USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=7 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 Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.65 K(o=-0.65,f=0) USER MOD Single : A 74 THR OG1 : rot -83:sc= -0.314! USER MOD Single : A 75 TYR OH : rot 180:sc=-0.00688 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 88:sc= 0.598 USER MOD Single : A 83 ASN : amide:sc= -2.73! C(o=-2.7!,f=-3.9!) USER MOD Single : A 84 ASN : amide:sc= -2! K(o=-2!,f=-1.4) USER MOD Single : A 86 THR OG1 : rot -18:sc= 0.614 USER MOD Single : A 87 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -6.384 -9.322 -3.507 1.00 0.00 N ATOM 118 CA ILE A 46 -5.126 -9.111 -4.221 1.00 0.00 C ATOM 119 C ILE A 46 -3.913 -9.574 -3.399 1.00 0.00 C ATOM 120 O ILE A 46 -2.779 -9.517 -3.877 1.00 0.00 O ATOM 121 CB ILE A 46 -4.955 -7.626 -4.610 1.00 0.00 C ATOM 122 CG1 ILE A 46 -6.209 -7.122 -5.333 1.00 0.00 C ATOM 123 CG2 ILE A 46 -3.722 -7.438 -5.483 1.00 0.00 C ATOM 124 CD1 ILE A 46 -7.219 -6.471 -4.413 1.00 0.00 C ATOM 0 HA ILE A 46 -5.172 -9.716 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.819 -7.042 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.913 -6.405 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.684 -7.959 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.620 -6.385 -5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.837 -7.763 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.826 -8.031 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.079 -6.139 -4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.544 -7.191 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.762 -5.613 -3.919 1.00 0.00 H new ATOM 136 N ALA A 47 -4.154 -10.046 -2.171 1.00 0.00 N ATOM 137 CA ALA A 47 -3.077 -10.526 -1.303 1.00 0.00 C ATOM 138 C ALA A 47 -2.298 -11.669 -1.958 1.00 0.00 C ATOM 139 O ALA A 47 -1.123 -11.881 -1.658 1.00 0.00 O ATOM 140 CB ALA A 47 -3.640 -10.975 0.036 1.00 0.00 C ATOM 0 H ALA A 47 -5.085 -10.105 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.386 -9.699 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.828 -11.329 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.140 -10.136 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.356 -11.782 -0.122 1.00 0.00 H new ATOM 146 N ASN A 48 -2.960 -12.398 -2.860 1.00 0.00 N ATOM 147 CA ASN A 48 -2.333 -13.516 -3.566 1.00 0.00 C ATOM 148 C ASN A 48 -1.397 -13.021 -4.674 1.00 0.00 C ATOM 149 O ASN A 48 -0.587 -13.788 -5.198 1.00 0.00 O ATOM 150 CB ASN A 48 -3.403 -14.437 -4.159 1.00 0.00 C ATOM 151 CG ASN A 48 -4.347 -14.983 -3.103 1.00 0.00 C ATOM 152 OD1 ASN A 48 -4.074 -16.010 -2.483 1.00 0.00 O ATOM 153 ND2 ASN A 48 -5.466 -14.296 -2.889 1.00 0.00 N ATOM 0 H ASN A 48 -3.933 -12.233 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.738 -14.075 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.976 -13.889 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.919 -15.267 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.135 -14.616 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.655 -13.449 -3.425 1.00 0.00 H new ATOM 160 N PHE A 49 -1.507 -11.736 -5.025 1.00 0.00 N ATOM 161 CA PHE A 49 -0.669 -11.145 -6.064 1.00 0.00 C ATOM 162 C PHE A 49 0.574 -10.465 -5.472 1.00 0.00 C ATOM 163 O PHE A 49 1.115 -9.526 -6.060 1.00 0.00 O ATOM 164 CB PHE A 49 -1.486 -10.130 -6.868 1.00 0.00 C ATOM 165 CG PHE A 49 -1.514 -10.416 -8.342 1.00 0.00 C ATOM 166 CD1 PHE A 49 -2.447 -11.292 -8.874 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.607 -9.808 -9.194 1.00 0.00 C ATOM 168 CE1 PHE A 49 -2.476 -11.554 -10.229 1.00 0.00 C ATOM 169 CE2 PHE A 49 -0.631 -10.067 -10.550 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.566 -10.942 -11.069 1.00 0.00 C ATOM 0 H PHE A 49 -2.170 -11.087 -4.602 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.328 -11.947 -6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.508 -10.117 -6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.073 -9.134 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.159 -11.775 -8.221 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.127 -9.124 -8.794 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.209 -12.237 -10.632 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.081 -9.586 -11.205 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.585 -11.147 -12.129 1.00 0.00 H new ATOM 180 N LEU A 50 1.028 -10.947 -4.314 1.00 0.00 N ATOM 181 CA LEU A 50 2.206 -10.387 -3.659 1.00 0.00 C ATOM 182 C LEU A 50 3.252 -11.472 -3.404 1.00 0.00 C ATOM 183 O LEU A 50 3.025 -12.647 -3.700 1.00 0.00 O ATOM 184 CB LEU A 50 1.810 -9.718 -2.337 1.00 0.00 C ATOM 185 CG LEU A 50 1.254 -8.296 -2.467 1.00 0.00 C ATOM 186 CD1 LEU A 50 -0.263 -8.322 -2.588 1.00 0.00 C ATOM 187 CD2 LEU A 50 1.680 -7.446 -1.278 1.00 0.00 C ATOM 0 H LEU A 50 0.597 -11.723 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 50 2.640 -9.637 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.063 -10.339 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.684 -9.691 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 50 1.662 -7.850 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.638 -7.303 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.548 -8.894 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.691 -8.788 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.276 -6.439 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.301 -7.891 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.768 -7.398 -1.236 1.00 0.00 H new ATOM 199 N GLU A 51 4.398 -11.069 -2.853 1.00 0.00 N ATOM 200 CA GLU A 51 5.479 -12.004 -2.553 1.00 0.00 C ATOM 201 C GLU A 51 5.661 -12.156 -1.044 1.00 0.00 C ATOM 202 O GLU A 51 5.466 -11.200 -0.293 1.00 0.00 O ATOM 203 CB GLU A 51 6.787 -11.528 -3.191 1.00 0.00 C ATOM 204 CG GLU A 51 6.844 -11.739 -4.696 1.00 0.00 C ATOM 205 CD GLU A 51 7.797 -12.849 -5.092 1.00 0.00 C ATOM 206 OE1 GLU A 51 7.422 -14.032 -4.951 1.00 0.00 O ATOM 207 OE2 GLU A 51 8.919 -12.535 -5.539 1.00 0.00 O ATOM 0 H GLU A 51 4.600 -10.100 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 51 5.213 -12.975 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.921 -10.468 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.621 -12.055 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.845 -11.974 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.152 -10.811 -5.178 1.00 0.00 H new ATOM 214 N PRO A 52 6.043 -13.365 -0.579 1.00 0.00 N ATOM 215 CA PRO A 52 6.254 -13.637 0.850 1.00 0.00 C ATOM 216 C PRO A 52 7.221 -12.647 1.495 1.00 0.00 C ATOM 217 O PRO A 52 6.960 -12.138 2.586 1.00 0.00 O ATOM 218 CB PRO A 52 6.842 -15.051 0.866 1.00 0.00 C ATOM 219 CG PRO A 52 6.375 -15.673 -0.403 1.00 0.00 C ATOM 220 CD PRO A 52 6.302 -14.558 -1.409 1.00 0.00 C ATOM 0 HA PRO A 52 5.330 -13.542 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.931 -15.026 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.495 -15.613 1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.063 -16.451 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.401 -16.144 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.231 -14.462 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.506 -14.723 -2.135 1.00 0.00 H new ATOM 228 N GLN A 53 8.333 -12.370 0.810 1.00 0.00 N ATOM 229 CA GLN A 53 9.332 -11.430 1.316 1.00 0.00 C ATOM 230 C GLN A 53 8.752 -10.018 1.394 1.00 0.00 C ATOM 231 O GLN A 53 8.930 -9.320 2.393 1.00 0.00 O ATOM 232 CB GLN A 53 10.578 -11.435 0.423 1.00 0.00 C ATOM 233 CG GLN A 53 11.882 -11.552 1.197 1.00 0.00 C ATOM 234 CD GLN A 53 13.102 -11.276 0.336 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.133 -11.617 -0.846 1.00 0.00 O ATOM 236 NE2 GLN A 53 14.120 -10.661 0.929 1.00 0.00 N ATOM 0 H GLN A 53 8.563 -12.783 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 53 9.618 -11.747 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.507 -12.265 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.596 -10.518 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.867 -10.853 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.960 -12.554 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.053 -10.395 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.968 -10.455 0.402 1.00 0.00 H new ATOM 245 N ALA A 54 8.049 -9.609 0.334 1.00 0.00 N ATOM 246 CA ALA A 54 7.432 -8.285 0.281 1.00 0.00 C ATOM 247 C ALA A 54 6.357 -8.131 1.356 1.00 0.00 C ATOM 248 O ALA A 54 6.216 -7.062 1.950 1.00 0.00 O ATOM 249 CB ALA A 54 6.838 -8.029 -1.097 1.00 0.00 C ATOM 0 H ALA A 54 7.894 -10.178 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 54 8.211 -7.547 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.383 -7.039 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.626 -8.083 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.080 -8.782 -1.312 1.00 0.00 H new ATOM 255 N LEU A 55 5.604 -9.207 1.602 1.00 0.00 N ATOM 256 CA LEU A 55 4.542 -9.190 2.607 1.00 0.00 C ATOM 257 C LEU A 55 5.108 -8.844 3.984 1.00 0.00 C ATOM 258 O LEU A 55 4.529 -8.039 4.714 1.00 0.00 O ATOM 259 CB LEU A 55 3.832 -10.549 2.663 1.00 0.00 C ATOM 260 CG LEU A 55 2.378 -10.547 2.183 1.00 0.00 C ATOM 261 CD1 LEU A 55 2.313 -10.577 0.663 1.00 0.00 C ATOM 262 CD2 LEU A 55 1.616 -11.726 2.776 1.00 0.00 C ATOM 0 H LEU A 55 5.711 -10.099 1.119 1.00 0.00 H new ATOM 0 HA LEU A 55 3.820 -8.425 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.396 -11.260 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.858 -10.912 3.690 1.00 0.00 H new ATOM 0 HG LEU A 55 1.907 -9.626 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.271 -10.575 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.818 -9.699 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.804 -11.478 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.585 -11.707 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.089 -12.658 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.629 -11.657 3.864 1.00 0.00 H new ATOM 274 N GLU A 56 6.249 -9.446 4.326 1.00 0.00 N ATOM 275 CA GLU A 56 6.898 -9.189 5.611 1.00 0.00 C ATOM 276 C GLU A 56 7.264 -7.709 5.754 1.00 0.00 C ATOM 277 O GLU A 56 7.086 -7.120 6.822 1.00 0.00 O ATOM 278 CB GLU A 56 8.152 -10.057 5.756 1.00 0.00 C ATOM 279 CG GLU A 56 8.476 -10.421 7.197 1.00 0.00 C ATOM 280 CD GLU A 56 9.801 -11.148 7.335 1.00 0.00 C ATOM 281 OE1 GLU A 56 10.841 -10.469 7.469 1.00 0.00 O ATOM 282 OE2 GLU A 56 9.797 -12.397 7.311 1.00 0.00 O ATOM 0 H GLU A 56 6.741 -10.113 3.732 1.00 0.00 H new ATOM 0 HA GLU A 56 6.194 -9.446 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.019 -10.973 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.002 -9.529 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.500 -9.513 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.679 -11.048 7.597 1.00 0.00 H new ATOM 289 N ARG A 57 7.769 -7.112 4.671 1.00 0.00 N ATOM 290 CA ARG A 57 8.153 -5.704 4.677 1.00 0.00 C ATOM 291 C ARG A 57 6.926 -4.802 4.808 1.00 0.00 C ATOM 292 O ARG A 57 6.930 -3.850 5.591 1.00 0.00 O ATOM 293 CB ARG A 57 8.924 -5.359 3.399 1.00 0.00 C ATOM 294 CG ARG A 57 10.008 -4.315 3.603 1.00 0.00 C ATOM 295 CD ARG A 57 9.427 -2.912 3.644 1.00 0.00 C ATOM 296 NE ARG A 57 10.089 -2.073 4.644 1.00 0.00 N ATOM 297 CZ ARG A 57 10.124 -0.738 4.604 1.00 0.00 C ATOM 298 NH1 ARG A 57 9.547 -0.074 3.606 1.00 0.00 N ATOM 299 NH2 ARG A 57 10.744 -0.064 5.567 1.00 0.00 N ATOM 0 H ARG A 57 7.920 -7.585 3.780 1.00 0.00 H new ATOM 0 HA ARG A 57 8.797 -5.533 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.377 -6.267 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.222 -4.999 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.540 -4.517 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.738 -4.384 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.525 -2.450 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.361 -2.967 3.866 1.00 0.00 H new ATOM 0 HE ARG A 57 10.555 -2.538 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.072 -0.584 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.580 0.945 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.192 -0.566 6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.772 0.955 5.539 1.00 0.00 H new ATOM 313 N LEU A 58 5.878 -5.110 4.038 1.00 0.00 N ATOM 314 CA LEU A 58 4.641 -4.328 4.069 1.00 0.00 C ATOM 315 C LEU A 58 4.060 -4.267 5.483 1.00 0.00 C ATOM 316 O LEU A 58 3.512 -3.241 5.889 1.00 0.00 O ATOM 317 CB LEU A 58 3.606 -4.912 3.101 1.00 0.00 C ATOM 318 CG LEU A 58 2.481 -3.953 2.692 1.00 0.00 C ATOM 319 CD1 LEU A 58 3.050 -2.661 2.120 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.551 -4.619 1.685 1.00 0.00 C ATOM 0 H LEU A 58 5.863 -5.895 3.387 1.00 0.00 H new ATOM 0 HA LEU A 58 4.884 -3.313 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.122 -5.246 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.161 -5.795 3.560 1.00 0.00 H new ATOM 0 HG LEU A 58 1.905 -3.705 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.233 -1.997 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.671 -2.173 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.654 -2.887 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.759 -3.924 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.117 -4.899 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.111 -5.511 2.131 1.00 0.00 H new ATOM 332 N SER A 59 4.188 -5.365 6.233 1.00 0.00 N ATOM 333 CA SER A 59 3.683 -5.419 7.604 1.00 0.00 C ATOM 334 C SER A 59 4.444 -4.442 8.499 1.00 0.00 C ATOM 335 O SER A 59 3.840 -3.710 9.284 1.00 0.00 O ATOM 336 CB SER A 59 3.797 -6.839 8.168 1.00 0.00 C ATOM 337 OG SER A 59 2.633 -7.597 7.882 1.00 0.00 O ATOM 0 H SER A 59 4.635 -6.224 5.914 1.00 0.00 H new ATOM 0 HA SER A 59 2.632 -5.132 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.670 -7.333 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.950 -6.794 9.246 1.00 0.00 H new ATOM 0 HG SER A 59 2.732 -8.500 8.251 1.00 0.00 H new ATOM 343 N ARG A 60 5.773 -4.435 8.371 1.00 0.00 N ATOM 344 CA ARG A 60 6.620 -3.546 9.166 1.00 0.00 C ATOM 345 C ARG A 60 6.322 -2.078 8.861 1.00 0.00 C ATOM 346 O ARG A 60 6.196 -1.263 9.776 1.00 0.00 O ATOM 347 CB ARG A 60 8.102 -3.842 8.910 1.00 0.00 C ATOM 348 CG ARG A 60 9.009 -3.436 10.062 1.00 0.00 C ATOM 349 CD ARG A 60 9.437 -4.639 10.889 1.00 0.00 C ATOM 350 NE ARG A 60 9.580 -4.310 12.307 1.00 0.00 N ATOM 351 CZ ARG A 60 10.639 -3.681 12.829 1.00 0.00 C ATOM 352 NH1 ARG A 60 11.649 -3.296 12.050 1.00 0.00 N ATOM 353 NH2 ARG A 60 10.686 -3.434 14.134 1.00 0.00 N ATOM 0 H ARG A 60 6.285 -5.035 7.724 1.00 0.00 H new ATOM 0 HA ARG A 60 6.397 -3.730 10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.224 -4.908 8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.418 -3.319 8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.892 -2.931 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.490 -2.721 10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.703 -5.436 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.384 -5.021 10.509 1.00 0.00 H new ATOM 0 HE ARG A 60 8.824 -4.577 12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.619 -3.480 11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.453 -2.817 12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.915 -3.724 14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.493 -2.955 14.534 1.00 0.00 H new ATOM 367 N VAL A 61 6.207 -1.745 7.573 1.00 0.00 N ATOM 368 CA VAL A 61 5.920 -0.371 7.163 1.00 0.00 C ATOM 369 C VAL A 61 4.513 0.056 7.596 1.00 0.00 C ATOM 370 O VAL A 61 4.318 1.188 8.038 1.00 0.00 O ATOM 371 CB VAL A 61 6.093 -0.163 5.636 1.00 0.00 C ATOM 372 CG1 VAL A 61 5.163 -1.062 4.835 1.00 0.00 C ATOM 373 CG2 VAL A 61 5.874 1.296 5.268 1.00 0.00 C ATOM 0 H VAL A 61 6.308 -2.404 6.801 1.00 0.00 H new ATOM 0 HA VAL A 61 6.651 0.260 7.668 1.00 0.00 H new ATOM 0 HB VAL A 61 7.116 -0.440 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.315 -0.886 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.379 -2.105 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.128 -0.839 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.999 1.423 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.866 1.596 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.600 1.917 5.794 1.00 0.00 H new ATOM 383 N ALA A 62 3.541 -0.854 7.475 1.00 0.00 N ATOM 384 CA ALA A 62 2.157 -0.565 7.863 1.00 0.00 C ATOM 385 C ALA A 62 2.045 -0.207 9.348 1.00 0.00 C ATOM 386 O ALA A 62 1.156 0.550 9.741 1.00 0.00 O ATOM 387 CB ALA A 62 1.252 -1.749 7.547 1.00 0.00 C ATOM 0 H ALA A 62 3.687 -1.796 7.112 1.00 0.00 H new ATOM 0 HA ALA A 62 1.834 0.299 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.229 -1.514 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.282 -1.955 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.596 -2.626 8.095 1.00 0.00 H new ATOM 393 N LEU A 63 2.947 -0.756 10.168 1.00 0.00 N ATOM 394 CA LEU A 63 2.941 -0.490 11.607 1.00 0.00 C ATOM 395 C LEU A 63 3.194 0.987 11.892 1.00 0.00 C ATOM 396 O LEU A 63 2.534 1.585 12.743 1.00 0.00 O ATOM 397 CB LEU A 63 4.006 -1.335 12.316 1.00 0.00 C ATOM 398 CG LEU A 63 3.706 -2.835 12.397 1.00 0.00 C ATOM 399 CD1 LEU A 63 4.984 -3.624 12.650 1.00 0.00 C ATOM 400 CD2 LEU A 63 2.677 -3.117 13.483 1.00 0.00 C ATOM 0 H LEU A 63 3.688 -1.385 9.859 1.00 0.00 H new ATOM 0 HA LEU A 63 1.956 -0.758 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.957 -1.199 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.135 -0.952 13.328 1.00 0.00 H new ATOM 0 HG LEU A 63 3.291 -3.154 11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.750 -4.687 12.704 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.687 -3.448 11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.430 -3.302 13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.477 -4.188 13.525 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.063 -2.782 14.446 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.754 -2.584 13.257 1.00 0.00 H new ATOM 412 N VAL A 64 4.156 1.567 11.180 1.00 0.00 N ATOM 413 CA VAL A 64 4.502 2.972 11.361 1.00 0.00 C ATOM 414 C VAL A 64 3.667 3.869 10.447 1.00 0.00 C ATOM 415 O VAL A 64 3.060 4.838 10.904 1.00 0.00 O ATOM 416 CB VAL A 64 6.002 3.237 11.099 1.00 0.00 C ATOM 417 CG1 VAL A 64 6.513 4.323 12.030 1.00 0.00 C ATOM 418 CG2 VAL A 64 6.830 1.966 11.261 1.00 0.00 C ATOM 0 H VAL A 64 4.710 1.085 10.472 1.00 0.00 H new ATOM 0 HA VAL A 64 4.284 3.212 12.402 1.00 0.00 H new ATOM 0 HB VAL A 64 6.108 3.573 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.571 4.501 11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.953 5.242 11.858 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.382 4.006 13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.880 2.189 11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.719 1.586 12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.484 1.213 10.553 1.00 0.00 H new ATOM 428 N ARG A 65 3.636 3.535 9.157 1.00 0.00 N ATOM 429 CA ARG A 65 2.871 4.303 8.180 1.00 0.00 C ATOM 430 C ARG A 65 1.845 3.415 7.480 1.00 0.00 C ATOM 431 O ARG A 65 2.113 2.865 6.408 1.00 0.00 O ATOM 432 CB ARG A 65 3.804 4.941 7.145 1.00 0.00 C ATOM 433 CG ARG A 65 4.632 6.092 7.694 1.00 0.00 C ATOM 434 CD ARG A 65 4.069 7.439 7.264 1.00 0.00 C ATOM 435 NE ARG A 65 5.116 8.356 6.811 1.00 0.00 N ATOM 436 CZ ARG A 65 4.890 9.439 6.061 1.00 0.00 C ATOM 437 NH1 ARG A 65 3.653 9.752 5.677 1.00 0.00 N ATOM 438 NH2 ARG A 65 5.905 10.214 5.696 1.00 0.00 N ATOM 0 H ARG A 65 4.134 2.735 8.765 1.00 0.00 H new ATOM 0 HA ARG A 65 2.343 5.095 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.475 4.176 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.209 5.301 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.656 6.037 8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.661 5.999 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.347 7.290 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.530 7.889 8.098 1.00 0.00 H new ATOM 0 HE ARG A 65 6.078 8.156 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.868 9.163 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.491 10.581 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.854 9.982 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.735 11.041 5.124 1.00 0.00 H new ATOM 452 N ARG A 66 0.667 3.283 8.091 1.00 0.00 N ATOM 453 CA ARG A 66 -0.408 2.467 7.523 1.00 0.00 C ATOM 454 C ARG A 66 -0.792 2.963 6.128 1.00 0.00 C ATOM 455 O ARG A 66 -1.179 2.173 5.268 1.00 0.00 O ATOM 456 CB ARG A 66 -1.638 2.467 8.439 1.00 0.00 C ATOM 457 CG ARG A 66 -2.061 3.850 8.913 1.00 0.00 C ATOM 458 CD ARG A 66 -2.106 3.930 10.431 1.00 0.00 C ATOM 459 NE ARG A 66 -3.474 4.049 10.935 1.00 0.00 N ATOM 460 CZ ARG A 66 -4.170 5.190 10.953 1.00 0.00 C ATOM 461 NH1 ARG A 66 -3.632 6.318 10.491 1.00 0.00 N ATOM 462 NH2 ARG A 66 -5.410 5.202 11.432 1.00 0.00 N ATOM 0 H ARG A 66 0.433 3.730 8.978 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.038 1.445 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.472 2.006 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.429 1.845 9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.365 4.596 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.043 4.091 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.640 3.040 10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.521 4.786 10.766 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.925 3.208 11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.682 6.315 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.170 7.184 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.829 4.341 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.943 6.072 11.447 1.00 0.00 H new ATOM 476 N ASP A 67 -0.675 4.277 5.912 1.00 0.00 N ATOM 477 CA ASP A 67 -1.003 4.880 4.621 1.00 0.00 C ATOM 478 C ASP A 67 -0.097 4.342 3.514 1.00 0.00 C ATOM 479 O ASP A 67 -0.549 4.110 2.392 1.00 0.00 O ATOM 480 CB ASP A 67 -0.884 6.405 4.700 1.00 0.00 C ATOM 481 CG ASP A 67 -1.841 7.113 3.760 1.00 0.00 C ATOM 482 OD1 ASP A 67 -3.068 6.940 3.920 1.00 0.00 O ATOM 483 OD2 ASP A 67 -1.363 7.841 2.865 1.00 0.00 O ATOM 0 H ASP A 67 -0.355 4.942 6.616 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.032 4.614 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.079 6.729 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.138 6.699 4.462 1.00 0.00 H new ATOM 488 N ARG A 68 1.181 4.143 3.838 1.00 0.00 N ATOM 489 CA ARG A 68 2.144 3.628 2.869 1.00 0.00 C ATOM 490 C ARG A 68 1.756 2.220 2.417 1.00 0.00 C ATOM 491 O ARG A 68 1.703 1.935 1.219 1.00 0.00 O ATOM 492 CB ARG A 68 3.553 3.618 3.473 1.00 0.00 C ATOM 493 CG ARG A 68 4.508 4.603 2.815 1.00 0.00 C ATOM 494 CD ARG A 68 5.010 5.647 3.802 1.00 0.00 C ATOM 495 NE ARG A 68 6.443 5.895 3.652 1.00 0.00 N ATOM 496 CZ ARG A 68 7.398 5.125 4.178 1.00 0.00 C ATOM 497 NH1 ARG A 68 7.080 4.061 4.909 1.00 0.00 N ATOM 498 NH2 ARG A 68 8.677 5.422 3.971 1.00 0.00 N ATOM 0 H ARG A 68 1.571 4.331 4.762 1.00 0.00 H new ATOM 0 HA ARG A 68 2.137 4.284 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.484 3.847 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.967 2.613 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.356 4.062 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.004 5.099 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.463 6.578 3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.804 5.314 4.819 1.00 0.00 H new ATOM 0 HE ARG A 68 6.732 6.709 3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.100 3.828 5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.816 3.478 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.927 6.237 3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.408 4.835 4.372 1.00 0.00 H new ATOM 512 N ALA A 69 1.471 1.347 3.385 1.00 0.00 N ATOM 513 CA ALA A 69 1.074 -0.028 3.090 1.00 0.00 C ATOM 514 C ALA A 69 -0.277 -0.078 2.377 1.00 0.00 C ATOM 515 O ALA A 69 -0.507 -0.941 1.528 1.00 0.00 O ATOM 516 CB ALA A 69 1.026 -0.854 4.366 1.00 0.00 C ATOM 0 H ALA A 69 1.508 1.569 4.380 1.00 0.00 H new ATOM 0 HA ALA A 69 1.823 -0.453 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.729 -1.875 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.012 -0.862 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.303 -0.417 5.055 1.00 0.00 H new ATOM 522 N GLN A 70 -1.166 0.853 2.728 1.00 0.00 N ATOM 523 CA GLN A 70 -2.493 0.918 2.121 1.00 0.00 C ATOM 524 C GLN A 70 -2.396 1.253 0.636 1.00 0.00 C ATOM 525 O GLN A 70 -3.058 0.628 -0.188 1.00 0.00 O ATOM 526 CB GLN A 70 -3.360 1.962 2.829 1.00 0.00 C ATOM 527 CG GLN A 70 -3.995 1.457 4.115 1.00 0.00 C ATOM 528 CD GLN A 70 -5.048 2.404 4.664 1.00 0.00 C ATOM 529 OE1 GLN A 70 -6.116 1.975 5.099 1.00 0.00 O ATOM 530 NE2 GLN A 70 -4.753 3.701 4.649 1.00 0.00 N ATOM 0 H GLN A 70 -0.989 1.572 3.430 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.957 -0.062 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.749 2.836 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.147 2.289 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.449 0.483 3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.218 1.311 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.856 4.016 4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.424 4.381 5.007 1.00 0.00 H new ATOM 539 N ALA A 71 -1.564 2.240 0.301 1.00 0.00 N ATOM 540 CA ALA A 71 -1.387 2.646 -1.090 1.00 0.00 C ATOM 541 C ALA A 71 -0.781 1.521 -1.932 1.00 0.00 C ATOM 542 O ALA A 71 -1.071 1.413 -3.124 1.00 0.00 O ATOM 543 CB ALA A 71 -0.533 3.899 -1.180 1.00 0.00 C ATOM 0 H ALA A 71 -1.006 2.769 0.971 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.374 2.868 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.414 4.184 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.018 4.710 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.446 3.704 -0.743 1.00 0.00 H new ATOM 549 N VAL A 72 0.054 0.680 -1.314 1.00 0.00 N ATOM 550 CA VAL A 72 0.675 -0.432 -2.033 1.00 0.00 C ATOM 551 C VAL A 72 -0.382 -1.444 -2.475 1.00 0.00 C ATOM 552 O VAL A 72 -0.380 -1.889 -3.625 1.00 0.00 O ATOM 553 CB VAL A 72 1.744 -1.159 -1.184 1.00 0.00 C ATOM 554 CG1 VAL A 72 2.434 -2.241 -2.006 1.00 0.00 C ATOM 555 CG2 VAL A 72 2.764 -0.172 -0.635 1.00 0.00 C ATOM 0 H VAL A 72 0.312 0.748 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 72 1.168 -0.001 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 72 1.243 -1.633 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.183 -2.742 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.695 -2.968 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.918 -1.788 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.505 -0.707 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.260 0.337 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.259 0.562 -0.008 1.00 0.00 H new ATOM 565 N GLU A 73 -1.286 -1.802 -1.557 1.00 0.00 N ATOM 566 CA GLU A 73 -2.349 -2.763 -1.863 1.00 0.00 C ATOM 567 C GLU A 73 -3.344 -2.191 -2.874 1.00 0.00 C ATOM 568 O GLU A 73 -3.845 -2.919 -3.733 1.00 0.00 O ATOM 569 CB GLU A 73 -3.083 -3.207 -0.588 1.00 0.00 C ATOM 570 CG GLU A 73 -3.694 -2.069 0.223 1.00 0.00 C ATOM 571 CD GLU A 73 -4.754 -2.539 1.206 1.00 0.00 C ATOM 572 OE1 GLU A 73 -4.636 -3.673 1.720 1.00 0.00 O ATOM 573 OE2 GLU A 73 -5.704 -1.770 1.464 1.00 0.00 O ATOM 0 H GLU A 73 -1.303 -1.443 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.874 -3.637 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.874 -3.904 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.384 -3.753 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.903 -1.555 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.136 -1.342 -0.458 1.00 0.00 H new ATOM 580 N THR A 74 -3.623 -0.888 -2.776 1.00 0.00 N ATOM 581 CA THR A 74 -4.558 -0.236 -3.696 1.00 0.00 C ATOM 582 C THR A 74 -3.958 -0.116 -5.098 1.00 0.00 C ATOM 583 O THR A 74 -4.670 -0.227 -6.097 1.00 0.00 O ATOM 584 CB THR A 74 -4.971 1.149 -3.178 1.00 0.00 C ATOM 585 OG1 THR A 74 -3.947 1.728 -2.389 1.00 0.00 O ATOM 586 CG2 THR A 74 -6.237 1.120 -2.347 1.00 0.00 C ATOM 0 H THR A 74 -3.218 -0.268 -2.074 1.00 0.00 H new ATOM 0 HA THR A 74 -5.448 -0.862 -3.753 1.00 0.00 H new ATOM 0 HB THR A 74 -5.153 1.745 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.003 1.381 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.475 2.129 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.059 0.735 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.089 0.475 -1.481 1.00 0.00 H new ATOM 594 N TYR A 75 -2.645 0.103 -5.168 1.00 0.00 N ATOM 595 CA TYR A 75 -1.952 0.227 -6.444 1.00 0.00 C ATOM 596 C TYR A 75 -1.969 -1.104 -7.204 1.00 0.00 C ATOM 597 O TYR A 75 -2.272 -1.141 -8.398 1.00 0.00 O ATOM 598 CB TYR A 75 -0.513 0.700 -6.204 1.00 0.00 C ATOM 599 CG TYR A 75 0.449 0.356 -7.317 1.00 0.00 C ATOM 600 CD1 TYR A 75 0.458 1.079 -8.501 1.00 0.00 C ATOM 601 CD2 TYR A 75 1.346 -0.693 -7.180 1.00 0.00 C ATOM 602 CE1 TYR A 75 1.337 0.769 -9.517 1.00 0.00 C ATOM 603 CE2 TYR A 75 2.230 -1.010 -8.190 1.00 0.00 C ATOM 604 CZ TYR A 75 2.222 -0.278 -9.359 1.00 0.00 C ATOM 605 OH TYR A 75 3.103 -0.593 -10.370 1.00 0.00 O ATOM 0 H TYR A 75 -2.041 0.198 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.469 0.965 -7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.517 1.781 -6.064 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.149 0.260 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.235 1.898 -8.629 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.352 -1.271 -6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.333 1.343 -10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.925 -1.827 -8.066 1.00 0.00 H new ATOM 0 HH TYR A 75 3.656 -1.354 -10.096 1.00 0.00 H new ATOM 615 N LEU A 76 -1.642 -2.190 -6.501 1.00 0.00 N ATOM 616 CA LEU A 76 -1.616 -3.524 -7.104 1.00 0.00 C ATOM 617 C LEU A 76 -2.994 -3.927 -7.625 1.00 0.00 C ATOM 618 O LEU A 76 -3.119 -4.421 -8.746 1.00 0.00 O ATOM 619 CB LEU A 76 -1.125 -4.556 -6.085 1.00 0.00 C ATOM 620 CG LEU A 76 -0.814 -5.946 -6.653 1.00 0.00 C ATOM 621 CD1 LEU A 76 0.182 -5.858 -7.803 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.285 -6.859 -5.554 1.00 0.00 C ATOM 0 H LEU A 76 -1.391 -2.172 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.928 -3.493 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.226 -4.169 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.881 -4.661 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.739 -6.369 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.384 -6.858 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.235 -5.241 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.110 -5.411 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.068 -7.843 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.627 -6.434 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.035 -6.955 -4.769 1.00 0.00 H new ATOM 634 N LYS A 77 -4.025 -3.708 -6.807 1.00 0.00 N ATOM 635 CA LYS A 77 -5.393 -4.047 -7.194 1.00 0.00 C ATOM 636 C LYS A 77 -5.837 -3.240 -8.415 1.00 0.00 C ATOM 637 O LYS A 77 -6.594 -3.736 -9.247 1.00 0.00 O ATOM 638 CB LYS A 77 -6.364 -3.833 -6.026 1.00 0.00 C ATOM 639 CG LYS A 77 -6.459 -2.395 -5.542 1.00 0.00 C ATOM 640 CD LYS A 77 -7.702 -2.170 -4.694 1.00 0.00 C ATOM 641 CE LYS A 77 -8.699 -1.259 -5.394 1.00 0.00 C ATOM 642 NZ LYS A 77 -9.482 -1.982 -6.438 1.00 0.00 N ATOM 0 H LYS A 77 -3.938 -3.299 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.408 -5.103 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.356 -4.168 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.055 -4.464 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.571 -2.147 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.476 -1.722 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.174 -3.128 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.417 -1.732 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.382 -0.836 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.168 -0.425 -5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.149 -1.324 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.834 -2.364 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.010 -2.762 -5.998 1.00 0.00 H new ATOM 656 N LYS A 78 -5.355 -1.999 -8.518 1.00 0.00 N ATOM 657 CA LYS A 78 -5.701 -1.131 -9.642 1.00 0.00 C ATOM 658 C LYS A 78 -5.183 -1.706 -10.963 1.00 0.00 C ATOM 659 O LYS A 78 -5.893 -1.693 -11.966 1.00 0.00 O ATOM 660 CB LYS A 78 -5.135 0.277 -9.430 1.00 0.00 C ATOM 661 CG LYS A 78 -6.058 1.385 -9.913 1.00 0.00 C ATOM 662 CD LYS A 78 -5.273 2.598 -10.389 1.00 0.00 C ATOM 663 CE LYS A 78 -5.250 3.699 -9.337 1.00 0.00 C ATOM 664 NZ LYS A 78 -6.162 4.827 -9.681 1.00 0.00 N ATOM 0 H LYS A 78 -4.725 -1.575 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.788 -1.073 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.932 0.422 -8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.181 0.358 -9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.681 1.012 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.729 1.679 -9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.252 2.301 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.716 2.981 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.538 3.283 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.233 4.076 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.113 5.552 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.873 5.243 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.137 4.474 -9.757 1.00 0.00 H new ATOM 678 N LEU A 79 -3.948 -2.213 -10.957 1.00 0.00 N ATOM 679 CA LEU A 79 -3.349 -2.794 -12.163 1.00 0.00 C ATOM 680 C LEU A 79 -4.107 -4.047 -12.605 1.00 0.00 C ATOM 681 O LEU A 79 -4.413 -4.208 -13.786 1.00 0.00 O ATOM 682 CB LEU A 79 -1.874 -3.141 -11.924 1.00 0.00 C ATOM 683 CG LEU A 79 -1.006 -2.008 -11.364 1.00 0.00 C ATOM 684 CD1 LEU A 79 0.362 -2.539 -10.961 1.00 0.00 C ATOM 685 CD2 LEU A 79 -0.866 -0.885 -12.382 1.00 0.00 C ATOM 0 H LEU A 79 -3.345 -2.234 -10.135 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.415 -2.048 -12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.825 -3.985 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.441 -3.473 -12.867 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.496 -1.604 -10.478 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.967 -1.723 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.243 -3.307 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.857 -2.968 -11.832 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.246 -0.091 -11.965 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.399 -1.271 -13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.852 -0.487 -12.623 1.00 0.00 H new ATOM 697 N ILE A 80 -4.405 -4.931 -11.651 1.00 0.00 N ATOM 698 CA ILE A 80 -5.127 -6.170 -11.946 1.00 0.00 C ATOM 699 C ILE A 80 -6.578 -5.887 -12.341 1.00 0.00 C ATOM 700 O ILE A 80 -7.102 -6.496 -13.275 1.00 0.00 O ATOM 701 CB ILE A 80 -5.108 -7.147 -10.747 1.00 0.00 C ATOM 702 CG1 ILE A 80 -3.675 -7.370 -10.251 1.00 0.00 C ATOM 703 CG2 ILE A 80 -5.748 -8.477 -11.133 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.596 -7.827 -8.810 1.00 0.00 C ATOM 0 H ILE A 80 -4.158 -4.812 -10.669 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.610 -6.636 -12.785 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.687 -6.704 -9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.191 -8.112 -10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.113 -6.442 -10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.726 -9.153 -10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.781 -8.309 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.194 -8.921 -11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.552 -7.964 -8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.050 -7.075 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.129 -8.771 -8.698 1.00 0.00 H new ATOM 716 N ALA A 81 -7.221 -4.966 -11.622 1.00 0.00 N ATOM 717 CA ALA A 81 -8.613 -4.608 -11.894 1.00 0.00 C ATOM 718 C ALA A 81 -8.751 -3.808 -13.190 1.00 0.00 C ATOM 719 O ALA A 81 -9.725 -3.974 -13.926 1.00 0.00 O ATOM 720 CB ALA A 81 -9.196 -3.820 -10.728 1.00 0.00 C ATOM 0 H ALA A 81 -6.800 -4.454 -10.847 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.171 -5.536 -12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.232 -3.561 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.156 -4.426 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.618 -2.908 -10.580 1.00 0.00 H new ATOM 726 N THR A 82 -7.777 -2.938 -13.465 1.00 0.00 N ATOM 727 CA THR A 82 -7.804 -2.115 -14.672 1.00 0.00 C ATOM 728 C THR A 82 -7.253 -2.890 -15.872 1.00 0.00 C ATOM 729 O THR A 82 -8.020 -3.319 -16.735 1.00 0.00 O ATOM 730 CB THR A 82 -7.022 -0.811 -14.453 1.00 0.00 C ATOM 731 OG1 THR A 82 -7.596 -0.060 -13.398 1.00 0.00 O ATOM 732 CG2 THR A 82 -6.974 0.087 -15.673 1.00 0.00 C ATOM 0 H THR A 82 -6.963 -2.787 -12.869 1.00 0.00 H new ATOM 0 HA THR A 82 -8.841 -1.857 -14.888 1.00 0.00 H new ATOM 0 HB THR A 82 -6.005 -1.126 -14.219 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.206 -0.344 -12.545 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.405 0.987 -15.440 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.494 -0.443 -16.496 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.988 0.363 -15.961 1.00 0.00 H new ATOM 740 N ASN A 83 -5.928 -3.074 -15.927 1.00 0.00 N ATOM 741 CA ASN A 83 -5.301 -3.805 -17.033 1.00 0.00 C ATOM 742 C ASN A 83 -3.779 -3.841 -16.897 1.00 0.00 C ATOM 743 O ASN A 83 -3.105 -2.830 -17.103 1.00 0.00 O ATOM 744 CB ASN A 83 -5.683 -3.183 -18.390 1.00 0.00 C ATOM 745 CG ASN A 83 -5.833 -1.668 -18.340 1.00 0.00 C ATOM 746 OD1 ASN A 83 -6.895 -1.129 -18.652 1.00 0.00 O ATOM 747 ND2 ASN A 83 -4.767 -0.969 -17.955 1.00 0.00 N ATOM 0 H ASN A 83 -5.274 -2.729 -15.224 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.674 -4.828 -16.989 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.922 -3.441 -19.127 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.620 -3.622 -18.732 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.813 0.049 -17.911 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.904 -1.452 -17.704 1.00 0.00 H new ATOM 754 N ASN A 84 -3.238 -5.015 -16.569 1.00 0.00 N ATOM 755 CA ASN A 84 -1.790 -5.180 -16.428 1.00 0.00 C ATOM 756 C ASN A 84 -1.417 -6.655 -16.269 1.00 0.00 C ATOM 757 O ASN A 84 -1.057 -7.315 -17.246 1.00 0.00 O ATOM 758 CB ASN A 84 -1.261 -4.366 -15.240 1.00 0.00 C ATOM 759 CG ASN A 84 -0.505 -3.127 -15.681 1.00 0.00 C ATOM 760 OD1 ASN A 84 0.554 -3.223 -16.299 1.00 0.00 O ATOM 761 ND2 ASN A 84 -1.047 -1.955 -15.368 1.00 0.00 N ATOM 0 H ASN A 84 -3.778 -5.863 -16.396 1.00 0.00 H new ATOM 0 HA ASN A 84 -1.323 -4.806 -17.339 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.096 -4.072 -14.604 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.605 -4.993 -14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.583 -1.089 -15.642 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.927 -1.921 -14.854 1.00 0.00 H new ATOM 768 N VAL A 85 -1.510 -7.162 -15.032 1.00 0.00 N ATOM 769 CA VAL A 85 -1.188 -8.559 -14.723 1.00 0.00 C ATOM 770 C VAL A 85 0.045 -9.041 -15.500 1.00 0.00 C ATOM 771 O VAL A 85 0.047 -10.126 -16.086 1.00 0.00 O ATOM 772 CB VAL A 85 -2.389 -9.484 -15.016 1.00 0.00 C ATOM 773 CG1 VAL A 85 -2.134 -10.889 -14.488 1.00 0.00 C ATOM 774 CG2 VAL A 85 -3.674 -8.914 -14.421 1.00 0.00 C ATOM 0 H VAL A 85 -1.809 -6.618 -14.223 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.960 -8.605 -13.658 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.510 -9.542 -16.098 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.994 -11.522 -14.707 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.248 -11.303 -14.969 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.977 -10.850 -13.410 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.505 -9.584 -14.641 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.563 -8.816 -13.341 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.873 -7.934 -14.855 1.00 0.00 H new ATOM 784 N THR A 86 1.094 -8.220 -15.496 1.00 0.00 N ATOM 785 CA THR A 86 2.337 -8.550 -16.192 1.00 0.00 C ATOM 786 C THR A 86 3.487 -8.795 -15.202 1.00 0.00 C ATOM 787 O THR A 86 4.594 -9.153 -15.608 1.00 0.00 O ATOM 788 CB THR A 86 2.699 -7.430 -17.183 1.00 0.00 C ATOM 789 OG1 THR A 86 3.939 -7.692 -17.819 1.00 0.00 O ATOM 790 CG2 THR A 86 2.790 -6.054 -16.550 1.00 0.00 C ATOM 0 H THR A 86 1.108 -7.319 -15.017 1.00 0.00 H new ATOM 0 HA THR A 86 2.182 -9.475 -16.747 1.00 0.00 H new ATOM 0 HB THR A 86 1.879 -7.423 -17.901 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.439 -8.356 -17.300 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.049 -5.319 -17.312 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.829 -5.793 -16.106 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.557 -6.060 -15.776 1.00 0.00 H new ATOM 798 N HIS A 87 3.218 -8.613 -13.901 1.00 0.00 N ATOM 799 CA HIS A 87 4.233 -8.825 -12.866 1.00 0.00 C ATOM 800 C HIS A 87 3.624 -8.749 -11.463 1.00 0.00 C ATOM 801 O HIS A 87 2.477 -8.327 -11.294 1.00 0.00 O ATOM 802 CB HIS A 87 5.368 -7.797 -13.002 1.00 0.00 C ATOM 803 CG HIS A 87 4.927 -6.372 -12.849 1.00 0.00 C ATOM 804 ND1 HIS A 87 4.874 -5.483 -13.902 1.00 0.00 N ATOM 805 CD2 HIS A 87 4.517 -5.682 -11.757 1.00 0.00 C ATOM 806 CE1 HIS A 87 4.454 -4.309 -13.465 1.00 0.00 C ATOM 807 NE2 HIS A 87 4.230 -4.404 -12.168 1.00 0.00 N ATOM 0 H HIS A 87 2.308 -8.320 -13.544 1.00 0.00 H new ATOM 0 HA HIS A 87 4.641 -9.826 -13.007 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.130 -8.012 -12.253 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.838 -7.918 -13.978 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.432 -6.066 -10.751 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.317 -3.423 -14.067 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.897 -3.650 -11.568 1.00 0.00 H new ATOM 816 N LYS A 88 4.409 -9.154 -10.460 1.00 0.00 N ATOM 817 CA LYS A 88 3.967 -9.129 -9.064 1.00 0.00 C ATOM 818 C LYS A 88 4.863 -8.205 -8.235 1.00 0.00 C ATOM 819 O LYS A 88 5.988 -7.898 -8.637 1.00 0.00 O ATOM 820 CB LYS A 88 3.983 -10.545 -8.474 1.00 0.00 C ATOM 821 CG LYS A 88 2.601 -11.173 -8.351 1.00 0.00 C ATOM 822 CD LYS A 88 2.620 -12.397 -7.445 1.00 0.00 C ATOM 823 CE LYS A 88 3.005 -13.655 -8.210 1.00 0.00 C ATOM 824 NZ LYS A 88 3.722 -14.638 -7.347 1.00 0.00 N ATOM 0 H LYS A 88 5.358 -9.504 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 88 2.947 -8.746 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.608 -11.183 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.447 -10.513 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.900 -10.438 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.240 -11.457 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.326 -12.236 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.637 -12.532 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.108 -14.119 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.638 -13.385 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.966 -15.479 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.592 -14.205 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.109 -14.916 -6.554 1.00 0.00 H new ATOM 838 N ILE A 89 4.362 -7.758 -7.081 1.00 0.00 N ATOM 839 CA ILE A 89 5.133 -6.864 -6.217 1.00 0.00 C ATOM 840 C ILE A 89 6.096 -7.645 -5.325 1.00 0.00 C ATOM 841 O ILE A 89 5.676 -8.354 -4.407 1.00 0.00 O ATOM 842 CB ILE A 89 4.224 -5.984 -5.329 1.00 0.00 C ATOM 843 CG1 ILE A 89 3.163 -5.282 -6.181 1.00 0.00 C ATOM 844 CG2 ILE A 89 5.058 -4.961 -4.564 1.00 0.00 C ATOM 845 CD1 ILE A 89 2.171 -4.477 -5.370 1.00 0.00 C ATOM 0 H ILE A 89 3.436 -7.998 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 89 5.702 -6.215 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 89 3.718 -6.625 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.659 -4.622 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.623 -6.029 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.404 -4.349 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.778 -5.479 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.589 -4.323 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.450 -4.008 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.648 -5.136 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.700 -3.706 -4.809 1.00 0.00 H new ATOM 857 N THR A 90 7.389 -7.498 -5.601 1.00 0.00 N ATOM 858 CA THR A 90 8.429 -8.173 -4.829 1.00 0.00 C ATOM 859 C THR A 90 8.997 -7.233 -3.766 1.00 0.00 C ATOM 860 O THR A 90 8.607 -6.067 -3.692 1.00 0.00 O ATOM 861 CB THR A 90 9.548 -8.653 -5.762 1.00 0.00 C ATOM 862 OG1 THR A 90 10.300 -7.553 -6.250 1.00 0.00 O ATOM 863 CG2 THR A 90 9.041 -9.432 -6.961 1.00 0.00 C ATOM 0 H THR A 90 7.743 -6.914 -6.358 1.00 0.00 H new ATOM 0 HA THR A 90 7.989 -9.037 -4.330 1.00 0.00 H new ATOM 0 HB THR A 90 10.164 -9.316 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.010 -7.879 -6.842 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.885 -9.741 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.500 -10.314 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.374 -8.802 -7.549 1.00 0.00 H new ATOM 871 N GLU A 91 9.927 -7.738 -2.951 1.00 0.00 N ATOM 872 CA GLU A 91 10.551 -6.924 -1.904 1.00 0.00 C ATOM 873 C GLU A 91 11.165 -5.654 -2.496 1.00 0.00 C ATOM 874 O GLU A 91 11.062 -4.573 -1.914 1.00 0.00 O ATOM 875 CB GLU A 91 11.624 -7.727 -1.152 1.00 0.00 C ATOM 876 CG GLU A 91 12.623 -8.442 -2.058 1.00 0.00 C ATOM 877 CD GLU A 91 14.012 -7.822 -2.036 1.00 0.00 C ATOM 878 OE1 GLU A 91 14.118 -6.584 -1.888 1.00 0.00 O ATOM 879 OE2 GLU A 91 14.997 -8.577 -2.173 1.00 0.00 O ATOM 0 H GLU A 91 10.263 -8.700 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 91 9.772 -6.638 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.169 -7.053 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.132 -8.466 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.695 -9.486 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.246 -8.433 -3.081 1.00 0.00 H new ATOM 886 N ALA A 92 11.795 -5.794 -3.662 1.00 0.00 N ATOM 887 CA ALA A 92 12.417 -4.661 -4.344 1.00 0.00 C ATOM 888 C ALA A 92 11.366 -3.696 -4.895 1.00 0.00 C ATOM 889 O ALA A 92 11.536 -2.478 -4.834 1.00 0.00 O ATOM 890 CB ALA A 92 13.325 -5.151 -5.464 1.00 0.00 C ATOM 0 H ALA A 92 11.888 -6.683 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 92 13.017 -4.119 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.781 -4.296 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.106 -5.787 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.739 -5.721 -6.185 1.00 0.00 H new ATOM 896 N GLU A 93 10.283 -4.249 -5.441 1.00 0.00 N ATOM 897 CA GLU A 93 9.208 -3.439 -6.014 1.00 0.00 C ATOM 898 C GLU A 93 8.398 -2.725 -4.930 1.00 0.00 C ATOM 899 O GLU A 93 8.061 -1.549 -5.075 1.00 0.00 O ATOM 900 CB GLU A 93 8.283 -4.317 -6.862 1.00 0.00 C ATOM 901 CG GLU A 93 7.941 -3.713 -8.215 1.00 0.00 C ATOM 902 CD GLU A 93 8.104 -4.702 -9.354 1.00 0.00 C ATOM 903 OE1 GLU A 93 9.251 -4.901 -9.807 1.00 0.00 O ATOM 904 OE2 GLU A 93 7.086 -5.276 -9.792 1.00 0.00 O ATOM 0 H GLU A 93 10.127 -5.255 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 93 9.668 -2.678 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.757 -5.287 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.360 -4.497 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.913 -3.351 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.580 -2.849 -8.395 1.00 0.00 H new ATOM 911 N ILE A 94 8.083 -3.440 -3.850 1.00 0.00 N ATOM 912 CA ILE A 94 7.302 -2.871 -2.753 1.00 0.00 C ATOM 913 C ILE A 94 8.033 -1.704 -2.082 1.00 0.00 C ATOM 914 O ILE A 94 7.408 -0.708 -1.713 1.00 0.00 O ATOM 915 CB ILE A 94 6.942 -3.943 -1.697 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.961 -3.377 -0.669 1.00 0.00 C ATOM 917 CG2 ILE A 94 8.190 -4.478 -1.006 1.00 0.00 C ATOM 918 CD1 ILE A 94 5.274 -4.441 0.156 1.00 0.00 C ATOM 0 H ILE A 94 8.356 -4.413 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 94 6.379 -2.492 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 94 6.463 -4.774 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.495 -2.700 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.206 -2.785 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.904 -5.229 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.851 -4.928 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.709 -3.660 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.593 -3.969 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.712 -5.104 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.021 -5.018 0.701 1.00 0.00 H new ATOM 930 N VAL A 95 9.355 -1.821 -1.940 1.00 0.00 N ATOM 931 CA VAL A 95 10.152 -0.760 -1.327 1.00 0.00 C ATOM 932 C VAL A 95 10.163 0.486 -2.215 1.00 0.00 C ATOM 933 O VAL A 95 10.063 1.611 -1.723 1.00 0.00 O ATOM 934 CB VAL A 95 11.600 -1.230 -1.035 1.00 0.00 C ATOM 935 CG1 VAL A 95 12.554 -0.883 -2.171 1.00 0.00 C ATOM 936 CG2 VAL A 95 12.094 -0.642 0.279 1.00 0.00 C ATOM 0 H VAL A 95 9.892 -2.635 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 95 9.687 -0.508 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 95 11.580 -2.317 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 95 13.557 -1.231 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.218 -1.367 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 95 12.570 0.197 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 95 13.112 -0.982 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 95 12.080 0.446 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.444 -0.969 1.091 1.00 0.00 H new ATOM 946 N SER A 96 10.278 0.270 -3.526 1.00 0.00 N ATOM 947 CA SER A 96 10.293 1.368 -4.489 1.00 0.00 C ATOM 948 C SER A 96 8.948 2.098 -4.505 1.00 0.00 C ATOM 949 O SER A 96 8.906 3.330 -4.484 1.00 0.00 O ATOM 950 CB SER A 96 10.630 0.846 -5.893 1.00 0.00 C ATOM 951 OG SER A 96 10.402 1.837 -6.883 1.00 0.00 O ATOM 0 H SER A 96 10.362 -0.657 -3.944 1.00 0.00 H new ATOM 0 HA SER A 96 11.064 2.076 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.673 0.531 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.024 -0.034 -6.111 1.00 0.00 H new ATOM 0 HG SER A 96 10.627 1.475 -7.766 1.00 0.00 H new ATOM 957 N ILE A 97 7.853 1.335 -4.532 1.00 0.00 N ATOM 958 CA ILE A 97 6.513 1.924 -4.540 1.00 0.00 C ATOM 959 C ILE A 97 6.245 2.684 -3.241 1.00 0.00 C ATOM 960 O ILE A 97 5.665 3.770 -3.260 1.00 0.00 O ATOM 961 CB ILE A 97 5.409 0.858 -4.745 1.00 0.00 C ATOM 962 CG1 ILE A 97 5.676 0.035 -6.010 1.00 0.00 C ATOM 963 CG2 ILE A 97 4.040 1.523 -4.827 1.00 0.00 C ATOM 964 CD1 ILE A 97 5.218 -1.404 -5.905 1.00 0.00 C ATOM 0 H ILE A 97 7.867 0.315 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 97 6.481 2.616 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 97 5.422 0.184 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.172 0.507 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.744 0.053 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.274 0.761 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.843 2.065 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.023 2.218 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.439 -1.925 -6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.740 -1.893 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.144 -1.431 -5.720 1.00 0.00 H new ATOM 976 N LEU A 98 6.678 2.111 -2.115 1.00 0.00 N ATOM 977 CA LEU A 98 6.490 2.741 -0.808 1.00 0.00 C ATOM 978 C LEU A 98 7.174 4.110 -0.753 1.00 0.00 C ATOM 979 O LEU A 98 6.624 5.060 -0.193 1.00 0.00 O ATOM 980 CB LEU A 98 7.035 1.840 0.304 1.00 0.00 C ATOM 981 CG LEU A 98 6.123 0.678 0.709 1.00 0.00 C ATOM 982 CD1 LEU A 98 6.893 -0.345 1.529 1.00 0.00 C ATOM 983 CD2 LEU A 98 4.919 1.191 1.486 1.00 0.00 C ATOM 0 H LEU A 98 7.160 1.213 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 98 5.420 2.885 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.994 1.433 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.228 2.453 1.184 1.00 0.00 H new ATOM 0 HG LEU A 98 5.764 0.190 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.228 -1.163 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.722 -0.736 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.282 0.129 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.282 0.352 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.258 1.704 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.353 1.885 0.864 1.00 0.00 H new ATOM 995 N ASN A 99 8.370 4.205 -1.340 1.00 0.00 N ATOM 996 CA ASN A 99 9.121 5.462 -1.360 1.00 0.00 C ATOM 997 C ASN A 99 8.376 6.531 -2.159 1.00 0.00 C ATOM 998 O ASN A 99 8.371 7.705 -1.785 1.00 0.00 O ATOM 999 CB ASN A 99 10.519 5.250 -1.953 1.00 0.00 C ATOM 1000 CG ASN A 99 11.602 5.932 -1.135 1.00 0.00 C ATOM 1001 OD1 ASN A 99 11.513 7.124 -0.840 1.00 0.00 O ATOM 1002 ND2 ASN A 99 12.632 5.180 -0.762 1.00 0.00 N ATOM 0 H ASN A 99 8.838 3.428 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 99 9.223 5.804 -0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.729 4.182 -2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.541 5.634 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.387 5.587 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.667 4.196 -1.027 1.00 0.00 H new ATOM 1009 N GLY A 100 7.730 6.112 -3.249 1.00 0.00 N ATOM 1010 CA GLY A 100 6.972 7.040 -4.069 1.00 0.00 C ATOM 1011 C GLY A 100 5.678 7.442 -3.398 1.00 0.00 C ATOM 1012 O GLY A 100 5.269 8.603 -3.460 1.00 0.00 O ATOM 0 H GLY A 100 7.720 5.146 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 100 7.573 7.928 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.756 6.582 -5.034 1.00 0.00 H new ATOM 1016 N ILE A 101 5.047 6.473 -2.735 1.00 0.00 N ATOM 1017 CA ILE A 101 3.801 6.702 -2.017 1.00 0.00 C ATOM 1018 C ILE A 101 3.970 7.825 -0.988 1.00 0.00 C ATOM 1019 O ILE A 101 3.096 8.682 -0.842 1.00 0.00 O ATOM 1020 CB ILE A 101 3.332 5.405 -1.313 1.00 0.00 C ATOM 1021 CG1 ILE A 101 2.680 4.460 -2.327 1.00 0.00 C ATOM 1022 CG2 ILE A 101 2.373 5.713 -0.175 1.00 0.00 C ATOM 1023 CD1 ILE A 101 2.491 3.047 -1.813 1.00 0.00 C ATOM 0 H ILE A 101 5.386 5.512 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 101 3.043 7.002 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 101 4.207 4.914 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.710 4.865 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.293 4.430 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.061 4.783 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.871 6.346 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.498 6.231 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.024 2.438 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.460 2.622 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.852 3.063 -0.930 1.00 0.00 H new ATOM 1035 N ALA A 102 5.107 7.816 -0.289 1.00 0.00 N ATOM 1036 CA ALA A 102 5.403 8.835 0.716 1.00 0.00 C ATOM 1037 C ALA A 102 5.538 10.215 0.078 1.00 0.00 C ATOM 1038 O ALA A 102 5.007 11.198 0.595 1.00 0.00 O ATOM 1039 CB ALA A 102 6.673 8.484 1.476 1.00 0.00 C ATOM 0 H ALA A 102 5.837 7.113 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 102 4.569 8.863 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.877 9.254 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.545 7.523 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.509 8.422 0.779 1.00 0.00 H new ATOM 1045 N LYS A 103 6.250 10.281 -1.050 1.00 0.00 N ATOM 1046 CA LYS A 103 6.452 11.545 -1.761 1.00 0.00 C ATOM 1047 C LYS A 103 5.114 12.184 -2.144 1.00 0.00 C ATOM 1048 O LYS A 103 4.996 13.409 -2.180 1.00 0.00 O ATOM 1049 CB LYS A 103 7.303 11.327 -3.015 1.00 0.00 C ATOM 1050 CG LYS A 103 7.883 12.612 -3.591 1.00 0.00 C ATOM 1051 CD LYS A 103 8.428 12.403 -4.996 1.00 0.00 C ATOM 1052 CE LYS A 103 8.095 13.575 -5.908 1.00 0.00 C ATOM 1053 NZ LYS A 103 7.621 13.123 -7.247 1.00 0.00 N ATOM 0 H LYS A 103 6.695 9.475 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 103 6.977 12.223 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.119 10.645 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.694 10.840 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.112 13.382 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.680 12.975 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.509 12.272 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.013 11.486 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.327 14.191 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.978 14.203 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.405 13.952 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.363 12.556 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.764 12.545 -7.135 1.00 0.00 H new ATOM 1067 N GLN A 104 4.110 11.349 -2.429 1.00 0.00 N ATOM 1068 CA GLN A 104 2.783 11.838 -2.807 1.00 0.00 C ATOM 1069 C GLN A 104 2.169 12.703 -1.700 1.00 0.00 C ATOM 1070 O GLN A 104 1.449 13.661 -1.986 1.00 0.00 O ATOM 1071 CB GLN A 104 1.851 10.665 -3.129 1.00 0.00 C ATOM 1072 CG GLN A 104 2.279 9.855 -4.346 1.00 0.00 C ATOM 1073 CD GLN A 104 1.099 9.359 -5.165 1.00 0.00 C ATOM 1074 OE1 GLN A 104 0.253 10.144 -5.593 1.00 0.00 O ATOM 1075 NE2 GLN A 104 1.035 8.050 -5.389 1.00 0.00 N ATOM 0 H GLN A 104 4.192 10.333 -2.405 1.00 0.00 H new ATOM 0 HA GLN A 104 2.901 12.456 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.802 10.004 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.844 11.048 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.922 10.468 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.873 9.002 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.757 7.433 -5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.264 7.663 -5.933 1.00 0.00 H new