USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 Single : A 9 SER OG : rot -29:sc= 0.203 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.213) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 160:sc= -1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 135:sc= 0.0906 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= -0.957 (180deg=-3.44!) USER MOD Single : A 52 ASN : amide:sc= -0.237 X(o=-0.24,f=0.088) USER MOD Single : A 53 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.7!) USER MOD Single : A 66 CYS SG : rot -74:sc= -5.45! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.065 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.029 1.354 4.091 1.00 0.00 N ATOM 79 CA SER A 9 -11.132 0.231 3.875 1.00 0.00 C ATOM 80 C SER A 9 -11.939 -1.035 3.580 1.00 0.00 C ATOM 81 O SER A 9 -13.117 -1.118 3.924 1.00 0.00 O ATOM 82 CB SER A 9 -10.223 0.011 5.086 1.00 0.00 C ATOM 83 OG SER A 9 -10.944 0.074 6.313 1.00 0.00 O ATOM 0 HA SER A 9 -10.500 0.459 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.735 -0.960 5.002 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.435 0.764 5.089 1.00 0.00 H new ATOM 0 HG SER A 9 -11.715 0.670 6.209 1.00 0.00 H new ATOM 89 N LYS A 10 -11.273 -1.989 2.947 1.00 0.00 N ATOM 90 CA LYS A 10 -11.914 -3.247 2.602 1.00 0.00 C ATOM 91 C LYS A 10 -10.846 -4.332 2.446 1.00 0.00 C ATOM 92 O LYS A 10 -9.678 -4.029 2.207 1.00 0.00 O ATOM 93 CB LYS A 10 -12.802 -3.075 1.368 1.00 0.00 C ATOM 94 CG LYS A 10 -11.981 -2.614 0.162 1.00 0.00 C ATOM 95 CD LYS A 10 -12.263 -3.490 -1.060 1.00 0.00 C ATOM 96 CE LYS A 10 -12.016 -2.718 -2.358 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.618 -3.429 -3.507 1.00 0.00 N ATOM 0 H LYS A 10 -10.296 -1.917 2.664 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.580 -3.568 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.296 -4.019 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.586 -2.348 1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.218 -1.575 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.919 -2.653 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.627 -4.375 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.295 -3.839 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.441 -1.717 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.945 -2.598 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.441 -2.891 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.194 -4.375 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.643 -3.522 -3.359 1.00 0.00 H new ATOM 111 N PRO A 11 -11.297 -5.606 2.590 1.00 0.00 N ATOM 112 CA PRO A 11 -10.394 -6.738 2.467 1.00 0.00 C ATOM 113 C PRO A 11 -10.033 -6.995 1.003 1.00 0.00 C ATOM 114 O PRO A 11 -10.874 -7.434 0.220 1.00 0.00 O ATOM 115 CB PRO A 11 -11.132 -7.902 3.110 1.00 0.00 C ATOM 116 CG PRO A 11 -12.596 -7.495 3.150 1.00 0.00 C ATOM 117 CD PRO A 11 -12.674 -6.003 2.873 1.00 0.00 C ATOM 0 HA PRO A 11 -9.437 -6.568 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.996 -8.817 2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.753 -8.098 4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.167 -8.051 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.030 -7.726 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.329 -5.791 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.074 -5.461 3.730 1.00 0.00 H new ATOM 125 N ILE A 12 -8.781 -6.710 0.677 1.00 0.00 N ATOM 126 CA ILE A 12 -8.298 -6.905 -0.680 1.00 0.00 C ATOM 127 C ILE A 12 -7.350 -8.105 -0.712 1.00 0.00 C ATOM 128 O ILE A 12 -6.951 -8.614 0.335 1.00 0.00 O ATOM 129 CB ILE A 12 -7.675 -5.615 -1.217 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.470 -5.195 -0.373 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.720 -4.502 -1.318 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.497 -4.343 -1.192 1.00 0.00 C ATOM 0 H ILE A 12 -8.086 -6.346 1.329 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.127 -7.135 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.310 -5.806 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.809 -4.632 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.957 -6.081 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.251 -3.596 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.518 -4.812 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.137 -4.304 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.650 -4.058 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.141 -4.918 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.006 -3.446 -1.544 1.00 0.00 H new ATOM 144 N LYS A 13 -7.015 -8.522 -1.924 1.00 0.00 N ATOM 145 CA LYS A 13 -6.121 -9.653 -2.106 1.00 0.00 C ATOM 146 C LYS A 13 -4.864 -9.190 -2.844 1.00 0.00 C ATOM 147 O LYS A 13 -4.952 -8.474 -3.840 1.00 0.00 O ATOM 148 CB LYS A 13 -6.851 -10.807 -2.797 1.00 0.00 C ATOM 149 CG LYS A 13 -5.862 -11.873 -3.274 1.00 0.00 C ATOM 150 CD LYS A 13 -6.188 -13.236 -2.661 1.00 0.00 C ATOM 151 CE LYS A 13 -7.397 -13.873 -3.350 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.584 -13.818 -2.468 1.00 0.00 N ATOM 0 H LYS A 13 -7.347 -8.097 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.798 -10.043 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.568 -11.253 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.419 -10.427 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.893 -11.942 -4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.848 -11.581 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.325 -13.895 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.391 -13.121 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.606 -13.353 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.174 -14.909 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.308 -14.477 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.311 -14.087 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.968 -12.852 -2.463 1.00 0.00 H new ATOM 166 N VAL A 14 -3.721 -9.618 -2.326 1.00 0.00 N ATOM 167 CA VAL A 14 -2.447 -9.256 -2.923 1.00 0.00 C ATOM 168 C VAL A 14 -1.642 -10.526 -3.206 1.00 0.00 C ATOM 169 O VAL A 14 -1.291 -11.260 -2.283 1.00 0.00 O ATOM 170 CB VAL A 14 -1.708 -8.267 -2.020 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.252 -8.102 -2.463 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.426 -6.917 -1.981 1.00 0.00 C ATOM 0 H VAL A 14 -3.651 -10.212 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.602 -8.751 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.706 -8.674 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.251 -7.394 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.255 -9.066 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.223 -7.729 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.879 -6.233 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.474 -6.501 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.436 -7.053 -1.596 1.00 0.00 H new ATOM 182 N THR A 15 -1.373 -10.746 -4.484 1.00 0.00 N ATOM 183 CA THR A 15 -0.616 -11.914 -4.899 1.00 0.00 C ATOM 184 C THR A 15 0.885 -11.625 -4.842 1.00 0.00 C ATOM 185 O THR A 15 1.328 -10.546 -5.233 1.00 0.00 O ATOM 186 CB THR A 15 -1.103 -12.324 -6.291 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.406 -12.854 -6.060 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.317 -13.505 -6.863 1.00 0.00 C ATOM 0 H THR A 15 -1.666 -10.135 -5.246 1.00 0.00 H new ATOM 0 HA THR A 15 -0.780 -12.752 -4.221 1.00 0.00 H new ATOM 0 HB THR A 15 -1.023 -11.474 -6.968 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.797 -13.143 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.703 -13.755 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.737 -13.237 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.423 -14.366 -6.204 1.00 0.00 H new ATOM 196 N LEU A 16 1.627 -12.608 -4.352 1.00 0.00 N ATOM 197 CA LEU A 16 3.069 -12.472 -4.238 1.00 0.00 C ATOM 198 C LEU A 16 3.699 -12.593 -5.627 1.00 0.00 C ATOM 199 O LEU A 16 3.073 -13.105 -6.554 1.00 0.00 O ATOM 200 CB LEU A 16 3.623 -13.472 -3.222 1.00 0.00 C ATOM 201 CG LEU A 16 3.283 -13.197 -1.756 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.581 -14.419 -0.885 1.00 0.00 C ATOM 203 CD2 LEU A 16 4.002 -11.945 -1.252 1.00 0.00 C ATOM 0 H LEU A 16 1.256 -13.502 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 16 3.330 -11.486 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.253 -14.464 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.708 -13.500 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 16 2.213 -13.004 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.330 -14.196 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.985 -15.265 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.640 -14.668 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.743 -11.772 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.080 -12.084 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.697 -11.085 -1.848 1.00 0.00 H new ATOM 215 N PRO A 17 4.963 -12.102 -5.730 1.00 0.00 N ATOM 216 CA PRO A 17 5.684 -12.150 -6.990 1.00 0.00 C ATOM 217 C PRO A 17 6.175 -13.569 -7.287 1.00 0.00 C ATOM 218 O PRO A 17 6.832 -13.803 -8.300 1.00 0.00 O ATOM 219 CB PRO A 17 6.818 -11.151 -6.833 1.00 0.00 C ATOM 220 CG PRO A 17 6.969 -10.923 -5.338 1.00 0.00 C ATOM 221 CD PRO A 17 5.735 -11.489 -4.653 1.00 0.00 C ATOM 0 HA PRO A 17 5.057 -11.890 -7.843 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.741 -11.538 -7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.591 -10.218 -7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.870 -11.412 -4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.071 -9.859 -5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.005 -12.222 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.165 -10.706 -4.153 1.00 0.00 H new ATOM 229 N ASP A 18 5.837 -14.478 -6.385 1.00 0.00 N ATOM 230 CA ASP A 18 6.235 -15.868 -6.537 1.00 0.00 C ATOM 231 C ASP A 18 5.005 -16.711 -6.877 1.00 0.00 C ATOM 232 O ASP A 18 5.119 -17.912 -7.118 1.00 0.00 O ATOM 233 CB ASP A 18 6.839 -16.413 -5.241 1.00 0.00 C ATOM 234 CG ASP A 18 7.875 -17.523 -5.428 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.440 -18.669 -5.676 1.00 0.00 O ATOM 236 OD2 ASP A 18 9.077 -17.202 -5.317 1.00 0.00 O ATOM 0 H ASP A 18 5.292 -14.280 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 18 6.979 -15.921 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.305 -15.589 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.033 -16.791 -4.613 1.00 0.00 H new ATOM 241 N GLY A 19 3.857 -16.050 -6.885 1.00 0.00 N ATOM 242 CA GLY A 19 2.607 -16.725 -7.191 1.00 0.00 C ATOM 243 C GLY A 19 1.718 -16.823 -5.950 1.00 0.00 C ATOM 244 O GLY A 19 0.493 -16.793 -6.055 1.00 0.00 O ATOM 0 H GLY A 19 3.766 -15.054 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.081 -16.184 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.814 -17.724 -7.574 1.00 0.00 H new ATOM 248 N LYS A 20 2.370 -16.938 -4.802 1.00 0.00 N ATOM 249 CA LYS A 20 1.654 -17.040 -3.542 1.00 0.00 C ATOM 250 C LYS A 20 0.620 -15.917 -3.455 1.00 0.00 C ATOM 251 O LYS A 20 0.650 -14.977 -4.248 1.00 0.00 O ATOM 252 CB LYS A 20 2.636 -17.064 -2.368 1.00 0.00 C ATOM 253 CG LYS A 20 2.720 -18.462 -1.752 1.00 0.00 C ATOM 254 CD LYS A 20 1.716 -18.618 -0.607 1.00 0.00 C ATOM 255 CE LYS A 20 2.414 -18.519 0.751 1.00 0.00 C ATOM 256 NZ LYS A 20 1.468 -18.045 1.786 1.00 0.00 N ATOM 0 H LYS A 20 3.386 -16.963 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 20 1.107 -17.982 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.624 -16.753 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.320 -16.347 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.524 -19.213 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.730 -18.640 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.949 -17.847 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.210 -19.580 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.813 -19.493 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.260 -17.835 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.957 -17.983 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.107 -17.106 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.674 -18.712 1.862 1.00 0.00 H new ATOM 270 N GLN A 21 -0.271 -16.050 -2.483 1.00 0.00 N ATOM 271 CA GLN A 21 -1.313 -15.057 -2.282 1.00 0.00 C ATOM 272 C GLN A 21 -1.428 -14.701 -0.799 1.00 0.00 C ATOM 273 O GLN A 21 -1.125 -15.522 0.066 1.00 0.00 O ATOM 274 CB GLN A 21 -2.653 -15.549 -2.834 1.00 0.00 C ATOM 275 CG GLN A 21 -2.545 -15.877 -4.324 1.00 0.00 C ATOM 276 CD GLN A 21 -3.854 -16.470 -4.851 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.008 -17.672 -4.993 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.784 -15.562 -5.133 1.00 0.00 N ATOM 0 H GLN A 21 -0.293 -16.830 -1.826 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.040 -14.156 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.973 -16.435 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.416 -14.786 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.300 -14.973 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.730 -16.583 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.589 -14.571 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.692 -15.857 -5.492 1.00 0.00 H new ATOM 287 N VAL A 22 -1.868 -13.477 -0.549 1.00 0.00 N ATOM 288 CA VAL A 22 -2.027 -13.002 0.815 1.00 0.00 C ATOM 289 C VAL A 22 -3.248 -12.084 0.892 1.00 0.00 C ATOM 290 O VAL A 22 -3.717 -11.582 -0.128 1.00 0.00 O ATOM 291 CB VAL A 22 -0.739 -12.325 1.287 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.761 -12.099 2.800 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.491 -13.135 0.872 1.00 0.00 C ATOM 0 H VAL A 22 -2.120 -12.799 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.206 -13.838 1.492 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.677 -11.350 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.166 -11.616 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.606 -11.462 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.859 -13.058 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.393 -12.631 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.438 -14.130 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.520 -13.222 -0.214 1.00 0.00 H new ATOM 303 N ASP A 23 -3.728 -11.891 2.112 1.00 0.00 N ATOM 304 CA ASP A 23 -4.886 -11.042 2.335 1.00 0.00 C ATOM 305 C ASP A 23 -4.420 -9.674 2.837 1.00 0.00 C ATOM 306 O ASP A 23 -3.605 -9.589 3.755 1.00 0.00 O ATOM 307 CB ASP A 23 -5.813 -11.642 3.393 1.00 0.00 C ATOM 308 CG ASP A 23 -5.148 -11.951 4.736 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.591 -13.064 4.851 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.212 -11.067 5.618 1.00 0.00 O ATOM 0 H ASP A 23 -3.336 -12.308 2.956 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.425 -10.952 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.639 -10.952 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.243 -12.562 2.998 1.00 0.00 H new ATOM 315 N ALA A 24 -4.956 -8.636 2.212 1.00 0.00 N ATOM 316 CA ALA A 24 -4.605 -7.276 2.583 1.00 0.00 C ATOM 317 C ALA A 24 -5.875 -6.423 2.639 1.00 0.00 C ATOM 318 O ALA A 24 -6.970 -6.916 2.372 1.00 0.00 O ATOM 319 CB ALA A 24 -3.577 -6.725 1.593 1.00 0.00 C ATOM 0 H ALA A 24 -5.631 -8.710 1.451 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.149 -7.254 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.314 -5.705 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.683 -7.348 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.001 -6.729 0.589 1.00 0.00 H new ATOM 325 N GLU A 25 -5.686 -5.159 2.988 1.00 0.00 N ATOM 326 CA GLU A 25 -6.802 -4.234 3.083 1.00 0.00 C ATOM 327 C GLU A 25 -6.428 -2.886 2.463 1.00 0.00 C ATOM 328 O GLU A 25 -5.335 -2.373 2.698 1.00 0.00 O ATOM 329 CB GLU A 25 -7.252 -4.064 4.535 1.00 0.00 C ATOM 330 CG GLU A 25 -8.018 -5.297 5.020 1.00 0.00 C ATOM 331 CD GLU A 25 -8.287 -5.219 6.524 1.00 0.00 C ATOM 332 OE1 GLU A 25 -7.368 -5.591 7.285 1.00 0.00 O ATOM 333 OE2 GLU A 25 -9.406 -4.789 6.879 1.00 0.00 O ATOM 0 H GLU A 25 -4.776 -4.754 3.208 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.641 -4.649 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.383 -3.898 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.885 -3.181 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.962 -5.378 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.445 -6.197 4.796 1.00 0.00 H new ATOM 340 N SER A 26 -7.357 -2.350 1.685 1.00 0.00 N ATOM 341 CA SER A 26 -7.138 -1.072 1.030 1.00 0.00 C ATOM 342 C SER A 26 -7.028 0.040 2.076 1.00 0.00 C ATOM 343 O SER A 26 -7.916 0.199 2.912 1.00 0.00 O ATOM 344 CB SER A 26 -8.263 -0.761 0.041 1.00 0.00 C ATOM 345 OG SER A 26 -9.551 -0.945 0.621 1.00 0.00 O ATOM 0 H SER A 26 -8.263 -2.778 1.494 1.00 0.00 H new ATOM 0 HA SER A 26 -6.204 -1.129 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.166 0.268 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.164 -1.404 -0.834 1.00 0.00 H new ATOM 0 HG SER A 26 -10.218 -0.449 0.102 1.00 0.00 H new ATOM 351 N TRP A 27 -5.932 0.779 1.994 1.00 0.00 N ATOM 352 CA TRP A 27 -5.695 1.871 2.923 1.00 0.00 C ATOM 353 C TRP A 27 -5.550 1.276 4.325 1.00 0.00 C ATOM 354 O TRP A 27 -5.961 1.889 5.309 1.00 0.00 O ATOM 355 CB TRP A 27 -6.804 2.920 2.830 1.00 0.00 C ATOM 356 CG TRP A 27 -7.305 3.173 1.407 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.400 2.676 0.817 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.679 4.011 0.412 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.526 3.130 -0.480 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.447 3.968 -0.734 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.505 4.780 0.478 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.124 4.672 -1.900 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.195 5.478 -0.696 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.957 5.445 -1.858 1.00 0.00 C ATOM 0 H TRP A 27 -5.198 0.643 1.299 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.775 2.398 2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.643 2.602 3.448 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.438 3.858 3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.097 2.004 1.296 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.274 2.894 -1.132 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.890 4.829 1.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.742 4.622 -2.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.301 6.084 -0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.651 6.013 -2.724 1.00 0.00 H new ATOM 375 N LYS A 28 -4.964 0.088 4.371 1.00 0.00 N ATOM 376 CA LYS A 28 -4.760 -0.596 5.637 1.00 0.00 C ATOM 377 C LYS A 28 -3.387 -1.272 5.630 1.00 0.00 C ATOM 378 O LYS A 28 -2.514 -0.918 6.421 1.00 0.00 O ATOM 379 CB LYS A 28 -5.917 -1.557 5.919 1.00 0.00 C ATOM 380 CG LYS A 28 -6.903 -0.950 6.919 1.00 0.00 C ATOM 381 CD LYS A 28 -7.562 -2.038 7.768 1.00 0.00 C ATOM 382 CE LYS A 28 -8.031 -1.476 9.112 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.359 -2.175 10.230 1.00 0.00 N ATOM 0 H LYS A 28 -4.624 -0.418 3.553 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.761 0.118 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.435 -1.791 4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.527 -2.496 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.382 -0.244 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.668 -0.387 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.411 -2.460 7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.856 -2.851 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.816 -0.409 9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.111 -1.588 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.689 -1.781 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.585 -3.189 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.330 -2.046 10.151 1.00 0.00 H new ATOM 397 N THR A 29 -3.239 -2.231 4.729 1.00 0.00 N ATOM 398 CA THR A 29 -1.988 -2.959 4.610 1.00 0.00 C ATOM 399 C THR A 29 -1.149 -2.393 3.463 1.00 0.00 C ATOM 400 O THR A 29 -1.692 -1.883 2.484 1.00 0.00 O ATOM 401 CB THR A 29 -2.318 -4.444 4.445 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.039 -4.773 5.629 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.073 -5.332 4.507 1.00 0.00 C ATOM 0 H THR A 29 -3.965 -2.521 4.074 1.00 0.00 H new ATOM 0 HA THR A 29 -1.378 -2.844 5.506 1.00 0.00 H new ATOM 0 HB THR A 29 -2.826 -4.599 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.294 -5.719 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.364 -6.375 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.385 -5.051 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.582 -5.203 5.471 1.00 0.00 H new ATOM 411 N THR A 30 0.162 -2.501 3.622 1.00 0.00 N ATOM 412 CA THR A 30 1.082 -2.005 2.611 1.00 0.00 C ATOM 413 C THR A 30 1.933 -3.150 2.058 1.00 0.00 C ATOM 414 O THR A 30 1.850 -4.279 2.538 1.00 0.00 O ATOM 415 CB THR A 30 1.910 -0.881 3.236 1.00 0.00 C ATOM 416 OG1 THR A 30 3.064 -1.541 3.748 1.00 0.00 O ATOM 417 CG2 THR A 30 1.242 -0.282 4.477 1.00 0.00 C ATOM 0 H THR A 30 0.609 -2.924 4.435 1.00 0.00 H new ATOM 0 HA THR A 30 0.546 -1.596 1.755 1.00 0.00 H new ATOM 0 HB THR A 30 2.073 -0.097 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.865 -1.026 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.871 0.511 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.270 0.129 4.204 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.109 -1.059 5.230 1.00 0.00 H new ATOM 425 N PRO A 31 2.753 -2.810 1.028 1.00 0.00 N ATOM 426 CA PRO A 31 3.618 -3.796 0.403 1.00 0.00 C ATOM 427 C PRO A 31 4.818 -4.118 1.297 1.00 0.00 C ATOM 428 O PRO A 31 5.377 -5.211 1.222 1.00 0.00 O ATOM 429 CB PRO A 31 4.018 -3.181 -0.928 1.00 0.00 C ATOM 430 CG PRO A 31 3.744 -1.692 -0.799 1.00 0.00 C ATOM 431 CD PRO A 31 2.878 -1.483 0.432 1.00 0.00 C ATOM 0 HA PRO A 31 3.122 -4.755 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.070 -3.367 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.443 -3.614 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.678 -1.138 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.238 -1.318 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.339 -0.779 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.903 -1.075 0.165 1.00 0.00 H new ATOM 439 N TYR A 32 5.178 -3.146 2.122 1.00 0.00 N ATOM 440 CA TYR A 32 6.300 -3.312 3.030 1.00 0.00 C ATOM 441 C TYR A 32 5.973 -4.326 4.127 1.00 0.00 C ATOM 442 O TYR A 32 6.834 -5.102 4.538 1.00 0.00 O ATOM 443 CB TYR A 32 6.531 -1.942 3.671 1.00 0.00 C ATOM 444 CG TYR A 32 7.934 -1.754 4.249 1.00 0.00 C ATOM 445 CD1 TYR A 32 9.043 -1.990 3.462 1.00 0.00 C ATOM 446 CD2 TYR A 32 8.092 -1.348 5.559 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.364 -1.813 4.007 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.413 -1.171 6.104 1.00 0.00 C ATOM 449 CZ TYR A 32 10.484 -1.412 5.301 1.00 0.00 C ATOM 450 OH TYR A 32 11.732 -1.245 5.815 1.00 0.00 O ATOM 0 H TYR A 32 4.712 -2.240 2.181 1.00 0.00 H new ATOM 0 HA TYR A 32 7.176 -3.676 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.350 -1.168 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.799 -1.796 4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.920 -2.308 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.225 -1.163 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.240 -1.995 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.550 -0.854 7.127 1.00 0.00 H new ATOM 0 HH TYR A 32 11.665 -0.955 6.749 1.00 0.00 H new ATOM 460 N GLN A 33 4.725 -4.287 4.572 1.00 0.00 N ATOM 461 CA GLN A 33 4.273 -5.193 5.614 1.00 0.00 C ATOM 462 C GLN A 33 4.153 -6.616 5.064 1.00 0.00 C ATOM 463 O GLN A 33 4.731 -7.550 5.619 1.00 0.00 O ATOM 464 CB GLN A 33 2.945 -4.723 6.212 1.00 0.00 C ATOM 465 CG GLN A 33 3.174 -3.648 7.276 1.00 0.00 C ATOM 466 CD GLN A 33 1.848 -3.032 7.727 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.835 -3.700 7.856 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.910 -1.724 7.957 1.00 0.00 N ATOM 0 H GLN A 33 4.013 -3.642 4.230 1.00 0.00 H new ATOM 0 HA GLN A 33 5.014 -5.194 6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.306 -4.328 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.420 -5.570 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.687 -4.083 8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.824 -2.869 6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.790 -1.225 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.077 -1.220 8.261 1.00 0.00 H new ATOM 477 N ILE A 34 3.400 -6.737 3.981 1.00 0.00 N ATOM 478 CA ILE A 34 3.197 -8.030 3.351 1.00 0.00 C ATOM 479 C ILE A 34 4.514 -8.809 3.358 1.00 0.00 C ATOM 480 O ILE A 34 4.625 -9.842 4.017 1.00 0.00 O ATOM 481 CB ILE A 34 2.593 -7.857 1.956 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.185 -7.265 2.037 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.616 -9.177 1.181 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.219 -8.017 1.119 1.00 0.00 C ATOM 0 H ILE A 34 2.923 -5.960 3.524 1.00 0.00 H new ATOM 0 HA ILE A 34 2.475 -8.619 3.916 1.00 0.00 H new ATOM 0 HB ILE A 34 3.209 -7.148 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.826 -7.312 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.213 -6.212 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.181 -9.026 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.645 -9.519 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.038 -9.926 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.775 -7.575 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.568 -7.948 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.175 -9.064 1.417 1.00 0.00 H new ATOM 663 N ILE A 48 11.840 -1.367 -4.290 1.00 0.00 N ATOM 664 CA ILE A 48 10.563 -0.782 -4.660 1.00 0.00 C ATOM 665 C ILE A 48 9.550 -1.900 -4.914 1.00 0.00 C ATOM 666 O ILE A 48 9.875 -2.906 -5.542 1.00 0.00 O ATOM 667 CB ILE A 48 10.732 0.174 -5.842 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.373 1.490 -5.395 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.401 0.400 -6.560 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.515 2.185 -4.335 1.00 0.00 C ATOM 0 HA ILE A 48 10.172 -0.175 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 48 11.410 -0.287 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.368 1.296 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.499 2.148 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.550 1.083 -7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.022 -0.552 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.681 0.830 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.993 3.118 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.529 2.399 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.411 1.534 -3.467 1.00 0.00 H new ATOM 682 N ALA A 49 8.342 -1.686 -4.413 1.00 0.00 N ATOM 683 CA ALA A 49 7.279 -2.663 -4.578 1.00 0.00 C ATOM 684 C ALA A 49 6.311 -2.179 -5.659 1.00 0.00 C ATOM 685 O ALA A 49 5.947 -1.005 -5.691 1.00 0.00 O ATOM 686 CB ALA A 49 6.585 -2.894 -3.234 1.00 0.00 C ATOM 0 H ALA A 49 8.076 -0.850 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 49 7.685 -3.621 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.788 -3.627 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.310 -3.265 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.163 -1.955 -2.876 1.00 0.00 H new ATOM 692 N LYS A 50 5.920 -3.110 -6.518 1.00 0.00 N ATOM 693 CA LYS A 50 5.001 -2.793 -7.598 1.00 0.00 C ATOM 694 C LYS A 50 3.587 -3.221 -7.200 1.00 0.00 C ATOM 695 O LYS A 50 3.394 -4.307 -6.655 1.00 0.00 O ATOM 696 CB LYS A 50 5.485 -3.410 -8.911 1.00 0.00 C ATOM 697 CG LYS A 50 6.543 -2.527 -9.575 1.00 0.00 C ATOM 698 CD LYS A 50 6.885 -3.040 -10.976 1.00 0.00 C ATOM 699 CE LYS A 50 7.519 -1.936 -11.824 1.00 0.00 C ATOM 700 NZ LYS A 50 8.887 -2.322 -12.238 1.00 0.00 N ATOM 0 H LYS A 50 6.223 -4.083 -6.488 1.00 0.00 H new ATOM 0 HA LYS A 50 4.971 -1.717 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.900 -4.400 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.641 -3.543 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.179 -1.502 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.443 -2.508 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.570 -3.885 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.981 -3.405 -11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.905 -1.748 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.553 -1.007 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.555 -1.569 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.157 -3.206 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.911 -2.462 -13.268 1.00 0.00 H new ATOM 714 N VAL A 51 2.635 -2.346 -7.489 1.00 0.00 N ATOM 715 CA VAL A 51 1.245 -2.621 -7.168 1.00 0.00 C ATOM 716 C VAL A 51 0.404 -2.529 -8.443 1.00 0.00 C ATOM 717 O VAL A 51 0.034 -1.437 -8.870 1.00 0.00 O ATOM 718 CB VAL A 51 0.765 -1.674 -6.067 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.757 -1.733 -5.917 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.459 -1.981 -4.738 1.00 0.00 C ATOM 0 H VAL A 51 2.799 -1.447 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 51 1.136 -3.633 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 51 1.034 -0.659 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.072 -1.050 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.227 -1.442 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.058 -2.748 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.100 -1.293 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.236 -3.005 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.536 -1.863 -4.854 1.00 0.00 H new ATOM 730 N ASN A 52 0.127 -3.692 -9.016 1.00 0.00 N ATOM 731 CA ASN A 52 -0.663 -3.756 -10.234 1.00 0.00 C ATOM 732 C ASN A 52 0.239 -3.474 -11.437 1.00 0.00 C ATOM 733 O ASN A 52 -0.235 -3.030 -12.482 1.00 0.00 O ATOM 734 CB ASN A 52 -1.778 -2.709 -10.223 1.00 0.00 C ATOM 735 CG ASN A 52 -2.999 -3.201 -11.003 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.114 -3.022 -12.205 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.903 -3.828 -10.256 1.00 0.00 N ATOM 0 H ASN A 52 0.435 -4.596 -8.659 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.104 -4.751 -10.298 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.064 -2.488 -9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.413 -1.779 -10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.754 -4.193 -10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.745 -3.944 -9.255 1.00 0.00 H new ATOM 744 N ASN A 53 1.522 -3.745 -11.250 1.00 0.00 N ATOM 745 CA ASN A 53 2.495 -3.526 -12.308 1.00 0.00 C ATOM 746 C ASN A 53 2.894 -2.049 -12.329 1.00 0.00 C ATOM 747 O ASN A 53 3.409 -1.556 -13.332 1.00 0.00 O ATOM 748 CB ASN A 53 1.908 -3.877 -13.677 1.00 0.00 C ATOM 749 CG ASN A 53 2.929 -4.630 -14.533 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.036 -4.921 -14.113 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.495 -4.927 -15.755 1.00 0.00 N ATOM 0 H ASN A 53 1.911 -4.114 -10.382 1.00 0.00 H new ATOM 0 HA ASN A 53 3.357 -4.163 -12.111 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.015 -4.488 -13.548 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.600 -2.966 -14.189 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.102 -5.428 -16.404 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.556 -4.653 -16.043 1.00 0.00 H new ATOM 758 N VAL A 54 2.641 -1.384 -11.212 1.00 0.00 N ATOM 759 CA VAL A 54 2.968 0.027 -11.090 1.00 0.00 C ATOM 760 C VAL A 54 3.728 0.259 -9.782 1.00 0.00 C ATOM 761 O VAL A 54 3.332 -0.245 -8.732 1.00 0.00 O ATOM 762 CB VAL A 54 1.696 0.870 -11.200 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.593 0.105 -11.935 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.219 1.326 -9.819 1.00 0.00 C ATOM 0 H VAL A 54 2.213 -1.796 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 54 3.621 0.340 -11.905 1.00 0.00 H new ATOM 0 HB VAL A 54 1.933 1.760 -11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.300 0.727 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.933 -0.147 -12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.360 -0.810 -11.390 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.314 1.923 -9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.007 0.454 -9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.996 1.926 -9.346 1.00 0.00 H new ATOM 774 N VAL A 55 4.806 1.021 -9.889 1.00 0.00 N ATOM 775 CA VAL A 55 5.625 1.326 -8.728 1.00 0.00 C ATOM 776 C VAL A 55 4.720 1.736 -7.565 1.00 0.00 C ATOM 777 O VAL A 55 3.763 2.485 -7.752 1.00 0.00 O ATOM 778 CB VAL A 55 6.661 2.394 -9.085 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.283 2.997 -7.824 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.739 1.825 -10.010 1.00 0.00 C ATOM 0 H VAL A 55 5.132 1.436 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 55 6.182 0.445 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 55 6.148 3.193 -9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.016 3.753 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.503 3.456 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.774 2.212 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.463 2.605 -10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.247 0.999 -9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.277 1.466 -10.929 1.00 0.00 H new ATOM 790 N TRP A 56 5.055 1.226 -6.388 1.00 0.00 N ATOM 791 CA TRP A 56 4.285 1.530 -5.194 1.00 0.00 C ATOM 792 C TRP A 56 5.260 1.659 -4.023 1.00 0.00 C ATOM 793 O TRP A 56 6.084 0.773 -3.796 1.00 0.00 O ATOM 794 CB TRP A 56 3.202 0.476 -4.958 1.00 0.00 C ATOM 795 CG TRP A 56 1.929 1.026 -4.311 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.647 1.133 -3.005 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.770 1.542 -4.998 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.396 1.679 -2.801 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.154 1.936 -4.051 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.510 1.673 -6.374 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.400 2.486 -4.378 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.739 2.225 -6.683 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.680 2.625 -5.743 1.00 0.00 C ATOM 0 H TRP A 56 5.849 0.604 -6.236 1.00 0.00 H new ATOM 0 HA TRP A 56 3.752 2.474 -5.308 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.943 0.016 -5.912 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.608 -0.312 -4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.315 0.830 -2.212 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.044 1.860 -1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.218 1.372 -7.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.107 2.787 -3.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.989 2.349 -7.726 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.624 3.041 -6.063 1.00 0.00 H new ATOM 814 N ASP A 57 5.135 2.768 -3.309 1.00 0.00 N ATOM 815 CA ASP A 57 5.996 3.024 -2.166 1.00 0.00 C ATOM 816 C ASP A 57 5.715 1.983 -1.080 1.00 0.00 C ATOM 817 O ASP A 57 4.584 1.525 -0.931 1.00 0.00 O ATOM 818 CB ASP A 57 5.728 4.409 -1.575 1.00 0.00 C ATOM 819 CG ASP A 57 6.188 5.582 -2.442 1.00 0.00 C ATOM 820 OD1 ASP A 57 7.419 5.786 -2.514 1.00 0.00 O ATOM 821 OD2 ASP A 57 5.299 6.249 -3.013 1.00 0.00 O ATOM 0 H ASP A 57 4.451 3.500 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 57 7.031 2.970 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.658 4.509 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.224 4.476 -0.607 1.00 0.00 H new ATOM 826 N LEU A 58 6.766 1.641 -0.348 1.00 0.00 N ATOM 827 CA LEU A 58 6.647 0.663 0.720 1.00 0.00 C ATOM 828 C LEU A 58 5.860 1.275 1.880 1.00 0.00 C ATOM 829 O LEU A 58 5.081 0.587 2.538 1.00 0.00 O ATOM 830 CB LEU A 58 8.027 0.139 1.122 1.00 0.00 C ATOM 831 CG LEU A 58 8.961 -0.242 -0.028 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.424 -0.207 0.419 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.575 -1.598 -0.622 1.00 0.00 C ATOM 0 H LEU A 58 7.703 2.024 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 58 6.087 -0.208 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.520 0.899 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.890 -0.736 1.758 1.00 0.00 H new ATOM 0 HG LEU A 58 8.849 0.499 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.067 -0.482 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.677 0.798 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.572 -0.912 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.255 -1.845 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.640 -2.365 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.554 -1.552 -1.002 1.00 0.00 H new ATOM 845 N ASP A 59 6.090 2.562 2.096 1.00 0.00 N ATOM 846 CA ASP A 59 5.411 3.275 3.165 1.00 0.00 C ATOM 847 C ASP A 59 4.070 3.801 2.651 1.00 0.00 C ATOM 848 O ASP A 59 3.735 4.966 2.861 1.00 0.00 O ATOM 849 CB ASP A 59 6.238 4.471 3.641 1.00 0.00 C ATOM 850 CG ASP A 59 6.158 4.756 5.142 1.00 0.00 C ATOM 851 OD1 ASP A 59 6.545 3.852 5.913 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.713 5.873 5.484 1.00 0.00 O ATOM 0 H ASP A 59 6.737 3.130 1.549 1.00 0.00 H new ATOM 0 HA ASP A 59 5.268 2.582 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.281 4.302 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.910 5.359 3.100 1.00 0.00 H new ATOM 857 N ARG A 60 3.339 2.918 1.987 1.00 0.00 N ATOM 858 CA ARG A 60 2.042 3.280 1.441 1.00 0.00 C ATOM 859 C ARG A 60 1.166 2.035 1.287 1.00 0.00 C ATOM 860 O ARG A 60 1.596 1.035 0.714 1.00 0.00 O ATOM 861 CB ARG A 60 2.189 3.963 0.080 1.00 0.00 C ATOM 862 CG ARG A 60 0.827 4.404 -0.462 1.00 0.00 C ATOM 863 CD ARG A 60 0.973 5.084 -1.825 1.00 0.00 C ATOM 864 NE ARG A 60 0.090 6.269 -1.896 1.00 0.00 N ATOM 865 CZ ARG A 60 0.288 7.305 -2.723 1.00 0.00 C ATOM 866 NH1 ARG A 60 1.339 7.308 -3.554 1.00 0.00 N ATOM 867 NH2 ARG A 60 -0.565 8.338 -2.719 1.00 0.00 N ATOM 0 H ARG A 60 3.620 1.953 1.815 1.00 0.00 H new ATOM 0 HA ARG A 60 1.572 3.976 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.845 4.828 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.661 3.279 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.170 3.539 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.356 5.090 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.009 5.382 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.719 4.383 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.720 6.299 -1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.989 6.522 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.489 8.097 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.365 8.336 -2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.414 9.126 -3.348 1.00 0.00 H new ATOM 881 N PRO A 61 -0.080 2.140 1.822 1.00 0.00 N ATOM 882 CA PRO A 61 -1.021 1.035 1.749 1.00 0.00 C ATOM 883 C PRO A 61 -1.600 0.899 0.340 1.00 0.00 C ATOM 884 O PRO A 61 -1.753 1.892 -0.371 1.00 0.00 O ATOM 885 CB PRO A 61 -2.077 1.348 2.797 1.00 0.00 C ATOM 886 CG PRO A 61 -1.944 2.834 3.092 1.00 0.00 C ATOM 887 CD PRO A 61 -0.624 3.309 2.507 1.00 0.00 C ATOM 0 HA PRO A 61 -0.553 0.071 1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.075 1.111 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.921 0.755 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.776 3.386 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.972 3.014 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.773 4.139 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.051 3.661 3.287 1.00 0.00 H new ATOM 895 N LEU A 62 -1.907 -0.337 -0.023 1.00 0.00 N ATOM 896 CA LEU A 62 -2.466 -0.616 -1.335 1.00 0.00 C ATOM 897 C LEU A 62 -3.795 0.127 -1.486 1.00 0.00 C ATOM 898 O LEU A 62 -4.244 0.800 -0.559 1.00 0.00 O ATOM 899 CB LEU A 62 -2.576 -2.125 -1.561 1.00 0.00 C ATOM 900 CG LEU A 62 -1.332 -2.947 -1.217 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.055 -2.176 -1.553 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.361 -3.400 0.244 1.00 0.00 C ATOM 0 H LEU A 62 -1.779 -1.158 0.569 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.803 -0.248 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.411 -2.501 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.824 -2.298 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.336 -3.846 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.814 -2.783 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.038 -1.947 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.029 -1.248 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.466 -3.982 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.394 -2.527 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.244 -4.015 0.417 1.00 0.00 H new ATOM 914 N GLU A 63 -4.388 -0.020 -2.662 1.00 0.00 N ATOM 915 CA GLU A 63 -5.656 0.629 -2.947 1.00 0.00 C ATOM 916 C GLU A 63 -6.771 -0.413 -3.064 1.00 0.00 C ATOM 917 O GLU A 63 -7.909 -0.156 -2.675 1.00 0.00 O ATOM 918 CB GLU A 63 -5.564 1.479 -4.216 1.00 0.00 C ATOM 919 CG GLU A 63 -5.173 2.920 -3.883 1.00 0.00 C ATOM 920 CD GLU A 63 -5.656 3.884 -4.969 1.00 0.00 C ATOM 921 OE1 GLU A 63 -4.997 3.918 -6.031 1.00 0.00 O ATOM 922 OE2 GLU A 63 -6.672 4.565 -4.713 1.00 0.00 O ATOM 0 H GLU A 63 -4.013 -0.579 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.895 1.297 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.829 1.047 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.522 1.469 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.602 3.204 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.090 2.993 -3.782 1.00 0.00 H new ATOM 929 N GLU A 64 -6.404 -1.567 -3.603 1.00 0.00 N ATOM 930 CA GLU A 64 -7.359 -2.648 -3.776 1.00 0.00 C ATOM 931 C GLU A 64 -6.667 -3.877 -4.369 1.00 0.00 C ATOM 932 O GLU A 64 -5.461 -3.858 -4.612 1.00 0.00 O ATOM 933 CB GLU A 64 -8.535 -2.207 -4.649 1.00 0.00 C ATOM 934 CG GLU A 64 -8.069 -1.871 -6.067 1.00 0.00 C ATOM 935 CD GLU A 64 -8.720 -0.579 -6.567 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.899 -0.363 -6.212 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.023 0.164 -7.291 1.00 0.00 O ATOM 0 H GLU A 64 -5.459 -1.776 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.757 -2.915 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.282 -3.000 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.016 -1.336 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.984 -1.765 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.318 -2.692 -6.740 1.00 0.00 H new ATOM 944 N ASP A 65 -7.459 -4.916 -4.586 1.00 0.00 N ATOM 945 CA ASP A 65 -6.938 -6.151 -5.146 1.00 0.00 C ATOM 946 C ASP A 65 -5.938 -5.821 -6.255 1.00 0.00 C ATOM 947 O ASP A 65 -6.316 -5.294 -7.300 1.00 0.00 O ATOM 948 CB ASP A 65 -8.059 -6.996 -5.756 1.00 0.00 C ATOM 949 CG ASP A 65 -9.127 -6.204 -6.511 1.00 0.00 C ATOM 950 OD1 ASP A 65 -8.859 -5.864 -7.684 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.189 -5.956 -5.899 1.00 0.00 O ATOM 0 H ASP A 65 -8.459 -4.928 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.462 -6.711 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.616 -7.722 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.543 -7.561 -4.959 1.00 0.00 H new ATOM 956 N CYS A 66 -4.680 -6.144 -5.990 1.00 0.00 N ATOM 957 CA CYS A 66 -3.623 -5.888 -6.954 1.00 0.00 C ATOM 958 C CYS A 66 -2.513 -6.918 -6.734 1.00 0.00 C ATOM 959 O CYS A 66 -2.612 -7.761 -5.844 1.00 0.00 O ATOM 960 CB CYS A 66 -3.099 -4.454 -6.851 1.00 0.00 C ATOM 961 SG CYS A 66 -2.528 -4.117 -5.145 1.00 0.00 S ATOM 0 H CYS A 66 -4.369 -6.580 -5.122 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.017 -5.990 -7.965 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.279 -4.306 -7.554 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.885 -3.750 -7.126 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.557 -3.984 -4.361 1.00 0.00 H new ATOM 967 N THR A 67 -1.483 -6.816 -7.560 1.00 0.00 N ATOM 968 CA THR A 67 -0.356 -7.728 -7.468 1.00 0.00 C ATOM 969 C THR A 67 0.833 -7.040 -6.794 1.00 0.00 C ATOM 970 O THR A 67 1.051 -5.844 -6.982 1.00 0.00 O ATOM 971 CB THR A 67 -0.044 -8.240 -8.875 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.185 -7.088 -9.702 1.00 0.00 O ATOM 973 CG2 THR A 67 -1.111 -9.205 -9.397 1.00 0.00 C ATOM 0 H THR A 67 -1.405 -6.115 -8.297 1.00 0.00 H new ATOM 0 HA THR A 67 -0.593 -8.587 -6.840 1.00 0.00 H new ATOM 0 HB THR A 67 0.926 -8.737 -8.874 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.002 -7.329 -10.633 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.841 -9.538 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.178 -10.067 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.075 -8.698 -9.431 1.00 0.00 H new ATOM 981 N LEU A 68 1.572 -7.826 -6.024 1.00 0.00 N ATOM 982 CA LEU A 68 2.733 -7.307 -5.322 1.00 0.00 C ATOM 983 C LEU A 68 4.003 -7.894 -5.942 1.00 0.00 C ATOM 984 O LEU A 68 4.064 -9.089 -6.226 1.00 0.00 O ATOM 985 CB LEU A 68 2.609 -7.562 -3.819 1.00 0.00 C ATOM 986 CG LEU A 68 3.796 -7.116 -2.962 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.041 -5.613 -3.105 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.603 -7.530 -1.501 1.00 0.00 C ATOM 0 H LEU A 68 1.389 -8.818 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 68 2.793 -6.224 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.715 -7.055 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.455 -8.630 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 68 4.690 -7.623 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.890 -5.322 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.254 -5.377 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.154 -5.068 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.460 -7.201 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.696 -7.069 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.515 -8.615 -1.439 1.00 0.00 H new ATOM 1000 N GLU A 69 4.985 -7.026 -6.134 1.00 0.00 N ATOM 1001 CA GLU A 69 6.250 -7.443 -6.716 1.00 0.00 C ATOM 1002 C GLU A 69 7.391 -6.571 -6.187 1.00 0.00 C ATOM 1003 O GLU A 69 7.416 -5.365 -6.425 1.00 0.00 O ATOM 1004 CB GLU A 69 6.191 -7.401 -8.244 1.00 0.00 C ATOM 1005 CG GLU A 69 7.520 -7.848 -8.856 1.00 0.00 C ATOM 1006 CD GLU A 69 7.428 -7.908 -10.382 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.625 -6.842 -11.005 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.163 -9.018 -10.892 1.00 0.00 O ATOM 0 H GLU A 69 4.931 -6.035 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 69 6.441 -8.475 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.388 -8.047 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.956 -6.389 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.310 -7.157 -8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.793 -8.828 -8.466 1.00 0.00 H new ATOM 1015 N LEU A 70 8.306 -7.216 -5.479 1.00 0.00 N ATOM 1016 CA LEU A 70 9.447 -6.515 -4.915 1.00 0.00 C ATOM 1017 C LEU A 70 10.562 -6.441 -5.959 1.00 0.00 C ATOM 1018 O LEU A 70 10.936 -7.455 -6.547 1.00 0.00 O ATOM 1019 CB LEU A 70 9.878 -7.165 -3.599 1.00 0.00 C ATOM 1020 CG LEU A 70 8.813 -7.232 -2.503 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.768 -6.130 -2.685 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.175 -8.622 -2.444 1.00 0.00 C ATOM 0 H LEU A 70 8.281 -8.217 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 70 9.178 -5.489 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.216 -8.179 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.737 -6.617 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 70 9.299 -7.059 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.023 -6.201 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.255 -5.156 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.281 -6.247 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.421 -8.643 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.706 -8.848 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.943 -9.366 -2.231 1.00 0.00 H new ATOM 1034 N LEU A 71 11.064 -5.230 -6.158 1.00 0.00 N ATOM 1035 CA LEU A 71 12.129 -5.011 -7.121 1.00 0.00 C ATOM 1036 C LEU A 71 13.482 -5.208 -6.433 1.00 0.00 C ATOM 1037 O LEU A 71 13.597 -5.029 -5.222 1.00 0.00 O ATOM 1038 CB LEU A 71 11.973 -3.644 -7.791 1.00 0.00 C ATOM 1039 CG LEU A 71 10.983 -3.577 -8.956 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.831 -4.563 -8.753 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.484 -2.147 -9.169 1.00 0.00 C ATOM 0 H LEU A 71 10.752 -4.391 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 71 12.071 -5.743 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.662 -2.924 -7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.951 -3.325 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 71 11.504 -3.874 -9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.142 -4.495 -9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.227 -5.577 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.303 -4.320 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.782 -2.127 -10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.985 -1.798 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.329 -1.496 -9.391 1.00 0.00 H new