0.00 N ATOM 353 CA ALA A 23 2.933 -11.224 1.129 1.00 0.00 C ATOM 354 C ALA A 23 3.894 -10.158 1.616 1.00 0.00 C ATOM 355 O ALA A 23 5.080 -10.418 1.805 1.00 0.00 O ATOM 356 CB ALA A 23 2.703 -11.082 -0.367 1.00 0.00 C ATOM 0 H ALA A 23 0.849 -10.970 1.251 1.00 0.00 H new ATOM 0 HA ALA A 23 3.380 -12.198 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.659 -11.136 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.055 -11.887 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.231 -10.122 -0.573 1.00 0.00 H new ATOM 362 N LEU A 24 3.378 -8.975 1.848 1.00 0.00 N ATOM 363 CA LEU A 24 4.176 -7.872 2.351 1.00 0.00 C ATOM 364 C LEU A 24 4.665 -8.160 3.765 1.00 0.00 C ATOM 365 O LEU A 24 5.781 -7.798 4.128 1.00 0.00 O ATOM 366 CB LEU A 24 3.380 -6.574 2.294 1.00 0.00 C ATOM 367 CG LEU A 24 2.901 -6.163 0.903 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.156 -4.862 0.957 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.048 -6.072 -0.078 1.00 0.00 C ATOM 0 H LEU A 24 2.396 -8.745 1.695 1.00 0.00 H new ATOM 0 HA LEU A 24 5.054 -7.758 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.512 -6.671 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.995 -5.771 2.700 1.00 0.00 H new ATOM 0 HG LEU A 24 2.222 -6.940 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.825 -4.590 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.289 -4.966 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.812 -4.083 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.668 -5.777 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.767 -5.330 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.537 -7.043 -0.157 1.00 0.00 H new ATOM 381 N THR A 25 3.851 -8.858 4.528 1.00 0.00 N ATOM 382 CA THR A 25 4.210 -9.251 5.874 1.00 0.00 C ATOM 383 C THR A 25 5.397 -10.242 5.837 1.00 0.00 C ATOM 384 O THR A 25 6.380 -10.080 6.570 1.00 0.00 O ATOM 385 CB THR A 25 2.990 -9.876 6.599 1.00 0.00 C ATOM 386 OG1 THR A 25 1.906 -8.917 6.626 1.00 0.00 O ATOM 387 CG2 THR A 25 3.342 -10.283 8.028 1.00 0.00 C ATOM 0 H THR A 25 2.925 -9.168 4.234 1.00 0.00 H new ATOM 0 HA THR A 25 4.516 -8.366 6.431 1.00 0.00 H new ATOM 0 HB THR A 25 2.689 -10.771 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.509 -8.846 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.466 -10.718 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.147 -11.017 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.665 -9.405 8.587 1.00 0.00 H new ATOM 395 N ALA A 26 5.332 -11.212 4.926 1.00 0.00 N ATOM 396 CA ALA A 26 6.398 -12.203 4.760 1.00 0.00 C ATOM 397 C ALA A 26 7.671 -11.552 4.198 1.00 0.00 C ATOM 398 O ALA A 26 8.794 -11.998 4.457 1.00 0.00 O ATOM 399 CB ALA A 26 5.929 -13.329 3.847 1.00 0.00 C ATOM 0 H ALA A 26 4.547 -11.334 4.287 1.00 0.00 H new ATOM 0 HA ALA A 26 6.636 -12.618 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.729 -14.060 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.056 -13.813 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.666 -12.921 2.871 1.00 0.00 H new ATOM 405 N ASN A 27 7.476 -10.471 3.471 1.00 0.00 N ATOM 406 CA ASN A 27 8.558 -9.691 2.856 1.00 0.00 C ATOM 407 C ASN A 27 9.153 -8.679 3.830 1.00 0.00 C ATOM 408 O ASN A 27 10.023 -7.863 3.444 1.00 0.00 O ATOM 409 CB ASN A 27 8.045 -8.980 1.600 1.00 0.00 C ATOM 410 CG ASN A 27 8.223 -9.777 0.333 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.244 -9.658 -0.354 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.256 -10.583 0.008 1.00 0.00 N ATOM 0 H ASN A 27 6.548 -10.094 3.281 1.00 0.00 H new ATOM 0 HA ASN A 27 9.351 -10.386 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.987 -8.753 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.565 -8.028 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.324 -11.145 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.429 -10.653 0.601 1.00 0.00 H new ATOM 419 N ARG A 28 8.668 -8.730 5.081 1.00 0.00 N ATOM 420 CA ARG A 28 9.105 -7.867 6.190 1.00 0.00 C ATOM 421 C ARG A 28 8.847 -6.388 5.848 1.00 0.00 C ATOM 422 O ARG A 28 9.609 -5.481 6.202 1.00 0.00 O ATOM 423 CB ARG A 28 10.589 -8.116 6.555 1.00 0.00 C ATOM 424 CG ARG A 28 10.992 -7.456 7.867 1.00 0.00 C ATOM 425 CD ARG A 28 12.471 -7.548 8.154 1.00 0.00 C ATOM 426 NE ARG A 28 12.797 -6.797 9.369 1.00 0.00 N ATOM 427 CZ ARG A 28 13.941 -6.134 9.599 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.939 -6.172 8.719 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.083 -5.443 10.718 1.00 0.00 N ATOM 0 H ARG A 28 7.941 -9.391 5.356 1.00 0.00 H new ATOM 0 HA ARG A 28 8.517 -8.121 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.766 -9.189 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.224 -7.739 5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.699 -6.407 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.441 -7.922 8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.762 -8.592 8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.038 -7.154 7.311 1.00 0.00 H new ATOM 0 HE ARG A 28 12.092 -6.776 10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.839 -6.709 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.803 -5.664 8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.325 -5.416 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.950 -4.937 10.898 1.00 0.00 H new ATOM 443 N ILE A 29 7.762 -6.148 5.189 1.00 0.00 N ATOM 444 CA ILE A 29 7.403 -4.819 4.816 1.00 0.00 C ATOM 445 C ILE A 29 6.451 -4.242 5.843 1.00 0.00 C ATOM 446 O ILE A 29 5.424 -4.844 6.161 1.00 0.00 O ATOM 447 CB ILE A 29 6.793 -4.781 3.384 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.851 -5.259 2.382 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.315 -3.376 3.031 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.372 -5.373 0.958 1.00 0.00 C ATOM 0 H ILE A 29 7.100 -6.866 4.894 1.00 0.00 H new ATOM 0 HA ILE A 29 8.302 -4.203 4.793 1.00 0.00 H new ATOM 0 HB ILE A 29 5.926 -5.441 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.695 -4.570 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.222 -6.232 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.893 -3.377 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.553 -3.061 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.157 -2.685 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.190 -5.718 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.549 -6.086 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.030 -4.398 0.610 1.00 0.00 H new ATOM 462 N ALA A 30 6.839 -3.130 6.410 1.00 0.00 N ATOM 463 CA ALA A 30 6.016 -2.427 7.350 1.00 0.00 C ATOM 464 C ALA A 30 5.045 -1.574 6.574 1.00 0.00 C ATOM 465 O ALA A 30 5.454 -0.793 5.717 1.00 0.00 O ATOM 466 CB ALA A 30 6.876 -1.562 8.263 1.00 0.00 C ATOM 0 H ALA A 30 7.740 -2.687 6.230 1.00 0.00 H new ATOM 0 HA ALA A 30 5.473 -3.134 7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.238 -1.034 8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.578 -2.194 8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.429 -0.838 7.664 1.00 0.00 H new ATOM 472 N TYR A 31 3.784 -1.737 6.837 1.00 0.00 N ATOM 473 CA TYR A 31 2.772 -1.004 6.138 1.00 0.00 C ATOM 474 C TYR A 31 1.735 -0.485 7.096 1.00 0.00 C ATOM 475 O TYR A 31 1.489 -1.091 8.158 1.00 0.00 O ATOM 476 CB TYR A 31 2.119 -1.864 5.034 1.00 0.00 C ATOM 477 CG TYR A 31 1.486 -3.157 5.512 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.176 -3.186 5.984 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.203 -4.346 5.495 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.393 -4.356 6.425 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.638 -5.521 5.936 1.00 0.00 C ATOM 482 CZ TYR A 31 0.342 -5.518 6.400 1.00 0.00 C ATOM 483 OH TYR A 31 -0.221 -6.683 6.854 1.00 0.00 O ATOM 0 H TYR A 31 3.427 -2.382 7.542 1.00 0.00 H new ATOM 0 HA TYR A 31 3.250 -0.152 5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.356 -1.267 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.876 -2.103 4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.402 -2.274 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.220 -4.349 5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.410 -4.363 6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.207 -6.439 5.918 1.00 0.00 H new ATOM 0 HH TYR A 31 0.432 -7.411 6.784 1.00 0.00 H new ATOM 493 N ASP A 32 1.175 0.632 6.767 1.00 0.00 N ATOM 494 CA ASP A 32 0.079 1.192 7.519 1.00 0.00 C ATOM 495 C ASP A 32 -1.144 1.112 6.680 1.00 0.00 C ATOM 496 O ASP A 32 -1.141 1.581 5.548 1.00 0.00 O ATOM 497 CB ASP A 32 0.327 2.650 7.937 1.00 0.00 C ATOM 498 CG ASP A 32 1.255 2.796 9.118 1.00 0.00 C ATOM 499 OD1 ASP A 32 0.812 2.583 10.256 1.00 0.00 O ATOM 500 OD2 ASP A 32 2.415 3.171 8.946 1.00 0.00 O ATOM 0 H ASP A 32 1.460 1.193 5.964 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.032 0.619 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.744 3.195 7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.628 3.117 8.178 1.00 0.00 H new ATOM 505 N GLU A 33 -2.164 0.483 7.187 1.00 0.00 N ATOM 506 CA GLU A 33 -3.392 0.353 6.456 1.00 0.00 C ATOM 507 C GLU A 33 -4.369 1.442 6.900 1.00 0.00 C ATOM 508 O GLU A 33 -4.288 1.934 8.039 1.00 0.00 O ATOM 509 CB GLU A 33 -3.954 -1.061 6.582 1.00 0.00 C ATOM 510 CG GLU A 33 -4.298 -1.515 7.983 1.00 0.00 C ATOM 511 CD GLU A 33 -4.660 -2.977 8.008 1.00 0.00 C ATOM 512 OE1 GLU A 33 -5.685 -3.380 7.397 1.00 0.00 O ATOM 513 OE2 GLU A 33 -3.927 -3.767 8.637 1.00 0.00 O ATOM 0 H GLU A 33 -2.170 0.049 8.110 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.209 0.502 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.852 -1.130 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.228 -1.758 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.450 -1.336 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.131 -0.925 8.365 1.00 0.00 H new ATOM 520 N VAL A 34 -5.241 1.850 6.011 1.00 0.00 N ATOM 521 CA VAL A 34 -6.100 2.996 6.265 1.00 0.00 C ATOM 522 C VAL A 34 -7.434 2.626 6.909 1.00 0.00 C ATOM 523 O VAL A 34 -8.057 1.614 6.590 1.00 0.00 O ATOM 524 CB VAL A 34 -6.329 3.857 4.985 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.972 5.204 5.315 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.028 4.076 4.256 1.00 0.00 C ATOM 0 H VAL A 34 -5.380 1.409 5.102 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.556 3.601 6.991 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.014 3.305 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.115 5.774 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.937 5.039 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.323 5.761 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.207 4.679 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.327 4.594 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.608 3.113 3.964 1.00 0.00 H new ATOM 536 N ASP A 35 -7.852 3.510 7.782 1.00 0.00 N ATOM 537 CA ASP A 35 -9.085 3.489 8.580 1.00 0.00 C ATOM 538 C ASP A 35 -10.387 3.554 7.760 1.00 0.00 C ATOM 539 O ASP A 35 -11.472 3.532 8.343 1.00 0.00 O ATOM 540 CB ASP A 35 -9.058 4.628 9.599 1.00 0.00 C ATOM 541 CG ASP A 35 -8.831 5.978 8.956 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.660 6.327 8.705 1.00 0.00 O ATOM 543 OD2 ASP A 35 -9.789 6.716 8.702 1.00 0.00 O ATOM 0 H ASP A 35 -7.298 4.343 7.980 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.099 2.518 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.001 4.644 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.270 4.440 10.328 1.00 0.00 H new ATOM 548 N ILE A 36 -10.279 3.666 6.423 1.00 0.00 N ATOM 549 CA ILE A 36 -11.441 3.846 5.490 1.00 0.00 C ATOM 550 C ILE A 36 -12.638 2.910 5.776 1.00 0.00 C ATOM 551 O ILE A 36 -13.769 3.231 5.420 1.00 0.00 O ATOM 552 CB ILE A 36 -11.062 3.652 3.996 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.528 2.247 3.740 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.056 4.690 3.535 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.372 1.930 2.283 1.00 0.00 C ATOM 0 H ILE A 36 -9.380 3.636 5.941 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.737 4.878 5.678 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.974 3.785 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.563 2.137 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.203 1.521 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.815 4.522 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.481 5.687 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.148 4.608 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.988 0.916 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.340 2.009 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.674 2.634 1.830 1.00 0.00 H new ATOM 567 N GLU A 37 -12.376 1.768 6.404 1.00 0.00 N ATOM 568 CA GLU A 37 -13.408 0.801 6.779 1.00 0.00 C ATOM 569 C GLU A 37 -14.498 1.451 7.647 1.00 0.00 C ATOM 570 O GLU A 37 -15.665 1.077 7.580 1.00 0.00 O ATOM 571 CB GLU A 37 -12.770 -0.360 7.548 1.00 0.00 C ATOM 572 CG GLU A 37 -11.784 -1.157 6.728 1.00 0.00 C ATOM 573 CD GLU A 37 -11.085 -2.241 7.516 1.00 0.00 C ATOM 574 OE1 GLU A 37 -10.065 -1.956 8.169 1.00 0.00 O ATOM 575 OE2 GLU A 37 -11.558 -3.399 7.510 1.00 0.00 O ATOM 0 H GLU A 37 -11.434 1.483 6.670 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.874 0.433 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.263 0.033 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.557 -1.026 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.306 -1.610 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.037 -0.480 6.313 1.00 0.00 H new ATOM 582 N HIS A 38 -14.101 2.434 8.432 1.00 0.00 N ATOM 583 CA HIS A 38 -15.005 3.128 9.330 1.00 0.00 C ATOM 584 C HIS A 38 -14.922 4.644 9.137 1.00 0.00 C ATOM 585 O HIS A 38 -15.330 5.410 10.006 1.00 0.00 O ATOM 586 CB HIS A 38 -14.717 2.731 10.805 1.00 0.00 C ATOM 587 CG HIS A 38 -13.286 2.925 11.272 1.00 0.00 C ATOM 588 ND1 HIS A 38 -12.361 1.904 11.346 1.00 0.00 N ATOM 589 CD2 HIS A 38 -12.647 4.035 11.723 1.00 0.00 C ATOM 590 CE1 HIS A 38 -11.222 2.399 11.823 1.00 0.00 C ATOM 591 NE2 HIS A 38 -11.336 3.695 12.073 1.00 0.00 N ATOM 0 H HIS A 38 -13.140 2.775 8.465 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.024 2.825 9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.373 3.312 11.453 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.984 1.683 10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.081 5.021 11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.324 1.821 11.985 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.617 4.316 12.444 1.00 0.00 H new ATOM 599 N ASN A 39 -14.429 5.067 7.992 1.00 0.00 N ATOM 600 CA ASN A 39 -14.275 6.495 7.714 1.00 0.00 C ATOM 601 C ASN A 39 -14.564 6.804 6.270 1.00 0.00 C ATOM 602 O ASN A 39 -13.923 6.260 5.362 1.00 0.00 O ATOM 603 CB ASN A 39 -12.867 6.951 8.028 1.00 0.00 C ATOM 604 CG ASN A 39 -12.612 8.407 7.652 1.00 0.00 C ATOM 605 OD1 ASN A 39 -13.487 9.267 7.736 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.452 8.659 7.138 1.00 0.00 N ATOM 0 H ASN A 39 -14.127 4.452 7.236 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.988 7.023 8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.678 6.819 9.093 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.159 6.315 7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.242 9.594 6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.748 7.923 7.083 1.00 0.00 H new ATOM 613 N ARG A 40 -15.510 7.670 6.044 1.00 0.00 N ATOM 614 CA ARG A 40 -15.866 8.069 4.707 1.00 0.00 C ATOM 615 C ARG A 40 -14.847 9.067 4.128 1.00 0.00 C ATOM 616 O ARG A 40 -14.608 9.084 2.932 1.00 0.00 O ATOM 617 CB ARG A 40 -17.291 8.642 4.665 1.00 0.00 C ATOM 618 CG ARG A 40 -17.457 10.030 5.278 1.00 0.00 C ATOM 619 CD ARG A 40 -18.921 10.387 5.420 1.00 0.00 C ATOM 620 NE ARG A 40 -19.582 9.534 6.423 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.829 9.046 6.339 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.554 9.222 5.234 1.00 0.00 N ATOM 623 NH2 ARG A 40 -21.333 8.364 7.362 1.00 0.00 N ATOM 0 H ARG A 40 -16.057 8.120 6.778 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.844 7.179 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.618 8.681 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.957 7.952 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.975 10.060 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.957 10.770 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.017 11.434 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.420 10.275 4.458 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.044 9.293 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.162 9.732 4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.501 8.847 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.773 8.216 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.280 7.989 7.308 1.00 0.00 H new ATOM 637 N ALA A 41 -14.193 9.845 4.998 1.00 0.00 N ATOM 638 CA ALA A 41 -13.329 10.931 4.536 1.00 0.00 C ATOM 639 C ALA A 41 -12.072 10.467 3.818 1.00 0.00 C ATOM 640 O ALA A 41 -11.658 11.072 2.828 1.00 0.00 O ATOM 641 CB ALA A 41 -13.061 11.980 5.615 1.00 0.00 C ATOM 0 H ALA A 41 -14.245 9.744 6.012 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.907 11.439 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.414 12.759 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.005 12.421 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.573 11.508 6.468 1.00 0.00 H new ATOM 647 N ALA A 42 -11.484 9.393 4.274 1.00 0.00 N ATOM 648 CA ALA A 42 -10.319 8.855 3.593 1.00 0.00 C ATOM 649 C ALA A 42 -10.770 7.963 2.443 1.00 0.00 C ATOM 650 O ALA A 42 -10.070 7.801 1.450 1.00 0.00 O ATOM 651 CB ALA A 42 -9.428 8.092 4.556 1.00 0.00 C ATOM 0 H ALA A 42 -11.781 8.874 5.101 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.731 9.681 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.564 7.700 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.091 8.761 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.989 7.266 4.993 1.00 0.00 H new ATOM 657 N ALA A 43 -11.981 7.433 2.567 1.00 0.00 N ATOM 658 CA ALA A 43 -12.558 6.558 1.556 1.00 0.00 C ATOM 659 C ALA A 43 -12.865 7.346 0.288 1.00 0.00 C ATOM 660 O ALA A 43 -12.794 6.820 -0.826 1.00 0.00 O ATOM 661 CB ALA A 43 -13.811 5.894 2.098 1.00 0.00 C ATOM 0 H ALA A 43 -12.589 7.598 3.370 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.837 5.780 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.236 5.241 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.558 5.305 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.540 6.658 2.369 1.00 0.00 H new ATOM 667 N GLU A 44 -13.170 8.615 0.481 1.00 0.00 N ATOM 668 CA GLU A 44 -13.454 9.544 -0.593 1.00 0.00 C ATOM 669 C GLU A 44 -12.179 9.719 -1.448 1.00 0.00 C ATOM 670 O GLU A 44 -12.241 9.773 -2.673 1.00 0.00 O ATOM 671 CB GLU A 44 -13.940 10.868 0.043 1.00 0.00 C ATOM 672 CG GLU A 44 -14.676 11.848 -0.875 1.00 0.00 C ATOM 673 CD GLU A 44 -13.799 12.579 -1.849 1.00 0.00 C ATOM 674 OE1 GLU A 44 -13.138 13.552 -1.448 1.00 0.00 O ATOM 675 OE2 GLU A 44 -13.807 12.247 -3.038 1.00 0.00 O ATOM 0 H GLU A 44 -13.228 9.036 1.408 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.238 9.181 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.599 10.623 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.074 11.381 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.436 11.301 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.198 12.579 -0.258 1.00 0.00 H new ATOM 682 N PHE A 45 -11.015 9.716 -0.795 1.00 0.00 N ATOM 683 CA PHE A 45 -9.745 9.821 -1.508 1.00 0.00 C ATOM 684 C PHE A 45 -9.496 8.563 -2.347 1.00 0.00 C ATOM 685 O PHE A 45 -8.906 8.625 -3.434 1.00 0.00 O ATOM 686 CB PHE A 45 -8.567 10.080 -0.552 1.00 0.00 C ATOM 687 CG PHE A 45 -7.240 10.109 -1.262 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.874 11.200 -2.030 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.377 9.029 -1.185 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.673 11.214 -2.708 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.174 9.041 -1.859 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.822 10.135 -2.623 1.00 0.00 C ATOM 0 H PHE A 45 -10.928 9.643 0.219 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.814 10.681 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.722 11.030 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.548 9.304 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.536 12.050 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.649 8.169 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.400 12.071 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.507 8.194 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.881 10.145 -3.153 1.00 0.00 H new ATOM 702 N VAL A 46 -9.981 7.433 -1.866 1.00 0.00 N ATOM 703 CA VAL A 46 -9.854 6.182 -2.597 1.00 0.00 C ATOM 704 C VAL A 46 -10.690 6.272 -3.879 1.00 0.00 C ATOM 705 O VAL A 46 -10.323 5.724 -4.916 1.00 0.00 O ATOM 706 CB VAL A 46 -10.304 4.961 -1.747 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.070 3.656 -2.495 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.570 4.939 -0.423 1.00 0.00 C ATOM 0 H VAL A 46 -10.467 7.354 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.802 6.030 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.373 5.060 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.394 2.819 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.639 3.662 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.009 3.551 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.897 4.078 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.497 4.869 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.787 5.854 0.128 1.00 0.00 H new ATOM 718 N GLY A 47 -11.778 7.024 -3.801 1.00 0.00 N ATOM 719 CA GLY A 47 -12.621 7.252 -4.952 1.00 0.00 C ATOM 720 C GLY A 47 -12.009 8.276 -5.890 1.00 0.00 C ATOM 721 O GLY A 47 -12.323 8.319 -7.078 1.00 0.00 O ATOM 0 H GLY A 47 -12.093 7.485 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.774 6.314 -5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.602 7.596 -4.624 1.00 0.00 H new ATOM 725 N SER A 48 -11.151 9.114 -5.346 1.00 0.00 N ATOM 726 CA SER A 48 -10.427 10.086 -6.126 1.00 0.00 C ATOM 727 C SER A 48 -9.431 9.358 -7.041 1.00 0.00 C ATOM 728 O SER A 48 -9.322 9.672 -8.229 1.00 0.00 O ATOM 729 CB SER A 48 -9.706 11.089 -5.193 1.00 0.00 C ATOM 730 OG SER A 48 -8.993 12.091 -5.917 1.00 0.00 O ATOM 0 H SER A 48 -10.938 9.137 -4.349 1.00 0.00 H new ATOM 0 HA SER A 48 -11.120 10.653 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.439 11.567 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.013 10.548 -4.549 1.00 0.00 H new ATOM 0 HG SER A 48 -8.556 12.701 -5.287 1.00 0.00 H new ATOM 736 N VAL A 49 -8.736 8.368 -6.498 1.00 0.00 N ATOM 737 CA VAL A 49 -7.784 7.611 -7.292 1.00 0.00 C ATOM 738 C VAL A 49 -8.472 6.531 -8.134 1.00 0.00 C ATOM 739 O VAL A 49 -8.133 6.342 -9.292 1.00 0.00 O ATOM 740 CB VAL A 49 -6.600 7.019 -6.456 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.743 8.135 -5.892 1.00 0.00 C ATOM 742 CG2 VAL A 49 -7.090 6.127 -5.326 1.00 0.00 C ATOM 0 H VAL A 49 -8.813 8.075 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.336 8.333 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.004 6.406 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.924 7.708 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.337 8.731 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.351 8.770 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.235 5.738 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.724 6.706 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.662 5.297 -5.740 1.00 0.00 H new ATOM 752 N ASN A 50 -9.463 5.873 -7.573 1.00 0.00 N ATOM 753 CA ASN A 50 -10.185 4.837 -8.288 1.00 0.00 C ATOM 754 C ASN A 50 -11.561 5.318 -8.678 1.00 0.00 C ATOM 755 O ASN A 50 -12.438 5.491 -7.824 1.00 0.00 O ATOM 756 CB ASN A 50 -10.301 3.540 -7.476 1.00 0.00 C ATOM 757 CG ASN A 50 -8.991 2.801 -7.301 1.00 0.00 C ATOM 758 OD1 ASN A 50 -8.605 2.012 -8.152 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.339 2.991 -6.184 1.00 0.00 N ATOM 0 H ASN A 50 -9.790 6.036 -6.621 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.608 4.616 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.707 3.775 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.016 2.879 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.480 2.473 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.690 3.657 -5.496 1.00 0.00 H new ATOM 766 N GLY A 51 -11.750 5.539 -9.952 1.00 0.00 N ATOM 767 CA GLY A 51 -13.014 6.011 -10.453 1.00 0.00 C ATOM 768 C GLY A 51 -14.005 4.882 -10.630 1.00 0.00 C ATOM 769 O GLY A 51 -13.692 3.859 -11.261 1.00 0.00 O ATOM 0 H GLY A 51 -11.037 5.398 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.424 6.750 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.862 6.514 -11.408 1.00 0.00 H new ATOM 773 N GLY A 52 -15.179 5.047 -10.070 1.00 0.00 N ATOM 774 CA GLY A 52 -16.204 4.043 -10.165 1.00 0.00 C ATOM 775 C GLY A 52 -15.988 2.929 -9.172 1.00 0.00 C ATOM 776 O GLY A 52 -16.534 2.950 -8.070 1.00 0.00 O ATOM 0 H GLY A 52 -15.447 5.876 -9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.178 4.500 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.219 3.633 -11.175 1.00 0.00 H new ATOM 780 N ASN A 53 -15.170 1.981 -9.542 1.00 0.00 N ATOM 781 CA ASN A 53 -14.879 0.846 -8.692 1.00 0.00 C ATOM 782 C ASN A 53 -13.718 1.162 -7.793 1.00 0.00 C ATOM 783 O ASN A 53 -12.629 1.509 -8.269 1.00 0.00 O ATOM 784 CB ASN A 53 -14.560 -0.429 -9.500 1.00 0.00 C ATOM 785 CG ASN A 53 -15.751 -1.040 -10.207 1.00 0.00 C ATOM 786 OD1 ASN A 53 -16.884 -0.945 -9.745 1.00 0.00 O ATOM 787 ND2 ASN A 53 -15.505 -1.689 -11.316 1.00 0.00 N ATOM 0 H ASN A 53 -14.684 1.969 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.775 0.653 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.796 -0.193 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.132 -1.172 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.267 -2.136 -11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.551 -1.748 -11.671 1.00 0.00 H new ATOM 794 N ARG A 54 -13.939 1.058 -6.511 1.00 0.00 N ATOM 795 CA ARG A 54 -12.899 1.287 -5.544 1.00 0.00 C ATOM 796 C ARG A 54 -12.032 0.053 -5.421 1.00 0.00 C ATOM 797 O ARG A 54 -12.397 -0.903 -4.730 1.00 0.00 O ATOM 798 CB ARG A 54 -13.467 1.660 -4.164 1.00 0.00 C ATOM 799 CG ARG A 54 -14.111 3.039 -4.065 1.00 0.00 C ATOM 800 CD ARG A 54 -14.629 3.288 -2.649 1.00 0.00 C ATOM 801 NE ARG A 54 -15.213 4.629 -2.476 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.000 5.001 -1.448 1.00 0.00 C ATOM 803 NH1 ARG A 54 -16.522 4.078 -0.635 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.324 6.284 -1.286 1.00 0.00 N ATOM 0 H ARG A 54 -14.843 0.813 -6.107 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.302 2.129 -5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.208 0.912 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.661 1.602 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.384 3.806 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.932 3.115 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.380 2.537 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.810 3.161 -1.941 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.006 5.329 -3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.325 3.090 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.118 4.362 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.976 6.984 -1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.920 6.565 -0.507 1.00 0.00 H new ATOM 818 N THR A 55 -10.956 0.028 -6.166 1.00 0.00 N ATOM 819 CA THR A 55 -9.988 -1.032 -6.074 1.00 0.00 C ATOM 820 C THR A 55 -9.342 -0.924 -4.720 1.00 0.00 C ATOM 821 O THR A 55 -8.819 0.146 -4.369 1.00 0.00 O ATOM 822 CB THR A 55 -8.928 -0.861 -7.157 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.596 -0.589 -8.405 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.112 -2.132 -7.304 1.00 0.00 C ATOM 0 H THR A 55 -10.727 0.745 -6.855 1.00 0.00 H new ATOM 0 HA THR A 55 -10.464 -2.003 -6.207 1.00 0.00 H new ATOM 0 HB THR A 55 -8.261 -0.043 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.450 0.347 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.360 -1.994 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.620 -2.360 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.770 -2.957 -7.578 1.00 0.00 H new ATOM 832 N VAL A 56 -9.392 -1.977 -3.949 1.00 0.00 N ATOM 833 CA VAL A 56 -8.929 -1.858 -2.601 1.00 0.00 C ATOM 834 C VAL A 56 -7.477 -1.759 -2.459 1.00 0.00 C ATOM 835 O VAL A 56 -7.035 -0.744 -1.939 1.00 0.00 O ATOM 836 CB VAL A 56 -9.411 -2.906 -1.623 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.028 -2.487 -0.205 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.850 -3.037 -1.717 1.00 0.00 C ATOM 0 H VAL A 56 -9.737 -2.897 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.398 -0.911 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.948 -3.864 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.374 -3.240 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.944 -2.392 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.492 -1.529 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.193 -3.793 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.318 -2.081 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.123 -3.335 -2.729 1.00 0.00 H new ATOM 848 N PRO A 57 -6.642 -2.774 -2.899 1.00 0.00 N ATOM 849 CA PRO A 57 -5.306 -2.754 -2.501 1.00 0.00 C ATOM 850 C PRO A 57 -4.459 -1.737 -3.299 1.00 0.00 C ATOM 851 O PRO A 57 -3.681 -2.072 -4.221 1.00 0.00 O ATOM 852 CB PRO A 57 -4.815 -4.173 -2.625 1.00 0.00 C ATOM 853 CG PRO A 57 -5.593 -4.705 -3.782 1.00 0.00 C ATOM 854 CD PRO A 57 -6.902 -3.931 -3.807 1.00 0.00 C ATOM 0 HA PRO A 57 -5.208 -2.407 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.741 -4.213 -2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.003 -4.745 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.044 -4.571 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.775 -5.774 -3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.154 -3.601 -4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.734 -4.539 -3.453 1.00 0.00 H new ATOM 862 N THR A 58 -4.716 -0.543 -2.989 1.00 0.00 N ATOM 863 CA THR A 58 -4.123 0.591 -3.505 1.00 0.00 C ATOM 864 C THR A 58 -3.211 1.100 -2.398 1.00 0.00 C ATOM 865 O THR A 58 -3.538 0.964 -1.214 1.00 0.00 O ATOM 866 CB THR A 58 -5.267 1.594 -3.839 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.182 0.972 -4.774 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.753 2.873 -4.458 1.00 0.00 C ATOM 0 H THR A 58 -5.425 -0.318 -2.291 1.00 0.00 H new ATOM 0 HA THR A 58 -3.544 0.431 -4.414 1.00 0.00 H new ATOM 0 HB THR A 58 -5.761 1.847 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.038 0.800 -4.329 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.591 3.537 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.069 3.363 -3.765 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.228 2.643 -5.385 1.00 0.00 H new ATOM 876 N VAL A 59 -2.076 1.594 -2.748 1.00 0.00 N ATOM 877 CA VAL A 59 -1.113 1.994 -1.766 1.00 0.00 C ATOM 878 C VAL A 59 -0.486 3.327 -2.135 1.00 0.00 C ATOM 879 O VAL A 59 -0.210 3.586 -3.307 1.00 0.00 O ATOM 880 CB VAL A 59 -0.026 0.881 -1.589 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.594 0.512 -2.913 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.046 1.281 -0.590 1.00 0.00 C ATOM 0 H VAL A 59 -1.784 1.734 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.622 2.125 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.534 0.004 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.345 -0.263 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.179 0.140 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.065 1.392 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.778 0.478 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.543 2.188 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.588 1.464 0.382 1.00 0.00 H new ATOM 892 N LYS A 60 -0.303 4.157 -1.155 1.00 0.00 N ATOM 893 CA LYS A 60 0.321 5.433 -1.333 1.00 0.00 C ATOM 894 C LYS A 60 1.731 5.361 -0.790 1.00 0.00 C ATOM 895 O LYS A 60 1.946 4.899 0.336 1.00 0.00 O ATOM 896 CB LYS A 60 -0.455 6.527 -0.585 1.00 0.00 C ATOM 897 CG LYS A 60 0.215 7.895 -0.662 1.00 0.00 C ATOM 898 CD LYS A 60 -0.487 8.954 0.172 1.00 0.00 C ATOM 899 CE LYS A 60 -1.862 9.298 -0.363 1.00 0.00 C ATOM 900 NZ LYS A 60 -2.473 10.405 0.395 1.00 0.00 N ATOM 0 H LYS A 60 -0.587 3.965 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 60 0.331 5.681 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.461 6.598 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.560 6.239 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.249 7.805 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.243 8.221 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.578 8.601 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.125 9.856 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.786 9.574 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.505 8.420 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.413 10.616 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.567 10.131 1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.870 11.250 0.323 1.00 0.00 H new ATOM 914 N PHE A 61 2.678 5.768 -1.587 1.00 0.00 N ATOM 915 CA PHE A 61 4.053 5.807 -1.160 1.00 0.00 C ATOM 916 C PHE A 61 4.532 7.225 -1.061 1.00 0.00 C ATOM 917 O PHE A 61 3.926 8.144 -1.622 1.00 0.00 O ATOM 918 CB PHE A 61 4.979 5.098 -2.151 1.00 0.00 C ATOM 919 CG PHE A 61 4.930 3.617 -2.175 1.00 0.00 C ATOM 920 CD1 PHE A 61 5.773 2.877 -1.361 1.00 0.00 C ATOM 921 CD2 PHE A 61 4.078 2.959 -3.031 1.00 0.00 C ATOM 922 CE1 PHE A 61 5.759 1.507 -1.408 1.00 0.00 C ATOM 923 CE2 PHE A 61 4.053 1.587 -3.082 1.00 0.00 C ATOM 924 CZ PHE A 61 4.894 0.857 -2.276 1.00 0.00 C ATOM 0 H PHE A 61 2.523 6.081 -2.545 1.00 0.00 H new ATOM 0 HA PHE A 61 4.086 5.306 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.746 5.461 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.003 5.400 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.446 3.383 -0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.420 3.528 -3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.419 0.936 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.374 1.083 -3.754 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.881 -0.222 -2.319 1.00 0.00 H new ATOM 934 N ALA A 62 5.675 7.377 -0.415 1.00 0.00 N ATOM 935 CA ALA A 62 6.413 8.640 -0.351 1.00 0.00 C ATOM 936 C ALA A 62 7.009 8.946 -1.734 1.00 0.00 C ATOM 937 O ALA A 62 7.565 10.010 -1.981 1.00 0.00 O ATOM 938 CB ALA A 62 7.508 8.559 0.699 1.00 0.00 C ATOM 0 H ALA A 62 6.130 6.617 0.091 1.00 0.00 H new ATOM 0 HA ALA A 62 5.734 9.445 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.048 9.505 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.063 8.357 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.199 7.756 0.443 1.00 0.00 H new ATOM 944 N ASP A 63 6.897 7.951 -2.607 1.00 0.00 N ATOM 945 CA ASP A 63 7.338 7.975 -4.010 1.00 0.00 C ATOM 946 C ASP A 63 6.564 9.041 -4.815 1.00 0.00 C ATOM 947 O ASP A 63 6.976 9.437 -5.903 1.00 0.00 O ATOM 948 CB ASP A 63 7.125 6.560 -4.604 1.00 0.00 C ATOM 949 CG ASP A 63 7.519 6.397 -6.058 1.00 0.00 C ATOM 950 OD1 ASP A 63 8.688 6.574 -6.391 1.00 0.00 O ATOM 951 OD2 ASP A 63 6.651 6.045 -6.887 1.00 0.00 O ATOM 0 H ASP A 63 6.476 7.058 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 63 8.393 8.244 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.694 5.846 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.073 6.295 -4.499 1.00 0.00 H new ATOM 956 N GLY A 64 5.440 9.492 -4.267 1.00 0.00 N ATOM 957 CA GLY A 64 4.709 10.590 -4.871 1.00 0.00 C ATOM 958 C GLY A 64 3.557 10.150 -5.735 1.00 0.00 C ATOM 959 O GLY A 64 2.937 10.972 -6.424 1.00 0.00 O ATOM 0 H GLY A 64 5.023 9.116 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.332 11.241 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.396 11.184 -5.473 1.00 0.00 H new ATOM 963 N SER A 65 3.247 8.884 -5.700 1.00 0.00 N ATOM 964 CA SER A 65 2.167 8.369 -6.476 1.00 0.00 C ATOM 965 C SER A 65 1.576 7.160 -5.754 1.00 0.00 C ATOM 966 O SER A 65 2.124 6.704 -4.719 1.00 0.00 O ATOM 967 CB SER A 65 2.661 8.006 -7.891 1.00 0.00 C ATOM 968 OG SER A 65 1.577 7.730 -8.776 1.00 0.00 O ATOM 0 H SER A 65 3.735 8.189 -5.135 1.00 0.00 H new ATOM 0 HA SER A 65 1.387 9.122 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.256 8.827 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.315 7.136 -7.835 1.00 0.00 H new ATOM 0 HG SER A 65 1.928 7.506 -9.663 1.00 0.00 H new ATOM 974 N THR A 66 0.491 6.646 -6.275 1.00 0.00 N ATOM 975 CA THR A 66 -0.187 5.534 -5.691 1.00 0.00 C ATOM 976 C THR A 66 -0.098 4.339 -6.621 1.00 0.00 C ATOM 977 O THR A 66 -0.188 4.483 -7.840 1.00 0.00 O ATOM 978 CB THR A 66 -1.681 5.868 -5.436 1.00 0.00 C ATOM 979 OG1 THR A 66 -2.276 6.411 -6.636 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.845 6.861 -4.294 1.00 0.00 C ATOM 0 H THR A 66 0.054 6.998 -7.127 1.00 0.00 H new ATOM 0 HA THR A 66 0.290 5.305 -4.738 1.00 0.00 H new ATOM 0 HB THR A 66 -2.186 4.943 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.219 6.618 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.904 7.071 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.426 6.438 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.322 7.786 -4.538 1.00 0.00 H new ATOM 988 N LEU A 67 0.109 3.187 -6.064 1.00 0.00 N ATOM 989 CA LEU A 67 0.151 1.975 -6.834 1.00 0.00 C ATOM 990 C LEU A 67 -1.117 1.205 -6.587 1.00 0.00 C ATOM 991 O LEU A 67 -1.738 1.349 -5.534 1.00 0.00 O ATOM 992 CB LEU A 67 1.401 1.118 -6.532 1.00 0.00 C ATOM 993 CG LEU A 67 2.735 1.578 -7.161 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.235 2.913 -6.625 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.794 0.497 -7.050 1.00 0.00 C ATOM 0 H LEU A 67 0.254 3.056 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 67 0.226 2.238 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.532 1.079 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.202 0.100 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 67 2.528 1.748 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.175 3.171 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.496 3.687 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.393 2.837 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.722 0.849 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.967 0.264 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.455 -0.399 -7.570 1.00 0.00 H new ATOM 1007 N THR A 68 -1.523 0.437 -7.539 1.00 0.00 N ATOM 1008 CA THR A 68 -2.744 -0.300 -7.447 1.00 0.00 C ATOM 1009 C THR A 68 -2.463 -1.740 -7.845 1.00 0.00 C ATOM 1010 O THR A 68 -2.093 -2.005 -8.983 1.00 0.00 O ATOM 1011 CB THR A 68 -3.793 0.335 -8.381 1.00 0.00 C ATOM 1012 OG1 THR A 68 -3.814 1.762 -8.135 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.173 -0.224 -8.101 1.00 0.00 C ATOM 0 H THR A 68 -1.015 0.299 -8.413 1.00 0.00 H new ATOM 0 HA THR A 68 -3.135 -0.279 -6.430 1.00 0.00 H new ATOM 0 HB THR A 68 -3.529 0.115 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.475 2.185 -8.722 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.896 0.239 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.168 -1.302 -8.261 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.449 -0.012 -7.068 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.593 -2.650 -6.879 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.267 -4.088 -7.059 1.00 0.00 C ATOM 1023 C ASN A 69 -0.775 -4.341 -7.424 1.00 0.00 C ATOM 1024 O ASN A 69 -0.496 -5.174 -8.298 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.167 -4.755 -8.132 1.00 0.00 C ATOM 1026 CG ASN A 69 -4.613 -4.911 -7.727 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.437 -4.021 -7.939 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.943 -6.049 -7.160 1.00 0.00 N ATOM 0 H ASN A 69 -2.927 -2.422 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.459 -4.542 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.121 -4.163 -9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.761 -5.739 -8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.909 -6.218 -6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.233 -6.764 -7.000 1.00 0.00 H new ATOM 1035 N PRO A 70 0.220 -3.691 -6.751 1.00 0.00 N ATOM 1036 CA PRO A 70 1.634 -3.916 -7.076 1.00 0.00 C ATOM 1037 C PRO A 70 2.128 -5.238 -6.494 1.00 0.00 C ATOM 1038 O PRO A 70 1.509 -5.795 -5.578 1.00 0.00 O ATOM 1039 CB PRO A 70 2.326 -2.758 -6.377 1.00 0.00 C ATOM 1040 CG PRO A 70 1.497 -2.540 -5.166 1.00 0.00 C ATOM 1041 CD PRO A 70 0.081 -2.734 -5.620 1.00 0.00 C ATOM 0 HA PRO A 70 1.820 -3.966 -8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.357 -3.003 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.357 -1.869 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.758 -3.246 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.647 -1.539 -4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.546 -3.137 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.373 -1.796 -5.939 1.00 0.00 H new ATOM 1049 N SER A 71 3.203 -5.746 -7.016 1.00 0.00 N ATOM 1050 CA SER A 71 3.760 -6.961 -6.504 1.00 0.00 C ATOM 1051 C SER A 71 4.660 -6.645 -5.300 1.00 0.00 C ATOM 1052 O SER A 71 5.177 -5.518 -5.184 1.00 0.00 O ATOM 1053 CB SER A 71 4.534 -7.665 -7.603 1.00 0.00 C ATOM 1054 OG SER A 71 3.710 -7.838 -8.758 1.00 0.00 O ATOM 0 H SER A 71 3.713 -5.337 -7.799 1.00 0.00 H new ATOM 0 HA SER A 71 2.964 -7.626 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.419 -7.084 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.882 -8.635 -7.248 1.00 0.00 H new ATOM 0 HG SER A 71 4.222 -8.292 -9.460 1.00 0.00 H new ATOM 1060 N ALA A 72 4.836 -7.624 -4.425 1.00 0.00 N ATOM 1061 CA ALA A 72 5.612 -7.482 -3.192 1.00 0.00 C ATOM 1062 C ALA A 72 7.027 -6.971 -3.457 1.00 0.00 C ATOM 1063 O ALA A 72 7.522 -6.087 -2.745 1.00 0.00 O ATOM 1064 CB ALA A 72 5.654 -8.809 -2.451 1.00 0.00 C ATOM 0 H ALA A 72 4.439 -8.556 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 72 5.115 -6.736 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.233 -8.696 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.639 -9.119 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.120 -9.564 -3.084 1.00 0.00 H new ATOM 1070 N ASP A 73 7.651 -7.499 -4.497 1.00 0.00 N ATOM 1071 CA ASP A 73 9.004 -7.096 -4.889 1.00 0.00 C ATOM 1072 C ASP A 73 9.064 -5.625 -5.257 1.00 0.00 C ATOM 1073 O ASP A 73 9.994 -4.923 -4.871 1.00 0.00 O ATOM 1074 CB ASP A 73 9.525 -7.943 -6.053 1.00 0.00 C ATOM 1075 CG ASP A 73 10.894 -7.496 -6.532 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.908 -7.836 -5.897 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.985 -6.801 -7.556 1.00 0.00 O ATOM 0 H ASP A 73 7.242 -8.217 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 73 9.644 -7.262 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.575 -8.987 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.819 -7.889 -6.881 1.00 0.00 H new ATOM 1082 N GLU A 74 8.039 -5.154 -5.960 1.00 0.00 N ATOM 1083 CA GLU A 74 7.967 -3.765 -6.407 1.00 0.00 C ATOM 1084 C GLU A 74 7.818 -2.848 -5.223 1.00 0.00 C ATOM 1085 O GLU A 74 8.430 -1.783 -5.164 1.00 0.00 O ATOM 1086 CB GLU A 74 6.790 -3.566 -7.328 1.00 0.00 C ATOM 1087 CG GLU A 74 6.811 -4.441 -8.546 1.00 0.00 C ATOM 1088 CD GLU A 74 5.630 -4.194 -9.414 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.559 -4.738 -9.127 1.00 0.00 O ATOM 1090 OE2 GLU A 74 5.762 -3.465 -10.426 1.00 0.00 O ATOM 0 H GLU A 74 7.237 -5.721 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 74 8.888 -3.533 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.872 -3.756 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.761 -2.523 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.724 -4.257 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.829 -5.488 -8.243 1.00 0.00 H new ATOM 1097 N VAL A 75 7.000 -3.278 -4.280 1.00 0.00 N ATOM 1098 CA VAL A 75 6.778 -2.548 -3.050 1.00 0.00 C ATOM 1099 C VAL A 75 8.089 -2.423 -2.286 1.00 0.00 C ATOM 1100 O VAL A 75 8.444 -1.354 -1.808 1.00 0.00 O ATOM 1101 CB VAL A 75 5.714 -3.259 -2.163 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.552 -2.563 -0.822 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.376 -3.319 -2.882 1.00 0.00 C ATOM 0 H VAL A 75 6.470 -4.147 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 75 6.404 -1.555 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 75 6.066 -4.274 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.802 -3.086 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.504 -2.570 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.234 -1.533 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.644 -3.819 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.035 -2.307 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.488 -3.874 -3.813 1.00 0.00 H new ATOM 1113 N LYS A 76 8.821 -3.515 -2.230 1.00 0.00 N ATOM 1114 CA LYS A 76 10.080 -3.553 -1.527 1.00 0.00 C ATOM 1115 C LYS A 76 11.128 -2.692 -2.254 1.00 0.00 C ATOM 1116 O LYS A 76 11.863 -1.947 -1.621 1.00 0.00 O ATOM 1117 CB LYS A 76 10.559 -5.005 -1.388 1.00 0.00 C ATOM 1118 CG LYS A 76 11.674 -5.225 -0.372 1.00 0.00 C ATOM 1119 CD LYS A 76 11.228 -4.820 1.032 1.00 0.00 C ATOM 1120 CE LYS A 76 12.237 -5.218 2.098 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.334 -6.693 2.268 1.00 0.00 N ATOM 0 H LYS A 76 8.559 -4.397 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 76 9.942 -3.139 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.708 -5.627 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.903 -5.352 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.970 -6.274 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.551 -4.646 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.075 -3.741 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.267 -5.285 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.217 -4.821 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.955 -4.764 3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.034 -6.912 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.407 -7.072 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.629 -7.127 1.370 1.00 0.00 H new ATOM 1135 N ALA A 77 11.144 -2.772 -3.579 1.00 0.00 N ATOM 1136 CA ALA A 77 12.083 -2.010 -4.407 1.00 0.00 C ATOM 1137 C ALA A 77 11.807 -0.512 -4.311 1.00 0.00 C ATOM 1138 O ALA A 77 12.736 0.303 -4.285 1.00 0.00 O ATOM 1139 CB ALA A 77 12.015 -2.472 -5.851 1.00 0.00 C ATOM 0 H ALA A 77 10.509 -3.365 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 77 13.090 -2.193 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.719 -1.895 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.272 -3.530 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.005 -2.323 -6.233 1.00 0.00 H new ATOM 1145 N LYS A 78 10.539 -0.143 -4.269 1.00 0.00 N ATOM 1146 CA LYS A 78 10.185 1.247 -4.058 1.00 0.00 C ATOM 1147 C LYS A 78 10.520 1.664 -2.657 1.00 0.00 C ATOM 1148 O LYS A 78 11.039 2.750 -2.454 1.00 0.00 O ATOM 1149 CB LYS A 78 8.711 1.549 -4.380 1.00 0.00 C ATOM 1150 CG LYS A 78 8.402 1.735 -5.865 1.00 0.00 C ATOM 1151 CD LYS A 78 9.171 2.931 -6.432 1.00 0.00 C ATOM 1152 CE LYS A 78 8.802 3.245 -7.877 1.00 0.00 C ATOM 1153 NZ LYS A 78 7.400 3.699 -8.031 1.00 0.00 N ATOM 0 H LYS A 78 9.748 -0.778 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 78 10.779 1.833 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.096 0.736 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.415 2.452 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.669 0.832 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.331 1.886 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.976 3.808 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.241 2.730 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.472 4.016 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.959 2.356 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.090 3.543 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.788 3.161 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.336 4.712 -7.805 1.00 0.00 H new ATOM 1167 N LEU A 79 10.275 0.786 -1.705 1.00 0.00 N ATOM 1168 CA LEU A 79 10.523 1.083 -0.309 1.00 0.00 C ATOM 1169 C LEU A 79 11.995 1.390 -0.077 1.00 0.00 C ATOM 1170 O LEU A 79 12.331 2.424 0.471 1.00 0.00 O ATOM 1171 CB LEU A 79 10.090 -0.073 0.609 1.00 0.00 C ATOM 1172 CG LEU A 79 10.121 0.192 2.122 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.198 1.331 2.540 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.810 -1.063 2.907 1.00 0.00 C ATOM 0 H LEU A 79 9.901 -0.147 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 79 9.925 1.960 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.075 -0.361 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.731 -0.930 0.401 1.00 0.00 H new ATOM 0 HG LEU A 79 11.139 0.504 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.261 1.473 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.500 2.248 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.172 1.087 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.840 -0.842 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.817 -1.423 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.549 -1.830 2.675 1.00 0.00 H new ATOM 1186 N VAL A 80 12.860 0.511 -0.549 1.00 0.00 N ATOM 1187 CA VAL A 80 14.293 0.656 -0.338 1.00 0.00 C ATOM 1188 C VAL A 80 14.853 1.935 -0.965 1.00 0.00 C ATOM 1189 O VAL A 80 15.786 2.524 -0.439 1.00 0.00 O ATOM 1190 CB VAL A 80 15.099 -0.587 -0.815 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.676 -1.835 -0.066 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.978 -0.790 -2.308 1.00 0.00 C ATOM 0 H VAL A 80 12.595 -0.316 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 80 14.419 0.735 0.742 1.00 0.00 H new ATOM 0 HB VAL A 80 16.149 -0.397 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.256 -2.687 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.851 -1.696 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.616 -2.021 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.554 -1.667 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.931 -0.938 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.362 0.088 -2.827 1.00 0.00 H new ATOM 1202 N LYS A 81 14.267 2.384 -2.066 1.00 0.00 N ATOM 1203 CA LYS A 81 14.757 3.583 -2.701 1.00 0.00 C ATOM 1204 C LYS A 81 14.226 4.843 -2.011 1.00 0.00 C ATOM 1205 O LYS A 81 14.993 5.756 -1.719 1.00 0.00 O ATOM 1206 CB LYS A 81 14.495 3.606 -4.231 1.00 0.00 C ATOM 1207 CG LYS A 81 13.042 3.686 -4.639 1.00 0.00 C ATOM 1208 CD LYS A 81 12.827 3.774 -6.162 1.00 0.00 C ATOM 1209 CE LYS A 81 13.106 2.460 -6.920 1.00 0.00 C ATOM 1210 NZ LYS A 81 14.545 2.134 -7.059 1.00 0.00 N ATOM 0 H LYS A 81 13.470 1.943 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 81 15.840 3.575 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.023 4.458 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.929 2.708 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.519 2.809 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.589 4.558 -4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.799 4.080 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.472 4.555 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.608 1.641 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.662 2.525 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.730 1.780 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.113 2.989 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.804 1.404 -6.365 1.00 0.00 H new ATOM 1224 N ILE A 82 12.936 4.872 -1.686 1.00 0.00 N ATOM 1225 CA ILE A 82 12.355 6.078 -1.115 1.00 0.00 C ATOM 1226 C ILE A 82 12.596 6.213 0.387 1.00 0.00 C ATOM 1227 O ILE A 82 12.515 7.309 0.936 1.00 0.00 O ATOM 1228 CB ILE A 82 10.833 6.314 -1.507 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.877 5.156 -1.109 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.713 6.556 -2.997 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.620 4.979 0.365 1.00 0.00 C ATOM 0 H ILE A 82 12.288 4.093 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 82 12.905 6.891 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 82 10.520 7.187 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.920 5.316 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.287 4.224 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.667 6.717 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.294 7.437 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.092 5.689 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.939 4.142 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.561 4.779 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.173 5.888 0.768 1.00 0.00 H new ATOM 1243 N ALA A 83 12.897 5.106 1.043 1.00 0.00 N ATOM 1244 CA ALA A 83 13.124 5.123 2.479 1.00 0.00 C ATOM 1245 C ALA A 83 14.614 5.118 2.810 1.00 0.00 C ATOM 1246 O ALA A 83 15.012 5.029 3.982 1.00 0.00 O ATOM 1247 CB ALA A 83 12.401 3.973 3.152 1.00 0.00 C ATOM 0 H ALA A 83 12.990 4.188 0.608 1.00 0.00 H new ATOM 0 HA ALA A 83 12.712 6.052 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.585 4.006 4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.330 4.057 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.767 3.028 2.750 1.00 0.00 H new