USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 501 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 83 ASN : amide:sc= -3.56! C(o=-3.6!,f=-4.8!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0192 X(o=-3.6,f=-3.5) USER MOD Set 2.1: A 70 GLN : amide:sc= -0.0573 K(o=1.2,f=0.22) USER MOD Set 2.2: A 74 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 53 GLN : amide:sc=-0.00708 X(o=-0.0071,f=-0.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= -0.307 (180deg=-1.14!) USER MOD Single : A 82 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.057) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.713 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -4.386 -12.420 -1.242 1.00 0.00 N ATOM 118 CA ILE A 46 -3.685 -11.139 -1.305 1.00 0.00 C ATOM 119 C ILE A 46 -2.478 -11.122 -0.364 1.00 0.00 C ATOM 120 O ILE A 46 -1.516 -10.387 -0.595 1.00 0.00 O ATOM 121 CB ILE A 46 -4.616 -9.952 -0.960 1.00 0.00 C ATOM 122 CG1 ILE A 46 -5.216 -10.111 0.441 1.00 0.00 C ATOM 123 CG2 ILE A 46 -5.717 -9.820 -2.003 1.00 0.00 C ATOM 124 CD1 ILE A 46 -5.583 -8.794 1.092 1.00 0.00 C ATOM 0 HA ILE A 46 -3.343 -11.024 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.019 -9.040 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.106 -10.737 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.502 -10.635 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.363 -8.981 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.271 -9.648 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.306 -10.737 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.002 -8.981 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.691 -8.174 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.320 -8.277 0.478 1.00 0.00 H new ATOM 136 N ALA A 47 -2.526 -11.944 0.687 1.00 0.00 N ATOM 137 CA ALA A 47 -1.429 -12.025 1.648 1.00 0.00 C ATOM 138 C ALA A 47 -0.160 -12.566 0.990 1.00 0.00 C ATOM 139 O ALA A 47 0.949 -12.156 1.335 1.00 0.00 O ATOM 140 CB ALA A 47 -1.826 -12.893 2.834 1.00 0.00 C ATOM 0 H ALA A 47 -3.312 -12.561 0.892 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.218 -11.018 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.998 -12.944 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.697 -12.461 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.067 -13.897 2.485 1.00 0.00 H new ATOM 146 N ASN A 48 -0.330 -13.482 0.033 1.00 0.00 N ATOM 147 CA ASN A 48 0.803 -14.071 -0.681 1.00 0.00 C ATOM 148 C ASN A 48 1.282 -13.146 -1.798 1.00 0.00 C ATOM 149 O ASN A 48 2.458 -13.156 -2.161 1.00 0.00 O ATOM 150 CB ASN A 48 0.424 -15.437 -1.261 1.00 0.00 C ATOM 151 CG ASN A 48 -0.123 -16.388 -0.211 1.00 0.00 C ATOM 152 OD1 ASN A 48 0.360 -16.427 0.920 1.00 0.00 O ATOM 153 ND2 ASN A 48 -1.135 -17.166 -0.582 1.00 0.00 N ATOM 0 H ASN A 48 -1.241 -13.831 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 48 1.616 -14.205 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.321 -15.300 -2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.301 -15.884 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.540 -17.827 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.506 -17.102 -1.530 1.00 0.00 H new ATOM 160 N PHE A 49 0.361 -12.344 -2.337 1.00 0.00 N ATOM 161 CA PHE A 49 0.686 -11.404 -3.406 1.00 0.00 C ATOM 162 C PHE A 49 1.734 -10.384 -2.947 1.00 0.00 C ATOM 163 O PHE A 49 2.527 -9.897 -3.752 1.00 0.00 O ATOM 164 CB PHE A 49 -0.581 -10.681 -3.872 1.00 0.00 C ATOM 165 CG PHE A 49 -0.944 -10.958 -5.305 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.070 -12.261 -5.765 1.00 0.00 C ATOM 167 CD2 PHE A 49 -1.160 -9.916 -6.192 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.404 -12.516 -7.081 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.494 -10.166 -7.509 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.616 -11.467 -7.954 1.00 0.00 C ATOM 0 H PHE A 49 -0.617 -12.329 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 49 1.105 -11.969 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.413 -10.976 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.444 -9.607 -3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.905 -13.085 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.066 -8.896 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.499 -13.535 -7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.660 -9.344 -8.190 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.877 -11.664 -8.983 1.00 0.00 H new ATOM 180 N LEU A 50 1.735 -10.072 -1.648 1.00 0.00 N ATOM 181 CA LEU A 50 2.689 -9.119 -1.082 1.00 0.00 C ATOM 182 C LEU A 50 4.097 -9.723 -1.033 1.00 0.00 C ATOM 183 O LEU A 50 4.300 -10.875 -1.421 1.00 0.00 O ATOM 184 CB LEU A 50 2.246 -8.704 0.329 1.00 0.00 C ATOM 185 CG LEU A 50 1.414 -7.418 0.408 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.172 -7.523 -0.466 1.00 0.00 C ATOM 187 CD2 LEU A 50 1.026 -7.124 1.850 1.00 0.00 C ATOM 0 H LEU A 50 1.084 -10.467 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 50 2.714 -8.237 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.666 -9.518 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.134 -8.580 0.948 1.00 0.00 H new ATOM 0 HG LEU A 50 2.023 -6.594 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.403 -6.600 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.469 -7.686 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.441 -8.359 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.436 -6.208 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.437 -7.952 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.927 -7.001 2.451 1.00 0.00 H new ATOM 199 N GLU A 51 5.066 -8.940 -0.554 1.00 0.00 N ATOM 200 CA GLU A 51 6.449 -9.406 -0.458 1.00 0.00 C ATOM 201 C GLU A 51 7.030 -9.133 0.928 1.00 0.00 C ATOM 202 O GLU A 51 6.585 -8.218 1.623 1.00 0.00 O ATOM 203 CB GLU A 51 7.320 -8.730 -1.524 1.00 0.00 C ATOM 204 CG GLU A 51 6.794 -8.892 -2.945 1.00 0.00 C ATOM 205 CD GLU A 51 7.072 -10.267 -3.533 1.00 0.00 C ATOM 206 OE1 GLU A 51 7.118 -11.251 -2.765 1.00 0.00 O ATOM 207 OE2 GLU A 51 7.241 -10.359 -4.766 1.00 0.00 O ATOM 0 H GLU A 51 4.919 -7.985 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 51 6.446 -10.483 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.398 -7.667 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.328 -9.142 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.719 -8.712 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.247 -8.133 -3.582 1.00 0.00 H new ATOM 214 N PRO A 52 8.040 -9.925 1.348 1.00 0.00 N ATOM 215 CA PRO A 52 8.689 -9.761 2.657 1.00 0.00 C ATOM 216 C PRO A 52 9.190 -8.336 2.884 1.00 0.00 C ATOM 217 O PRO A 52 8.984 -7.761 3.954 1.00 0.00 O ATOM 218 CB PRO A 52 9.866 -10.741 2.603 1.00 0.00 C ATOM 219 CG PRO A 52 9.466 -11.762 1.595 1.00 0.00 C ATOM 220 CD PRO A 52 8.632 -11.035 0.576 1.00 0.00 C ATOM 0 HA PRO A 52 7.998 -9.953 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.787 -10.237 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.047 -11.196 3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.342 -12.216 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.899 -12.568 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.238 -10.670 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.865 -11.681 0.149 1.00 0.00 H new ATOM 228 N GLN A 53 9.843 -7.768 1.869 1.00 0.00 N ATOM 229 CA GLN A 53 10.366 -6.407 1.959 1.00 0.00 C ATOM 230 C GLN A 53 9.228 -5.388 1.976 1.00 0.00 C ATOM 231 O GLN A 53 9.216 -4.475 2.802 1.00 0.00 O ATOM 232 CB GLN A 53 11.312 -6.117 0.791 1.00 0.00 C ATOM 233 CG GLN A 53 12.633 -6.865 0.879 1.00 0.00 C ATOM 234 CD GLN A 53 13.705 -6.269 -0.014 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.933 -5.059 -0.008 1.00 0.00 O ATOM 236 NE2 GLN A 53 14.372 -7.118 -0.788 1.00 0.00 N ATOM 0 H GLN A 53 10.021 -8.230 0.977 1.00 0.00 H new ATOM 0 HA GLN A 53 10.922 -6.321 2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.815 -6.382 -0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.512 -5.046 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.981 -6.858 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.474 -7.907 0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.151 -8.113 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.105 -6.774 -1.408 1.00 0.00 H new ATOM 245 N ALA A 54 8.268 -5.558 1.065 1.00 0.00 N ATOM 246 CA ALA A 54 7.118 -4.658 0.981 1.00 0.00 C ATOM 247 C ALA A 54 6.308 -4.680 2.277 1.00 0.00 C ATOM 248 O ALA A 54 5.765 -3.657 2.696 1.00 0.00 O ATOM 249 CB ALA A 54 6.238 -5.034 -0.202 1.00 0.00 C ATOM 0 H ALA A 54 8.265 -6.310 0.376 1.00 0.00 H new ATOM 0 HA ALA A 54 7.490 -3.644 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.386 -4.356 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.816 -4.960 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.881 -6.056 -0.079 1.00 0.00 H new ATOM 255 N LEU A 55 6.238 -5.854 2.909 1.00 0.00 N ATOM 256 CA LEU A 55 5.503 -6.016 4.162 1.00 0.00 C ATOM 257 C LEU A 55 6.096 -5.131 5.258 1.00 0.00 C ATOM 258 O LEU A 55 5.362 -4.540 6.052 1.00 0.00 O ATOM 259 CB LEU A 55 5.524 -7.484 4.607 1.00 0.00 C ATOM 260 CG LEU A 55 4.202 -8.013 5.171 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.363 -8.649 4.070 1.00 0.00 C ATOM 262 CD2 LEU A 55 4.463 -9.012 6.290 1.00 0.00 C ATOM 0 H LEU A 55 6.683 -6.707 2.571 1.00 0.00 H new ATOM 0 HA LEU A 55 4.471 -5.711 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.810 -8.101 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.299 -7.607 5.364 1.00 0.00 H new ATOM 0 HG LEU A 55 3.643 -7.172 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.428 -9.018 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.146 -7.906 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.913 -9.479 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.513 -9.378 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.043 -9.849 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.020 -8.525 7.090 1.00 0.00 H new ATOM 274 N GLU A 56 7.427 -5.042 5.294 1.00 0.00 N ATOM 275 CA GLU A 56 8.119 -4.226 6.291 1.00 0.00 C ATOM 276 C GLU A 56 7.738 -2.752 6.157 1.00 0.00 C ATOM 277 O GLU A 56 7.413 -2.097 7.149 1.00 0.00 O ATOM 278 CB GLU A 56 9.636 -4.391 6.157 1.00 0.00 C ATOM 279 CG GLU A 56 10.363 -4.413 7.494 1.00 0.00 C ATOM 280 CD GLU A 56 11.858 -4.184 7.360 1.00 0.00 C ATOM 281 OE1 GLU A 56 12.254 -3.185 6.721 1.00 0.00 O ATOM 282 OE2 GLU A 56 12.632 -5.003 7.897 1.00 0.00 O ATOM 0 H GLU A 56 8.046 -5.525 4.644 1.00 0.00 H new ATOM 0 HA GLU A 56 7.810 -4.570 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.847 -5.317 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.030 -3.575 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.940 -3.647 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.190 -5.373 7.980 1.00 0.00 H new ATOM 289 N ARG A 57 7.774 -2.236 4.925 1.00 0.00 N ATOM 290 CA ARG A 57 7.427 -0.842 4.666 1.00 0.00 C ATOM 291 C ARG A 57 5.999 -0.543 5.114 1.00 0.00 C ATOM 292 O ARG A 57 5.748 0.460 5.782 1.00 0.00 O ATOM 293 CB ARG A 57 7.583 -0.520 3.177 1.00 0.00 C ATOM 294 CG ARG A 57 7.585 0.969 2.871 1.00 0.00 C ATOM 295 CD ARG A 57 8.804 1.654 3.464 1.00 0.00 C ATOM 296 NE ARG A 57 9.975 1.544 2.593 1.00 0.00 N ATOM 297 CZ ARG A 57 11.050 2.333 2.679 1.00 0.00 C ATOM 298 NH1 ARG A 57 11.119 3.285 3.606 1.00 0.00 N ATOM 299 NH2 ARG A 57 12.064 2.166 1.836 1.00 0.00 N ATOM 0 H ARG A 57 8.040 -2.765 4.094 1.00 0.00 H new ATOM 0 HA ARG A 57 8.109 -0.214 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.513 -0.958 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.772 -0.994 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.570 1.120 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.679 1.425 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.579 2.706 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.031 1.212 4.434 1.00 0.00 H new ATOM 0 HE ARG A 57 9.970 0.819 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.347 3.418 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.944 3.882 3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.021 1.436 1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.885 2.768 1.900 1.00 0.00 H new ATOM 313 N LEU A 58 5.068 -1.425 4.746 1.00 0.00 N ATOM 314 CA LEU A 58 3.665 -1.259 5.114 1.00 0.00 C ATOM 315 C LEU A 58 3.480 -1.348 6.629 1.00 0.00 C ATOM 316 O LEU A 58 2.680 -0.612 7.205 1.00 0.00 O ATOM 317 CB LEU A 58 2.797 -2.312 4.416 1.00 0.00 C ATOM 318 CG LEU A 58 1.309 -1.961 4.311 1.00 0.00 C ATOM 319 CD1 LEU A 58 1.105 -0.764 3.394 1.00 0.00 C ATOM 320 CD2 LEU A 58 0.510 -3.159 3.817 1.00 0.00 C ATOM 0 H LEU A 58 5.262 -2.260 4.194 1.00 0.00 H new ATOM 0 HA LEU A 58 3.349 -0.268 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.188 -2.475 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.895 -3.255 4.953 1.00 0.00 H new ATOM 0 HG LEU A 58 0.948 -1.696 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.042 -0.530 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.643 0.096 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.483 -0.999 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.544 -2.890 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.873 -3.458 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.629 -3.988 4.514 1.00 0.00 H new ATOM 332 N SER A 59 4.228 -2.249 7.270 1.00 0.00 N ATOM 333 CA SER A 59 4.149 -2.423 8.719 1.00 0.00 C ATOM 334 C SER A 59 4.643 -1.172 9.448 1.00 0.00 C ATOM 335 O SER A 59 4.015 -0.713 10.402 1.00 0.00 O ATOM 336 CB SER A 59 4.963 -3.642 9.162 1.00 0.00 C ATOM 337 OG SER A 59 4.177 -4.822 9.129 1.00 0.00 O ATOM 0 H SER A 59 4.894 -2.868 6.808 1.00 0.00 H new ATOM 0 HA SER A 59 3.103 -2.585 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.829 -3.760 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.342 -3.482 10.171 1.00 0.00 H new ATOM 0 HG SER A 59 4.721 -5.585 9.415 1.00 0.00 H new ATOM 343 N ARG A 60 5.771 -0.625 8.989 1.00 0.00 N ATOM 344 CA ARG A 60 6.350 0.572 9.597 1.00 0.00 C ATOM 345 C ARG A 60 5.449 1.790 9.384 1.00 0.00 C ATOM 346 O ARG A 60 5.212 2.562 10.315 1.00 0.00 O ATOM 347 CB ARG A 60 7.747 0.843 9.025 1.00 0.00 C ATOM 348 CG ARG A 60 8.465 2.009 9.691 1.00 0.00 C ATOM 349 CD ARG A 60 9.949 1.723 9.879 1.00 0.00 C ATOM 350 NE ARG A 60 10.524 2.511 10.970 1.00 0.00 N ATOM 351 CZ ARG A 60 10.359 2.228 12.266 1.00 0.00 C ATOM 352 NH1 ARG A 60 9.627 1.182 12.642 1.00 0.00 N ATOM 353 NH2 ARG A 60 10.927 2.997 13.190 1.00 0.00 N ATOM 0 H ARG A 60 6.300 -0.993 8.199 1.00 0.00 H new ATOM 0 HA ARG A 60 6.436 0.394 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.355 -0.056 9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.660 1.043 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.341 2.907 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.008 2.213 10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.091 0.662 10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.481 1.943 8.953 1.00 0.00 H new ATOM 0 HE ARG A 60 11.086 3.327 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.186 0.589 11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.507 0.974 13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.488 3.802 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.802 2.782 14.179 1.00 0.00 H new ATOM 367 N VAL A 61 4.949 1.958 8.158 1.00 0.00 N ATOM 368 CA VAL A 61 4.075 3.086 7.837 1.00 0.00 C ATOM 369 C VAL A 61 2.718 2.956 8.538 1.00 0.00 C ATOM 370 O VAL A 61 2.179 3.945 9.036 1.00 0.00 O ATOM 371 CB VAL A 61 3.867 3.247 6.310 1.00 0.00 C ATOM 372 CG1 VAL A 61 3.138 2.051 5.718 1.00 0.00 C ATOM 373 CG2 VAL A 61 3.123 4.542 6.007 1.00 0.00 C ATOM 0 H VAL A 61 5.134 1.330 7.375 1.00 0.00 H new ATOM 0 HA VAL A 61 4.577 3.981 8.204 1.00 0.00 H new ATOM 0 HB VAL A 61 4.850 3.295 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.009 2.198 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.721 1.147 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.161 1.950 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.985 4.639 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.150 4.526 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.701 5.389 6.377 1.00 0.00 H new ATOM 383 N ALA A 62 2.177 1.734 8.581 1.00 0.00 N ATOM 384 CA ALA A 62 0.887 1.481 9.230 1.00 0.00 C ATOM 385 C ALA A 62 0.911 1.894 10.702 1.00 0.00 C ATOM 386 O ALA A 62 -0.117 2.284 11.259 1.00 0.00 O ATOM 387 CB ALA A 62 0.503 0.013 9.109 1.00 0.00 C ATOM 0 H ALA A 62 2.612 0.906 8.175 1.00 0.00 H new ATOM 0 HA ALA A 62 0.140 2.087 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.457 -0.153 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.426 -0.257 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.265 -0.603 9.587 1.00 0.00 H new ATOM 393 N LEU A 63 2.087 1.808 11.327 1.00 0.00 N ATOM 394 CA LEU A 63 2.243 2.177 12.734 1.00 0.00 C ATOM 395 C LEU A 63 1.949 3.660 12.947 1.00 0.00 C ATOM 396 O LEU A 63 1.422 4.054 13.987 1.00 0.00 O ATOM 397 CB LEU A 63 3.662 1.863 13.218 1.00 0.00 C ATOM 398 CG LEU A 63 3.972 0.376 13.415 1.00 0.00 C ATOM 399 CD1 LEU A 63 5.457 0.106 13.210 1.00 0.00 C ATOM 400 CD2 LEU A 63 3.527 -0.083 14.796 1.00 0.00 C ATOM 0 H LEU A 63 2.945 1.486 10.880 1.00 0.00 H new ATOM 0 HA LEU A 63 1.528 1.591 13.311 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.372 2.273 12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.829 2.380 14.163 1.00 0.00 H new ATOM 0 HG LEU A 63 3.417 -0.193 12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.657 -0.956 13.354 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.743 0.395 12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.035 0.685 13.930 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.755 -1.142 14.918 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.053 0.492 15.558 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.453 0.072 14.902 1.00 0.00 H new ATOM 412 N VAL A 64 2.299 4.477 11.955 1.00 0.00 N ATOM 413 CA VAL A 64 2.080 5.916 12.033 1.00 0.00 C ATOM 414 C VAL A 64 0.748 6.306 11.394 1.00 0.00 C ATOM 415 O VAL A 64 -0.108 6.906 12.046 1.00 0.00 O ATOM 416 CB VAL A 64 3.216 6.713 11.354 1.00 0.00 C ATOM 417 CG1 VAL A 64 3.516 7.976 12.143 1.00 0.00 C ATOM 418 CG2 VAL A 64 4.476 5.867 11.200 1.00 0.00 C ATOM 0 H VAL A 64 2.736 4.164 11.088 1.00 0.00 H new ATOM 0 HA VAL A 64 2.064 6.167 13.093 1.00 0.00 H new ATOM 0 HB VAL A 64 2.880 6.991 10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.318 8.529 11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.622 8.598 12.188 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.823 7.709 13.154 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.255 6.459 10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.820 5.545 12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.255 4.992 10.588 1.00 0.00 H new ATOM 428 N ARG A 65 0.579 5.957 10.119 1.00 0.00 N ATOM 429 CA ARG A 65 -0.649 6.268 9.396 1.00 0.00 C ATOM 430 C ARG A 65 -1.245 5.005 8.777 1.00 0.00 C ATOM 431 O ARG A 65 -0.937 4.655 7.636 1.00 0.00 O ATOM 432 CB ARG A 65 -0.382 7.317 8.312 1.00 0.00 C ATOM 433 CG ARG A 65 -0.389 8.744 8.836 1.00 0.00 C ATOM 434 CD ARG A 65 -1.797 9.194 9.189 1.00 0.00 C ATOM 435 NE ARG A 65 -1.804 10.373 10.053 1.00 0.00 N ATOM 436 CZ ARG A 65 -2.858 10.757 10.779 1.00 0.00 C ATOM 437 NH1 ARG A 65 -3.988 10.054 10.754 1.00 0.00 N ATOM 438 NH2 ARG A 65 -2.781 11.848 11.534 1.00 0.00 N ATOM 0 H ARG A 65 1.278 5.459 9.568 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.369 6.676 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.584 7.113 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.136 7.221 7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.249 8.814 9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.031 9.412 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.346 9.415 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.322 8.379 9.687 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.955 10.935 10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.054 9.215 10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.788 10.354 11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.918 12.391 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.585 12.142 12.089 1.00 0.00 H new ATOM 452 N ARG A 66 -2.097 4.323 9.543 1.00 0.00 N ATOM 453 CA ARG A 66 -2.739 3.094 9.077 1.00 0.00 C ATOM 454 C ARG A 66 -3.565 3.339 7.812 1.00 0.00 C ATOM 455 O ARG A 66 -3.684 2.454 6.966 1.00 0.00 O ATOM 456 CB ARG A 66 -3.619 2.487 10.180 1.00 0.00 C ATOM 457 CG ARG A 66 -4.822 3.341 10.562 1.00 0.00 C ATOM 458 CD ARG A 66 -5.985 3.143 9.598 1.00 0.00 C ATOM 459 NE ARG A 66 -7.191 2.667 10.275 1.00 0.00 N ATOM 460 CZ ARG A 66 -7.480 1.377 10.476 1.00 0.00 C ATOM 461 NH1 ARG A 66 -6.643 0.424 10.073 1.00 0.00 N ATOM 462 NH2 ARG A 66 -8.611 1.039 11.086 1.00 0.00 N ATOM 0 H ARG A 66 -2.358 4.601 10.489 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.949 2.385 8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.972 1.510 9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.008 2.323 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.141 3.088 11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.533 4.392 10.572 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.201 4.085 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.698 2.428 8.827 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.854 3.363 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.772 0.675 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.873 -0.557 10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.257 1.763 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.833 0.055 11.240 1.00 0.00 H new ATOM 476 N ASP A 67 -4.133 4.542 7.688 1.00 0.00 N ATOM 477 CA ASP A 67 -4.944 4.898 6.528 1.00 0.00 C ATOM 478 C ASP A 67 -4.164 4.713 5.228 1.00 0.00 C ATOM 479 O ASP A 67 -4.695 4.195 4.245 1.00 0.00 O ATOM 480 CB ASP A 67 -5.431 6.344 6.650 1.00 0.00 C ATOM 481 CG ASP A 67 -4.291 7.342 6.766 1.00 0.00 C ATOM 482 OD1 ASP A 67 -3.675 7.415 7.848 1.00 0.00 O ATOM 483 OD2 ASP A 67 -4.014 8.048 5.773 1.00 0.00 O ATOM 0 H ASP A 67 -4.044 5.285 8.381 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.805 4.231 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.038 6.593 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.076 6.433 7.524 1.00 0.00 H new ATOM 488 N ARG A 68 -2.901 5.134 5.231 1.00 0.00 N ATOM 489 CA ARG A 68 -2.051 5.004 4.053 1.00 0.00 C ATOM 490 C ARG A 68 -1.785 3.533 3.739 1.00 0.00 C ATOM 491 O ARG A 68 -1.931 3.098 2.598 1.00 0.00 O ATOM 492 CB ARG A 68 -0.727 5.745 4.265 1.00 0.00 C ATOM 493 CG ARG A 68 -0.786 7.218 3.895 1.00 0.00 C ATOM 494 CD ARG A 68 0.409 7.981 4.445 1.00 0.00 C ATOM 495 NE ARG A 68 0.355 9.400 4.101 1.00 0.00 N ATOM 496 CZ ARG A 68 -0.421 10.293 4.723 1.00 0.00 C ATOM 497 NH1 ARG A 68 -1.232 9.913 5.710 1.00 0.00 N ATOM 498 NH2 ARG A 68 -0.392 11.568 4.351 1.00 0.00 N ATOM 0 H ARG A 68 -2.446 5.567 6.035 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.572 5.450 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.433 5.653 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.049 5.261 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.816 7.320 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.707 7.654 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.442 7.871 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.329 7.547 4.052 1.00 0.00 H new ATOM 0 HE ARG A 68 0.947 9.730 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.264 8.934 5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.821 10.601 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.222 11.864 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.983 12.251 4.824 1.00 0.00 H new ATOM 512 N ALA A 69 -1.397 2.773 4.765 1.00 0.00 N ATOM 513 CA ALA A 69 -1.106 1.347 4.607 1.00 0.00 C ATOM 514 C ALA A 69 -2.354 0.549 4.227 1.00 0.00 C ATOM 515 O ALA A 69 -2.284 -0.365 3.404 1.00 0.00 O ATOM 516 CB ALA A 69 -0.494 0.784 5.882 1.00 0.00 C ATOM 0 H ALA A 69 -1.277 3.122 5.716 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.389 1.251 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.284 -0.277 5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.433 1.312 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.192 0.913 6.709 1.00 0.00 H new ATOM 522 N GLN A 70 -3.491 0.899 4.830 1.00 0.00 N ATOM 523 CA GLN A 70 -4.754 0.213 4.552 1.00 0.00 C ATOM 524 C GLN A 70 -5.176 0.421 3.099 1.00 0.00 C ATOM 525 O GLN A 70 -5.758 -0.469 2.481 1.00 0.00 O ATOM 526 CB GLN A 70 -5.859 0.683 5.512 1.00 0.00 C ATOM 527 CG GLN A 70 -6.583 1.950 5.072 1.00 0.00 C ATOM 528 CD GLN A 70 -7.948 1.671 4.466 1.00 0.00 C ATOM 529 OE1 GLN A 70 -8.206 0.579 3.959 1.00 0.00 O ATOM 530 NE2 GLN A 70 -8.833 2.661 4.515 1.00 0.00 N ATOM 0 H GLN A 70 -3.563 1.653 5.513 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.599 -0.854 4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.590 -0.118 5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.420 0.853 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.700 2.612 5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.969 2.479 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.579 3.551 4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.766 2.531 4.124 1.00 0.00 H new ATOM 539 N ALA A 71 -4.872 1.601 2.559 1.00 0.00 N ATOM 540 CA ALA A 71 -5.211 1.919 1.179 1.00 0.00 C ATOM 541 C ALA A 71 -4.312 1.155 0.209 1.00 0.00 C ATOM 542 O ALA A 71 -4.733 0.823 -0.898 1.00 0.00 O ATOM 543 CB ALA A 71 -5.113 3.417 0.934 1.00 0.00 C ATOM 0 H ALA A 71 -4.392 2.350 3.059 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.241 1.609 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.370 3.634 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.803 3.940 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.095 3.752 1.133 1.00 0.00 H new ATOM 549 N VAL A 72 -3.076 0.867 0.628 1.00 0.00 N ATOM 550 CA VAL A 72 -2.139 0.131 -0.218 1.00 0.00 C ATOM 551 C VAL A 72 -2.598 -1.317 -0.397 1.00 0.00 C ATOM 552 O VAL A 72 -2.653 -1.821 -1.520 1.00 0.00 O ATOM 553 CB VAL A 72 -0.704 0.131 0.357 1.00 0.00 C ATOM 554 CG1 VAL A 72 0.268 -0.484 -0.641 1.00 0.00 C ATOM 555 CG2 VAL A 72 -0.264 1.539 0.736 1.00 0.00 C ATOM 0 H VAL A 72 -2.706 1.131 1.541 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.124 0.642 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.703 -0.475 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.274 -0.477 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.029 -1.511 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.256 0.095 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.749 1.508 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.285 2.177 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.941 1.941 1.490 1.00 0.00 H new ATOM 565 N GLU A 73 -2.936 -1.977 0.715 1.00 0.00 N ATOM 566 CA GLU A 73 -3.401 -3.364 0.669 1.00 0.00 C ATOM 567 C GLU A 73 -4.778 -3.457 0.010 1.00 0.00 C ATOM 568 O GLU A 73 -5.041 -4.382 -0.760 1.00 0.00 O ATOM 569 CB GLU A 73 -3.434 -3.994 2.071 1.00 0.00 C ATOM 570 CG GLU A 73 -4.119 -3.142 3.133 1.00 0.00 C ATOM 571 CD GLU A 73 -5.332 -3.824 3.739 1.00 0.00 C ATOM 572 OE1 GLU A 73 -5.183 -4.946 4.268 1.00 0.00 O ATOM 573 OE2 GLU A 73 -6.431 -3.236 3.686 1.00 0.00 O ATOM 0 H GLU A 73 -2.896 -1.575 1.652 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.689 -3.926 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.944 -4.956 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.411 -4.195 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.405 -2.911 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.424 -2.193 2.691 1.00 0.00 H new ATOM 580 N THR A 74 -5.650 -2.486 0.301 1.00 0.00 N ATOM 581 CA THR A 74 -6.991 -2.461 -0.284 1.00 0.00 C ATOM 582 C THR A 74 -6.920 -2.144 -1.782 1.00 0.00 C ATOM 583 O THR A 74 -7.740 -2.624 -2.566 1.00 0.00 O ATOM 584 CB THR A 74 -7.885 -1.446 0.439 1.00 0.00 C ATOM 585 OG1 THR A 74 -8.015 -1.784 1.810 1.00 0.00 O ATOM 586 CG2 THR A 74 -9.284 -1.353 -0.140 1.00 0.00 C ATOM 0 H THR A 74 -5.451 -1.712 0.935 1.00 0.00 H new ATOM 0 HA THR A 74 -7.432 -3.450 -0.161 1.00 0.00 H new ATOM 0 HB THR A 74 -7.390 -0.483 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.226 -1.471 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.861 -0.617 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.226 -1.050 -1.185 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.772 -2.325 -0.071 1.00 0.00 H new ATOM 594 N TYR A 75 -5.929 -1.338 -2.172 1.00 0.00 N ATOM 595 CA TYR A 75 -5.738 -0.963 -3.569 1.00 0.00 C ATOM 596 C TYR A 75 -5.344 -2.182 -4.409 1.00 0.00 C ATOM 597 O TYR A 75 -5.896 -2.405 -5.487 1.00 0.00 O ATOM 598 CB TYR A 75 -4.662 0.130 -3.662 1.00 0.00 C ATOM 599 CG TYR A 75 -3.993 0.245 -5.013 1.00 0.00 C ATOM 600 CD1 TYR A 75 -2.931 -0.583 -5.355 1.00 0.00 C ATOM 601 CD2 TYR A 75 -4.419 1.182 -5.943 1.00 0.00 C ATOM 602 CE1 TYR A 75 -2.314 -0.480 -6.583 1.00 0.00 C ATOM 603 CE2 TYR A 75 -3.807 1.292 -7.176 1.00 0.00 C ATOM 604 CZ TYR A 75 -2.755 0.459 -7.492 1.00 0.00 C ATOM 605 OH TYR A 75 -2.142 0.565 -8.720 1.00 0.00 O ATOM 0 H TYR A 75 -5.245 -0.932 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.677 -0.575 -3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.116 1.089 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.898 -0.066 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.583 -1.320 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.243 1.836 -5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.489 -1.131 -6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.151 2.027 -7.889 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.574 1.274 -9.241 1.00 0.00 H new ATOM 615 N LEU A 76 -4.387 -2.966 -3.907 1.00 0.00 N ATOM 616 CA LEU A 76 -3.918 -4.159 -4.615 1.00 0.00 C ATOM 617 C LEU A 76 -5.055 -5.158 -4.839 1.00 0.00 C ATOM 618 O LEU A 76 -5.215 -5.683 -5.942 1.00 0.00 O ATOM 619 CB LEU A 76 -2.779 -4.829 -3.839 1.00 0.00 C ATOM 620 CG LEU A 76 -2.258 -6.137 -4.448 1.00 0.00 C ATOM 621 CD1 LEU A 76 -1.384 -5.855 -5.663 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.492 -6.944 -3.408 1.00 0.00 C ATOM 0 H LEU A 76 -3.923 -2.797 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.548 -3.841 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.949 -4.126 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.121 -5.030 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.114 -6.727 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.025 -6.796 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.967 -5.324 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.533 -5.242 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.130 -7.868 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.645 -6.361 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.152 -7.181 -2.573 1.00 0.00 H new ATOM 634 N LYS A 77 -5.844 -5.413 -3.793 1.00 0.00 N ATOM 635 CA LYS A 77 -6.965 -6.349 -3.894 1.00 0.00 C ATOM 636 C LYS A 77 -8.000 -5.857 -4.906 1.00 0.00 C ATOM 637 O LYS A 77 -8.620 -6.658 -5.607 1.00 0.00 O ATOM 638 CB LYS A 77 -7.614 -6.576 -2.525 1.00 0.00 C ATOM 639 CG LYS A 77 -8.145 -5.311 -1.870 1.00 0.00 C ATOM 640 CD LYS A 77 -9.062 -5.633 -0.700 1.00 0.00 C ATOM 641 CE LYS A 77 -10.497 -5.217 -0.984 1.00 0.00 C ATOM 642 NZ LYS A 77 -11.100 -6.006 -2.096 1.00 0.00 N ATOM 0 H LYS A 77 -5.729 -4.988 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.572 -7.303 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.434 -7.285 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.883 -7.036 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.311 -4.702 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.687 -4.718 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.027 -6.703 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.705 -5.123 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.096 -5.345 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.524 -4.157 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.078 -5.690 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.544 -5.864 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.099 -7.015 -1.846 1.00 0.00 H new ATOM 656 N LYS A 78 -8.171 -4.535 -4.991 1.00 0.00 N ATOM 657 CA LYS A 78 -9.116 -3.946 -5.936 1.00 0.00 C ATOM 658 C LYS A 78 -8.684 -4.250 -7.369 1.00 0.00 C ATOM 659 O LYS A 78 -9.502 -4.635 -8.205 1.00 0.00 O ATOM 660 CB LYS A 78 -9.214 -2.431 -5.724 1.00 0.00 C ATOM 661 CG LYS A 78 -10.613 -1.875 -5.941 1.00 0.00 C ATOM 662 CD LYS A 78 -10.680 -0.386 -5.626 1.00 0.00 C ATOM 663 CE LYS A 78 -11.262 -0.125 -4.242 1.00 0.00 C ATOM 664 NZ LYS A 78 -12.583 -0.790 -4.050 1.00 0.00 N ATOM 0 H LYS A 78 -7.668 -3.857 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.099 -4.384 -5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.891 -2.193 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.524 -1.932 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.915 -2.043 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.321 -2.413 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.680 0.043 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.289 0.117 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.565 -0.481 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.373 0.949 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.184 -0.199 -3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.045 -0.918 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.443 -1.718 -3.601 1.00 0.00 H new ATOM 678 N LEU A 79 -7.387 -4.085 -7.640 1.00 0.00 N ATOM 679 CA LEU A 79 -6.833 -4.352 -8.967 1.00 0.00 C ATOM 680 C LEU A 79 -7.039 -5.816 -9.361 1.00 0.00 C ATOM 681 O LEU A 79 -7.400 -6.110 -10.500 1.00 0.00 O ATOM 682 CB LEU A 79 -5.339 -4.009 -9.000 1.00 0.00 C ATOM 683 CG LEU A 79 -5.006 -2.570 -9.410 1.00 0.00 C ATOM 684 CD1 LEU A 79 -5.461 -1.589 -8.340 1.00 0.00 C ATOM 685 CD2 LEU A 79 -3.512 -2.423 -9.669 1.00 0.00 C ATOM 0 H LEU A 79 -6.701 -3.767 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.360 -3.723 -9.685 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.919 -4.194 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.842 -4.690 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.541 -2.343 -10.332 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.216 -0.573 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.539 -1.676 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.955 -1.814 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.292 -1.396 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.960 -2.670 -8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.214 -3.098 -10.471 1.00 0.00 H new ATOM 697 N ILE A 80 -6.813 -6.730 -8.412 1.00 0.00 N ATOM 698 CA ILE A 80 -6.981 -8.161 -8.670 1.00 0.00 C ATOM 699 C ILE A 80 -8.442 -8.499 -8.963 1.00 0.00 C ATOM 700 O ILE A 80 -8.736 -9.269 -9.878 1.00 0.00 O ATOM 701 CB ILE A 80 -6.495 -9.027 -7.483 1.00 0.00 C ATOM 702 CG1 ILE A 80 -5.054 -8.671 -7.102 1.00 0.00 C ATOM 703 CG2 ILE A 80 -6.600 -10.508 -7.830 1.00 0.00 C ATOM 704 CD1 ILE A 80 -4.667 -9.119 -5.708 1.00 0.00 C ATOM 0 H ILE A 80 -6.515 -6.505 -7.463 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.369 -8.390 -9.542 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.136 -8.821 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.374 -9.125 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.923 -7.591 -7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.255 -11.105 -6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.638 -10.757 -8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.982 -10.722 -8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.634 -8.833 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.323 -8.645 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.765 -10.202 -5.634 1.00 0.00 H new ATOM 716 N ALA A 81 -9.353 -7.917 -8.180 1.00 0.00 N ATOM 717 CA ALA A 81 -10.785 -8.154 -8.358 1.00 0.00 C ATOM 718 C ALA A 81 -11.279 -7.613 -9.699 1.00 0.00 C ATOM 719 O ALA A 81 -12.231 -8.144 -10.274 1.00 0.00 O ATOM 720 CB ALA A 81 -11.575 -7.531 -7.217 1.00 0.00 C ATOM 0 H ALA A 81 -9.124 -7.279 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.944 -9.232 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.638 -7.717 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.259 -7.972 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.395 -6.456 -7.194 1.00 0.00 H new ATOM 726 N THR A 82 -10.632 -6.557 -10.193 1.00 0.00 N ATOM 727 CA THR A 82 -11.012 -5.954 -11.465 1.00 0.00 C ATOM 728 C THR A 82 -10.349 -6.690 -12.632 1.00 0.00 C ATOM 729 O THR A 82 -11.034 -7.273 -13.473 1.00 0.00 O ATOM 730 CB THR A 82 -10.639 -4.464 -11.487 1.00 0.00 C ATOM 731 OG1 THR A 82 -11.089 -3.811 -10.310 1.00 0.00 O ATOM 732 CG2 THR A 82 -11.213 -3.714 -12.671 1.00 0.00 C ATOM 0 H THR A 82 -9.844 -6.104 -9.730 1.00 0.00 H new ATOM 0 HA THR A 82 -12.093 -6.041 -11.575 1.00 0.00 H new ATOM 0 HB THR A 82 -9.551 -4.447 -11.559 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.509 -4.055 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.909 -2.668 -12.621 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.843 -4.156 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.301 -3.777 -12.649 1.00 0.00 H new ATOM 740 N ASN A 83 -9.014 -6.663 -12.672 1.00 0.00 N ATOM 741 CA ASN A 83 -8.256 -7.332 -13.736 1.00 0.00 C ATOM 742 C ASN A 83 -6.744 -7.118 -13.592 1.00 0.00 C ATOM 743 O ASN A 83 -5.956 -7.979 -13.986 1.00 0.00 O ATOM 744 CB ASN A 83 -8.710 -6.851 -15.124 1.00 0.00 C ATOM 745 CG ASN A 83 -9.041 -5.366 -15.168 1.00 0.00 C ATOM 746 OD1 ASN A 83 -10.205 -4.983 -15.263 1.00 0.00 O ATOM 747 ND2 ASN A 83 -8.016 -4.521 -15.110 1.00 0.00 N ATOM 0 H ASN A 83 -8.435 -6.186 -11.981 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.460 -8.398 -13.637 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.924 -7.063 -15.849 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.587 -7.421 -15.429 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.182 -3.515 -15.144 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.064 -4.879 -15.031 1.00 0.00 H new ATOM 754 N ASN A 84 -6.345 -5.964 -13.044 1.00 0.00 N ATOM 755 CA ASN A 84 -4.929 -5.638 -12.867 1.00 0.00 C ATOM 756 C ASN A 84 -4.206 -6.703 -12.051 1.00 0.00 C ATOM 757 O ASN A 84 -4.254 -6.704 -10.819 1.00 0.00 O ATOM 758 CB ASN A 84 -4.779 -4.278 -12.192 1.00 0.00 C ATOM 759 CG ASN A 84 -4.777 -3.139 -13.190 1.00 0.00 C ATOM 760 OD1 ASN A 84 -3.724 -2.609 -13.542 1.00 0.00 O ATOM 761 ND2 ASN A 84 -5.960 -2.754 -13.654 1.00 0.00 N ATOM 0 H ASN A 84 -6.985 -5.241 -12.716 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.473 -5.603 -13.857 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.594 -4.135 -11.482 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.851 -4.259 -11.620 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.020 -1.991 -14.329 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.809 -3.221 -13.336 1.00 0.00 H new ATOM 768 N VAL A 85 -3.536 -7.605 -12.758 1.00 0.00 N ATOM 769 CA VAL A 85 -2.790 -8.689 -12.128 1.00 0.00 C ATOM 770 C VAL A 85 -1.576 -9.082 -12.973 1.00 0.00 C ATOM 771 O VAL A 85 -1.585 -10.109 -13.657 1.00 0.00 O ATOM 772 CB VAL A 85 -3.672 -9.938 -11.899 1.00 0.00 C ATOM 773 CG1 VAL A 85 -2.915 -10.981 -11.091 1.00 0.00 C ATOM 774 CG2 VAL A 85 -4.976 -9.567 -11.204 1.00 0.00 C ATOM 0 H VAL A 85 -3.494 -7.607 -13.777 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.456 -8.316 -11.160 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.918 -10.362 -12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.550 -11.854 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.015 -11.276 -11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.637 -10.561 -10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.577 -10.464 -11.055 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.757 -9.113 -10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.528 -8.858 -11.821 1.00 0.00 H new ATOM 784 N THR A 86 -0.533 -8.258 -12.919 1.00 0.00 N ATOM 785 CA THR A 86 0.693 -8.519 -13.675 1.00 0.00 C ATOM 786 C THR A 86 1.938 -8.158 -12.858 1.00 0.00 C ATOM 787 O THR A 86 3.005 -7.905 -13.422 1.00 0.00 O ATOM 788 CB THR A 86 0.685 -7.736 -14.996 1.00 0.00 C ATOM 789 OG1 THR A 86 0.859 -6.346 -14.768 1.00 0.00 O ATOM 790 CG2 THR A 86 -0.590 -7.913 -15.794 1.00 0.00 C ATOM 0 H THR A 86 -0.510 -7.404 -12.361 1.00 0.00 H new ATOM 0 HA THR A 86 0.728 -9.586 -13.894 1.00 0.00 H new ATOM 0 HB THR A 86 1.516 -8.146 -15.571 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.852 -5.871 -15.625 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.527 -7.332 -16.714 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.723 -8.967 -16.038 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.439 -7.567 -15.204 1.00 0.00 H new ATOM 798 N HIS A 87 1.796 -8.134 -11.529 1.00 0.00 N ATOM 799 CA HIS A 87 2.908 -7.799 -10.641 1.00 0.00 C ATOM 800 C HIS A 87 2.489 -7.902 -9.170 1.00 0.00 C ATOM 801 O HIS A 87 1.365 -8.304 -8.862 1.00 0.00 O ATOM 802 CB HIS A 87 3.417 -6.383 -10.940 1.00 0.00 C ATOM 803 CG HIS A 87 2.344 -5.336 -10.910 1.00 0.00 C ATOM 804 ND1 HIS A 87 1.968 -4.609 -12.019 1.00 0.00 N ATOM 805 CD2 HIS A 87 1.564 -4.896 -9.893 1.00 0.00 C ATOM 806 CE1 HIS A 87 1.006 -3.767 -11.685 1.00 0.00 C ATOM 807 NE2 HIS A 87 0.742 -3.921 -10.400 1.00 0.00 N ATOM 0 H HIS A 87 0.922 -8.343 -11.047 1.00 0.00 H new ATOM 0 HA HIS A 87 3.710 -8.515 -10.821 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.186 -6.122 -10.213 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.891 -6.377 -11.922 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.585 -5.248 -8.872 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.518 -3.070 -12.350 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.042 -3.401 -9.871 1.00 0.00 H new ATOM 816 N LYS A 88 3.399 -7.528 -8.269 1.00 0.00 N ATOM 817 CA LYS A 88 3.130 -7.567 -6.832 1.00 0.00 C ATOM 818 C LYS A 88 3.302 -6.176 -6.217 1.00 0.00 C ATOM 819 O LYS A 88 3.580 -5.208 -6.927 1.00 0.00 O ATOM 820 CB LYS A 88 4.063 -8.573 -6.148 1.00 0.00 C ATOM 821 CG LYS A 88 3.821 -10.016 -6.572 1.00 0.00 C ATOM 822 CD LYS A 88 5.078 -10.645 -7.157 1.00 0.00 C ATOM 823 CE LYS A 88 5.219 -12.104 -6.746 1.00 0.00 C ATOM 824 NZ LYS A 88 5.601 -12.977 -7.893 1.00 0.00 N ATOM 0 H LYS A 88 4.332 -7.194 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 88 2.099 -7.885 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.096 -8.306 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.939 -8.495 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.488 -10.598 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.019 -10.050 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.049 -10.574 -8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.953 -10.087 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.971 -12.188 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.277 -12.453 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.686 -13.961 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.871 -12.919 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.513 -12.661 -8.281 1.00 0.00 H new ATOM 838 N ILE A 89 3.131 -6.078 -4.898 1.00 0.00 N ATOM 839 CA ILE A 89 3.268 -4.797 -4.203 1.00 0.00 C ATOM 840 C ILE A 89 4.669 -4.217 -4.391 1.00 0.00 C ATOM 841 O ILE A 89 4.828 -3.154 -4.984 1.00 0.00 O ATOM 842 CB ILE A 89 2.973 -4.924 -2.688 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.524 -5.360 -2.450 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.254 -3.606 -1.975 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.492 -4.410 -3.022 1.00 0.00 C ATOM 0 H ILE A 89 2.899 -6.865 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 89 2.532 -4.125 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 89 3.633 -5.689 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.376 -6.347 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.357 -5.459 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.041 -3.715 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.301 -3.336 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.621 -2.824 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.508 -4.789 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.610 -3.427 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.630 -4.329 -4.100 1.00 0.00 H new ATOM 857 N THR A 90 5.673 -4.929 -3.872 1.00 0.00 N ATOM 858 CA THR A 90 7.079 -4.508 -3.957 1.00 0.00 C ATOM 859 C THR A 90 7.302 -3.162 -3.261 1.00 0.00 C ATOM 860 O THR A 90 6.389 -2.342 -3.155 1.00 0.00 O ATOM 861 CB THR A 90 7.561 -4.433 -5.420 1.00 0.00 C ATOM 862 OG1 THR A 90 7.280 -3.165 -5.992 1.00 0.00 O ATOM 863 CG2 THR A 90 6.950 -5.488 -6.320 1.00 0.00 C ATOM 0 H THR A 90 5.537 -5.813 -3.381 1.00 0.00 H new ATOM 0 HA THR A 90 7.668 -5.266 -3.441 1.00 0.00 H new ATOM 0 HB THR A 90 8.635 -4.608 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.366 -2.897 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.337 -5.371 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.207 -6.479 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.866 -5.374 -6.331 1.00 0.00 H new ATOM 871 N GLU A 91 8.525 -2.943 -2.784 1.00 0.00 N ATOM 872 CA GLU A 91 8.869 -1.697 -2.101 1.00 0.00 C ATOM 873 C GLU A 91 8.778 -0.492 -3.045 1.00 0.00 C ATOM 874 O GLU A 91 8.439 0.612 -2.619 1.00 0.00 O ATOM 875 CB GLU A 91 10.270 -1.791 -1.487 1.00 0.00 C ATOM 876 CG GLU A 91 11.387 -1.978 -2.504 1.00 0.00 C ATOM 877 CD GLU A 91 12.483 -0.942 -2.356 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.310 -1.081 -1.430 1.00 0.00 O ATOM 879 OE2 GLU A 91 12.512 0.010 -3.163 1.00 0.00 O ATOM 0 H GLU A 91 9.293 -3.610 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 91 8.143 -1.547 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.464 -0.885 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.291 -2.624 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.815 -2.974 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.972 -1.922 -3.510 1.00 0.00 H new ATOM 886 N ALA A 92 9.087 -0.711 -4.324 1.00 0.00 N ATOM 887 CA ALA A 92 9.048 0.359 -5.324 1.00 0.00 C ATOM 888 C ALA A 92 7.616 0.808 -5.631 1.00 0.00 C ATOM 889 O ALA A 92 7.337 2.007 -5.695 1.00 0.00 O ATOM 890 CB ALA A 92 9.747 -0.085 -6.604 1.00 0.00 C ATOM 0 H ALA A 92 9.367 -1.620 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 92 9.576 1.215 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.710 0.721 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.787 -0.329 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.245 -0.965 -7.006 1.00 0.00 H new ATOM 896 N GLU A 93 6.715 -0.152 -5.834 1.00 0.00 N ATOM 897 CA GLU A 93 5.320 0.162 -6.150 1.00 0.00 C ATOM 898 C GLU A 93 4.555 0.662 -4.925 1.00 0.00 C ATOM 899 O GLU A 93 3.707 1.547 -5.042 1.00 0.00 O ATOM 900 CB GLU A 93 4.615 -1.060 -6.741 1.00 0.00 C ATOM 901 CG GLU A 93 3.949 -0.789 -8.079 1.00 0.00 C ATOM 902 CD GLU A 93 3.142 -1.971 -8.579 1.00 0.00 C ATOM 903 OE1 GLU A 93 3.744 -2.887 -9.178 1.00 0.00 O ATOM 904 OE2 GLU A 93 1.909 -1.981 -8.374 1.00 0.00 O ATOM 0 H GLU A 93 6.923 -1.149 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 93 5.330 0.964 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.340 -1.865 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.863 -1.412 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.296 0.079 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.712 -0.537 -8.816 1.00 0.00 H new ATOM 911 N ILE A 94 4.852 0.098 -3.753 1.00 0.00 N ATOM 912 CA ILE A 94 4.170 0.502 -2.525 1.00 0.00 C ATOM 913 C ILE A 94 4.443 1.971 -2.201 1.00 0.00 C ATOM 914 O ILE A 94 3.541 2.690 -1.767 1.00 0.00 O ATOM 915 CB ILE A 94 4.572 -0.383 -1.321 1.00 0.00 C ATOM 916 CG1 ILE A 94 3.715 -0.043 -0.100 1.00 0.00 C ATOM 917 CG2 ILE A 94 6.050 -0.228 -0.994 1.00 0.00 C ATOM 918 CD1 ILE A 94 3.613 -1.173 0.901 1.00 0.00 C ATOM 0 H ILE A 94 5.553 -0.632 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 94 3.103 0.369 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 94 4.396 -1.424 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.134 0.833 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.713 0.228 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.303 -0.862 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.647 -0.523 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.261 0.812 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.991 -0.861 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.166 -2.044 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.609 -1.429 1.263 1.00 0.00 H new ATOM 930 N VAL A 95 5.678 2.422 -2.433 1.00 0.00 N ATOM 931 CA VAL A 95 6.038 3.815 -2.179 1.00 0.00 C ATOM 932 C VAL A 95 5.236 4.746 -3.089 1.00 0.00 C ATOM 933 O VAL A 95 4.747 5.787 -2.648 1.00 0.00 O ATOM 934 CB VAL A 95 7.549 4.068 -2.388 1.00 0.00 C ATOM 935 CG1 VAL A 95 7.889 5.538 -2.177 1.00 0.00 C ATOM 936 CG2 VAL A 95 8.374 3.190 -1.458 1.00 0.00 C ATOM 0 H VAL A 95 6.439 1.846 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 95 5.800 4.024 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 95 7.796 3.807 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.958 5.690 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.331 6.146 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.622 5.831 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.434 3.383 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.119 3.416 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.161 2.141 -1.664 1.00 0.00 H new ATOM 946 N SER A 96 5.092 4.356 -4.358 1.00 0.00 N ATOM 947 CA SER A 96 4.337 5.151 -5.324 1.00 0.00 C ATOM 948 C SER A 96 2.860 5.206 -4.939 1.00 0.00 C ATOM 949 O SER A 96 2.249 6.276 -4.953 1.00 0.00 O ATOM 950 CB SER A 96 4.493 4.577 -6.736 1.00 0.00 C ATOM 951 OG SER A 96 4.848 5.591 -7.661 1.00 0.00 O ATOM 0 H SER A 96 5.488 3.496 -4.738 1.00 0.00 H new ATOM 0 HA SER A 96 4.737 6.165 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.256 3.799 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.560 4.107 -7.046 1.00 0.00 H new ATOM 0 HG SER A 96 4.943 5.200 -8.554 1.00 0.00 H new ATOM 957 N ILE A 97 2.292 4.051 -4.578 1.00 0.00 N ATOM 958 CA ILE A 97 0.888 3.987 -4.175 1.00 0.00 C ATOM 959 C ILE A 97 0.662 4.820 -2.915 1.00 0.00 C ATOM 960 O ILE A 97 -0.313 5.567 -2.824 1.00 0.00 O ATOM 961 CB ILE A 97 0.418 2.534 -3.922 1.00 0.00 C ATOM 962 CG1 ILE A 97 0.690 1.657 -5.150 1.00 0.00 C ATOM 963 CG2 ILE A 97 -1.066 2.506 -3.570 1.00 0.00 C ATOM 964 CD1 ILE A 97 0.964 0.207 -4.810 1.00 0.00 C ATOM 0 H ILE A 97 2.780 3.156 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 97 0.300 4.391 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 97 0.983 2.134 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.168 1.709 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.544 2.062 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.379 1.477 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.237 3.095 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.643 2.926 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.148 -0.353 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.840 0.144 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.102 -0.215 -4.294 1.00 0.00 H new ATOM 976 N LEU A 98 1.580 4.702 -1.955 1.00 0.00 N ATOM 977 CA LEU A 98 1.492 5.459 -0.709 1.00 0.00 C ATOM 978 C LEU A 98 1.519 6.961 -0.993 1.00 0.00 C ATOM 979 O LEU A 98 0.774 7.731 -0.384 1.00 0.00 O ATOM 980 CB LEU A 98 2.648 5.087 0.225 1.00 0.00 C ATOM 981 CG LEU A 98 2.300 4.081 1.328 1.00 0.00 C ATOM 982 CD1 LEU A 98 3.339 2.971 1.394 1.00 0.00 C ATOM 983 CD2 LEU A 98 2.185 4.786 2.672 1.00 0.00 C ATOM 0 H LEU A 98 2.393 4.089 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 98 0.549 5.208 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.461 4.677 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.024 5.997 0.692 1.00 0.00 H new ATOM 0 HG LEU A 98 1.337 3.631 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.072 2.269 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.373 2.447 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.318 3.401 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.937 4.058 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.134 5.264 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.401 5.541 2.621 1.00 0.00 H new ATOM 995 N ASN A 99 2.380 7.366 -1.930 1.00 0.00 N ATOM 996 CA ASN A 99 2.507 8.772 -2.310 1.00 0.00 C ATOM 997 C ASN A 99 1.211 9.289 -2.933 1.00 0.00 C ATOM 998 O ASN A 99 0.817 10.434 -2.705 1.00 0.00 O ATOM 999 CB ASN A 99 3.670 8.954 -3.290 1.00 0.00 C ATOM 1000 CG ASN A 99 4.952 9.367 -2.592 1.00 0.00 C ATOM 1001 OD1 ASN A 99 5.174 10.548 -2.328 1.00 0.00 O ATOM 1002 ND2 ASN A 99 5.804 8.394 -2.288 1.00 0.00 N ATOM 0 H ASN A 99 3.000 6.737 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 99 2.708 9.350 -1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.837 8.022 -3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.403 9.708 -4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.682 8.613 -1.817 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.580 7.428 -2.525 1.00 0.00 H new ATOM 1009 N GLY A 100 0.543 8.431 -3.705 1.00 0.00 N ATOM 1010 CA GLY A 100 -0.710 8.811 -4.333 1.00 0.00 C ATOM 1011 C GLY A 100 -1.846 8.856 -3.334 1.00 0.00 C ATOM 1012 O GLY A 100 -2.715 9.726 -3.405 1.00 0.00 O ATOM 0 H GLY A 100 0.850 7.479 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.600 9.788 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.950 8.102 -5.125 1.00 0.00 H new ATOM 1016 N ILE A 101 -1.823 7.916 -2.390 1.00 0.00 N ATOM 1017 CA ILE A 101 -2.837 7.833 -1.347 1.00 0.00 C ATOM 1018 C ILE A 101 -2.928 9.146 -0.565 1.00 0.00 C ATOM 1019 O ILE A 101 -4.022 9.602 -0.228 1.00 0.00 O ATOM 1020 CB ILE A 101 -2.529 6.664 -0.381 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -2.987 5.338 -0.994 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -3.184 6.881 0.975 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -2.371 4.122 -0.337 1.00 0.00 C ATOM 0 H ILE A 101 -1.104 7.195 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.797 7.650 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.451 6.627 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.072 5.269 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.738 5.333 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.949 6.043 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.809 7.804 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.264 6.952 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.741 3.219 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.286 4.167 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.641 4.103 0.719 1.00 0.00 H new ATOM 1035 N ALA A 102 -1.771 9.752 -0.289 1.00 0.00 N ATOM 1036 CA ALA A 102 -1.720 11.015 0.443 1.00 0.00 C ATOM 1037 C ALA A 102 -2.476 12.111 -0.305 1.00 0.00 C ATOM 1038 O ALA A 102 -3.183 12.914 0.305 1.00 0.00 O ATOM 1039 CB ALA A 102 -0.276 11.433 0.683 1.00 0.00 C ATOM 0 H ALA A 102 -0.859 9.387 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.205 10.867 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.256 12.376 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.233 10.665 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.231 11.558 -0.274 1.00 0.00 H new ATOM 1045 N LYS A 103 -2.328 12.132 -1.630 1.00 0.00 N ATOM 1046 CA LYS A 103 -3.004 13.121 -2.466 1.00 0.00 C ATOM 1047 C LYS A 103 -4.514 12.863 -2.506 1.00 0.00 C ATOM 1048 O LYS A 103 -5.307 13.800 -2.606 1.00 0.00 O ATOM 1049 CB LYS A 103 -2.426 13.101 -3.885 1.00 0.00 C ATOM 1050 CG LYS A 103 -2.571 14.421 -4.625 1.00 0.00 C ATOM 1051 CD LYS A 103 -2.291 14.265 -6.112 1.00 0.00 C ATOM 1052 CE LYS A 103 -3.572 14.323 -6.931 1.00 0.00 C ATOM 1053 NZ LYS A 103 -4.239 12.993 -7.026 1.00 0.00 N ATOM 0 H LYS A 103 -1.745 11.474 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.837 14.106 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.369 12.838 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.922 12.317 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.580 14.809 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.885 15.154 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.613 15.053 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -1.787 13.315 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.258 15.040 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.345 14.686 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.107 13.080 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.596 12.314 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.480 12.657 -6.072 1.00 0.00 H new ATOM 1067 N GLN A 104 -4.903 11.587 -2.425 1.00 0.00 N ATOM 1068 CA GLN A 104 -6.316 11.205 -2.447 1.00 0.00 C ATOM 1069 C GLN A 104 -7.050 11.738 -1.215 1.00 0.00 C ATOM 1070 O GLN A 104 -8.146 12.288 -1.327 1.00 0.00 O ATOM 1071 CB GLN A 104 -6.453 9.678 -2.514 1.00 0.00 C ATOM 1072 CG GLN A 104 -7.189 9.176 -3.749 1.00 0.00 C ATOM 1073 CD GLN A 104 -8.574 9.782 -3.904 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -8.903 10.340 -4.950 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -9.395 9.675 -2.863 1.00 0.00 N ATOM 0 H GLN A 104 -4.258 10.801 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.769 11.646 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.458 9.233 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.979 9.331 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.597 9.405 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.277 8.091 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -9.083 9.204 -2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -10.337 10.064 -2.914 1.00 0.00 H new