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 Set 1.1: A 83 ASN : amide:sc= -0.294 X(o=-1.2,f=-1.3) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.942 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 70 GLN : amide:sc= -0.0739 K(o=1.1,f=0.33) USER MOD Set 2.2: A 74 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 59 SER OG : rot 84:sc= 0.33 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.047 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 -80:sc= 0.891 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.25) 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 42:sc= 0.228 USER MOD Single : A 99 ASN : amide:sc= 0.0987 X(o=0.099,f=-0.0018) 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) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -4.933 -11.064 -3.534 1.00 0.00 N ATOM 118 CA ILE A 46 -3.927 -10.012 -3.396 1.00 0.00 C ATOM 119 C ILE A 46 -2.747 -10.464 -2.529 1.00 0.00 C ATOM 120 O ILE A 46 -1.637 -9.951 -2.671 1.00 0.00 O ATOM 121 CB ILE A 46 -4.533 -8.719 -2.802 1.00 0.00 C ATOM 122 CG1 ILE A 46 -5.175 -8.987 -1.434 1.00 0.00 C ATOM 123 CG2 ILE A 46 -5.557 -8.129 -3.763 1.00 0.00 C ATOM 124 CD1 ILE A 46 -5.657 -7.733 -0.736 1.00 0.00 C ATOM 0 HA ILE A 46 -3.563 -9.802 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.727 -8.000 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.017 -9.667 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.452 -9.493 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.977 -7.219 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.073 -7.893 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.355 -8.852 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.099 -7.998 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.815 -7.060 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.404 -7.237 -1.355 1.00 0.00 H new ATOM 136 N ALA A 47 -2.990 -11.425 -1.636 1.00 0.00 N ATOM 137 CA ALA A 47 -1.943 -11.940 -0.754 1.00 0.00 C ATOM 138 C ALA A 47 -0.848 -12.648 -1.549 1.00 0.00 C ATOM 139 O ALA A 47 0.335 -12.533 -1.228 1.00 0.00 O ATOM 140 CB ALA A 47 -2.539 -12.884 0.281 1.00 0.00 C ATOM 0 H ALA A 47 -3.902 -11.862 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.491 -11.092 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.748 -13.259 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.276 -12.349 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.021 -13.721 -0.225 1.00 0.00 H new ATOM 146 N ASN A 48 -1.251 -13.373 -2.592 1.00 0.00 N ATOM 147 CA ASN A 48 -0.303 -14.093 -3.441 1.00 0.00 C ATOM 148 C ASN A 48 0.385 -13.149 -4.433 1.00 0.00 C ATOM 149 O ASN A 48 1.398 -13.504 -5.036 1.00 0.00 O ATOM 150 CB ASN A 48 -1.018 -15.215 -4.200 1.00 0.00 C ATOM 151 CG ASN A 48 -0.204 -16.496 -4.239 1.00 0.00 C ATOM 152 OD1 ASN A 48 0.928 -16.509 -4.721 1.00 0.00 O ATOM 153 ND2 ASN A 48 -0.777 -17.583 -3.732 1.00 0.00 N ATOM 0 H ASN A 48 -2.227 -13.477 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 48 0.462 -14.525 -2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.980 -15.413 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.224 -14.887 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.276 -18.471 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.718 -17.529 -3.342 1.00 0.00 H new ATOM 160 N PHE A 49 -0.171 -11.946 -4.597 1.00 0.00 N ATOM 161 CA PHE A 49 0.386 -10.956 -5.514 1.00 0.00 C ATOM 162 C PHE A 49 1.372 -10.011 -4.807 1.00 0.00 C ATOM 163 O PHE A 49 1.621 -8.899 -5.281 1.00 0.00 O ATOM 164 CB PHE A 49 -0.750 -10.154 -6.154 1.00 0.00 C ATOM 165 CG PHE A 49 -0.796 -10.264 -7.653 1.00 0.00 C ATOM 166 CD1 PHE A 49 -0.970 -11.495 -8.267 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.668 -9.136 -8.446 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.014 -11.597 -9.644 1.00 0.00 C ATOM 169 CE2 PHE A 49 -0.712 -9.233 -9.822 1.00 0.00 C ATOM 170 CZ PHE A 49 -0.885 -10.464 -10.422 1.00 0.00 C ATOM 0 H PHE A 49 -1.009 -11.636 -4.104 1.00 0.00 H new ATOM 0 HA PHE A 49 0.942 -11.487 -6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.700 -10.496 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.643 -9.105 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.072 -12.384 -7.662 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.532 -8.170 -7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.149 -12.561 -10.111 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.611 -8.346 -10.429 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.919 -10.541 -11.499 1.00 0.00 H new ATOM 180 N LEU A 50 1.940 -10.461 -3.684 1.00 0.00 N ATOM 181 CA LEU A 50 2.904 -9.660 -2.930 1.00 0.00 C ATOM 182 C LEU A 50 3.995 -10.551 -2.338 1.00 0.00 C ATOM 183 O LEU A 50 3.701 -11.598 -1.758 1.00 0.00 O ATOM 184 CB LEU A 50 2.201 -8.883 -1.811 1.00 0.00 C ATOM 185 CG LEU A 50 1.541 -7.568 -2.242 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.061 -7.570 -1.891 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.240 -6.380 -1.595 1.00 0.00 C ATOM 0 H LEU A 50 1.747 -11.377 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 50 3.364 -8.949 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.439 -9.525 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.929 -8.666 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 50 1.637 -7.477 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.389 -6.628 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.433 -8.396 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.057 -7.687 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.757 -5.456 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.177 -6.467 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.287 -6.365 -1.898 1.00 0.00 H new ATOM 199 N GLU A 51 5.254 -10.130 -2.488 1.00 0.00 N ATOM 200 CA GLU A 51 6.390 -10.895 -1.966 1.00 0.00 C ATOM 201 C GLU A 51 6.478 -10.772 -0.442 1.00 0.00 C ATOM 202 O GLU A 51 5.908 -9.851 0.145 1.00 0.00 O ATOM 203 CB GLU A 51 7.705 -10.426 -2.609 1.00 0.00 C ATOM 204 CG GLU A 51 7.877 -8.910 -2.644 1.00 0.00 C ATOM 205 CD GLU A 51 9.305 -8.460 -2.376 1.00 0.00 C ATOM 206 OE1 GLU A 51 10.244 -9.209 -2.718 1.00 0.00 O ATOM 207 OE2 GLU A 51 9.482 -7.352 -1.826 1.00 0.00 O ATOM 0 H GLU A 51 5.512 -9.266 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 51 6.231 -11.943 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.540 -10.863 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.756 -10.810 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.563 -8.538 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.216 -8.459 -1.903 1.00 0.00 H new ATOM 214 N PRO A 52 7.200 -11.704 0.221 1.00 0.00 N ATOM 215 CA PRO A 52 7.361 -11.694 1.682 1.00 0.00 C ATOM 216 C PRO A 52 7.882 -10.357 2.204 1.00 0.00 C ATOM 217 O PRO A 52 7.372 -9.830 3.194 1.00 0.00 O ATOM 218 CB PRO A 52 8.386 -12.804 1.940 1.00 0.00 C ATOM 219 CG PRO A 52 8.262 -13.713 0.769 1.00 0.00 C ATOM 220 CD PRO A 52 7.914 -12.836 -0.401 1.00 0.00 C ATOM 0 HA PRO A 52 6.410 -11.847 2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.395 -12.400 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.176 -13.328 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.194 -14.249 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.490 -14.463 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.805 -12.505 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.287 -13.359 -1.123 1.00 0.00 H new ATOM 228 N GLN A 53 8.896 -9.809 1.528 1.00 0.00 N ATOM 229 CA GLN A 53 9.478 -8.527 1.925 1.00 0.00 C ATOM 230 C GLN A 53 8.441 -7.411 1.829 1.00 0.00 C ATOM 231 O GLN A 53 8.323 -6.585 2.734 1.00 0.00 O ATOM 232 CB GLN A 53 10.695 -8.194 1.057 1.00 0.00 C ATOM 233 CG GLN A 53 12.015 -8.625 1.676 1.00 0.00 C ATOM 234 CD GLN A 53 12.364 -10.066 1.356 1.00 0.00 C ATOM 235 OE1 GLN A 53 11.684 -10.994 1.795 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.427 -10.263 0.584 1.00 0.00 N ATOM 0 H GLN A 53 9.328 -10.232 0.707 1.00 0.00 H new ATOM 0 HA GLN A 53 9.803 -8.610 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.583 -8.677 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.720 -7.119 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.811 -7.973 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.964 -8.499 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.963 -9.466 0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.707 -11.211 0.334 1.00 0.00 H new ATOM 245 N ALA A 54 7.683 -7.400 0.732 1.00 0.00 N ATOM 246 CA ALA A 54 6.645 -6.393 0.527 1.00 0.00 C ATOM 247 C ALA A 54 5.554 -6.509 1.590 1.00 0.00 C ATOM 248 O ALA A 54 5.031 -5.500 2.065 1.00 0.00 O ATOM 249 CB ALA A 54 6.041 -6.527 -0.861 1.00 0.00 C ATOM 0 H ALA A 54 7.769 -8.077 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 54 7.107 -5.410 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.269 -5.769 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.820 -6.391 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.600 -7.518 -0.972 1.00 0.00 H new ATOM 255 N LEU A 55 5.218 -7.748 1.962 1.00 0.00 N ATOM 256 CA LEU A 55 4.193 -7.999 2.975 1.00 0.00 C ATOM 257 C LEU A 55 4.593 -7.392 4.323 1.00 0.00 C ATOM 258 O LEU A 55 3.741 -6.898 5.063 1.00 0.00 O ATOM 259 CB LEU A 55 3.947 -9.505 3.130 1.00 0.00 C ATOM 260 CG LEU A 55 2.868 -10.084 2.209 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.304 -11.431 1.650 1.00 0.00 C ATOM 262 CD2 LEU A 55 1.545 -10.215 2.953 1.00 0.00 C ATOM 0 H LEU A 55 5.642 -8.592 1.576 1.00 0.00 H new ATOM 0 HA LEU A 55 3.271 -7.523 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.883 -10.032 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.668 -9.708 4.164 1.00 0.00 H new ATOM 0 HG LEU A 55 2.727 -9.398 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.524 -11.825 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.225 -11.307 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.477 -12.127 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.790 -10.628 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.673 -10.878 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.224 -9.233 3.300 1.00 0.00 H new ATOM 274 N GLU A 56 5.891 -7.431 4.635 1.00 0.00 N ATOM 275 CA GLU A 56 6.395 -6.881 5.894 1.00 0.00 C ATOM 276 C GLU A 56 6.203 -5.365 5.950 1.00 0.00 C ATOM 277 O GLU A 56 5.709 -4.831 6.944 1.00 0.00 O ATOM 278 CB GLU A 56 7.876 -7.230 6.078 1.00 0.00 C ATOM 279 CG GLU A 56 8.201 -7.782 7.460 1.00 0.00 C ATOM 280 CD GLU A 56 9.387 -8.732 7.470 1.00 0.00 C ATOM 281 OE1 GLU A 56 9.607 -9.430 6.456 1.00 0.00 O ATOM 282 OE2 GLU A 56 10.094 -8.782 8.498 1.00 0.00 O ATOM 0 H GLU A 56 6.609 -7.836 4.035 1.00 0.00 H new ATOM 0 HA GLU A 56 5.822 -7.329 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.165 -7.963 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.476 -6.338 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.405 -6.951 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.326 -8.302 7.850 1.00 0.00 H new ATOM 289 N ARG A 57 6.592 -4.676 4.875 1.00 0.00 N ATOM 290 CA ARG A 57 6.457 -3.225 4.805 1.00 0.00 C ATOM 291 C ARG A 57 4.995 -2.806 4.931 1.00 0.00 C ATOM 292 O ARG A 57 4.668 -1.895 5.691 1.00 0.00 O ATOM 293 CB ARG A 57 7.035 -2.701 3.487 1.00 0.00 C ATOM 294 CG ARG A 57 7.236 -1.195 3.463 1.00 0.00 C ATOM 295 CD ARG A 57 8.292 -0.762 4.465 1.00 0.00 C ATOM 296 NE ARG A 57 9.644 -0.849 3.912 1.00 0.00 N ATOM 297 CZ ARG A 57 10.697 -0.186 4.399 1.00 0.00 C ATOM 298 NH1 ARG A 57 10.565 0.608 5.460 1.00 0.00 N ATOM 299 NH2 ARG A 57 11.888 -0.319 3.826 1.00 0.00 N ATOM 0 H ARG A 57 7.002 -5.102 4.044 1.00 0.00 H new ATOM 0 HA ARG A 57 7.014 -2.794 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.992 -3.189 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.369 -2.983 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.532 -0.882 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.293 -0.697 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.095 0.263 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.224 -1.387 5.355 1.00 0.00 H new ATOM 0 HE ARG A 57 9.792 -1.454 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.655 0.714 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.374 1.110 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.999 -0.927 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.692 0.187 4.197 1.00 0.00 H new ATOM 313 N LEU A 58 4.122 -3.482 4.183 1.00 0.00 N ATOM 314 CA LEU A 58 2.692 -3.182 4.210 1.00 0.00 C ATOM 315 C LEU A 58 2.105 -3.415 5.604 1.00 0.00 C ATOM 316 O LEU A 58 1.269 -2.638 6.066 1.00 0.00 O ATOM 317 CB LEU A 58 1.946 -4.029 3.173 1.00 0.00 C ATOM 318 CG LEU A 58 0.697 -3.372 2.575 1.00 0.00 C ATOM 319 CD1 LEU A 58 1.033 -2.005 1.992 1.00 0.00 C ATOM 320 CD2 LEU A 58 0.078 -4.269 1.512 1.00 0.00 C ATOM 0 H LEU A 58 4.381 -4.240 3.552 1.00 0.00 H new ATOM 0 HA LEU A 58 2.567 -2.128 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.633 -4.272 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.655 -4.971 3.637 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.031 -3.232 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.132 -1.557 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.427 -1.361 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.781 -2.118 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.807 -3.786 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.802 -4.442 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.204 -5.222 1.959 1.00 0.00 H new ATOM 332 N SER A 59 2.552 -4.480 6.274 1.00 0.00 N ATOM 333 CA SER A 59 2.072 -4.796 7.620 1.00 0.00 C ATOM 334 C SER A 59 2.494 -3.714 8.613 1.00 0.00 C ATOM 335 O SER A 59 1.694 -3.275 9.441 1.00 0.00 O ATOM 336 CB SER A 59 2.602 -6.158 8.077 1.00 0.00 C ATOM 337 OG SER A 59 1.930 -7.216 7.413 1.00 0.00 O ATOM 0 H SER A 59 3.243 -5.135 5.908 1.00 0.00 H new ATOM 0 HA SER A 59 0.983 -4.836 7.587 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.672 -6.221 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.472 -6.260 9.154 1.00 0.00 H new ATOM 0 HG SER A 59 2.346 -7.370 6.539 1.00 0.00 H new ATOM 343 N ARG A 60 3.755 -3.288 8.521 1.00 0.00 N ATOM 344 CA ARG A 60 4.287 -2.255 9.409 1.00 0.00 C ATOM 345 C ARG A 60 3.607 -0.909 9.162 1.00 0.00 C ATOM 346 O ARG A 60 3.226 -0.220 10.109 1.00 0.00 O ATOM 347 CB ARG A 60 5.803 -2.119 9.227 1.00 0.00 C ATOM 348 CG ARG A 60 6.463 -1.222 10.266 1.00 0.00 C ATOM 349 CD ARG A 60 7.894 -1.650 10.556 1.00 0.00 C ATOM 350 NE ARG A 60 7.966 -3.006 11.104 1.00 0.00 N ATOM 351 CZ ARG A 60 9.089 -3.567 11.559 1.00 0.00 C ATOM 352 NH1 ARG A 60 10.232 -2.887 11.557 1.00 0.00 N ATOM 353 NH2 ARG A 60 9.067 -4.811 12.023 1.00 0.00 N ATOM 0 H ARG A 60 4.426 -3.643 7.840 1.00 0.00 H new ATOM 0 HA ARG A 60 4.079 -2.559 10.435 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.256 -3.109 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.007 -1.721 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.457 -0.191 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.883 -1.246 11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.480 -1.599 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.345 -0.951 11.260 1.00 0.00 H new ATOM 0 HE ARG A 60 7.107 -3.555 11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.255 -1.930 11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.085 -3.323 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.193 -5.337 12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.924 -5.241 12.371 1.00 0.00 H new ATOM 367 N VAL A 61 3.458 -0.537 7.889 1.00 0.00 N ATOM 368 CA VAL A 61 2.822 0.731 7.535 1.00 0.00 C ATOM 369 C VAL A 61 1.332 0.725 7.890 1.00 0.00 C ATOM 370 O VAL A 61 0.810 1.722 8.384 1.00 0.00 O ATOM 371 CB VAL A 61 3.012 1.087 6.040 1.00 0.00 C ATOM 372 CG1 VAL A 61 2.336 0.072 5.133 1.00 0.00 C ATOM 373 CG2 VAL A 61 2.502 2.493 5.754 1.00 0.00 C ATOM 0 H VAL A 61 3.767 -1.093 7.091 1.00 0.00 H new ATOM 0 HA VAL A 61 3.320 1.501 8.125 1.00 0.00 H new ATOM 0 HB VAL A 61 4.080 1.057 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.491 0.355 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.764 -0.915 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.268 0.047 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.645 2.724 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.441 2.552 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.055 3.211 6.360 1.00 0.00 H new ATOM 383 N ALA A 62 0.656 -0.402 7.645 1.00 0.00 N ATOM 384 CA ALA A 62 -0.772 -0.526 7.954 1.00 0.00 C ATOM 385 C ALA A 62 -1.049 -0.231 9.430 1.00 0.00 C ATOM 386 O ALA A 62 -2.100 0.314 9.773 1.00 0.00 O ATOM 387 CB ALA A 62 -1.280 -1.916 7.600 1.00 0.00 C ATOM 0 H ALA A 62 1.073 -1.238 7.235 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.303 0.210 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.342 -1.987 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.133 -2.097 6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.730 -2.662 8.174 1.00 0.00 H new ATOM 393 N LEU A 63 -0.101 -0.595 10.298 1.00 0.00 N ATOM 394 CA LEU A 63 -0.243 -0.370 11.738 1.00 0.00 C ATOM 395 C LEU A 63 -0.192 1.120 12.075 1.00 0.00 C ATOM 396 O LEU A 63 -0.856 1.574 13.007 1.00 0.00 O ATOM 397 CB LEU A 63 0.857 -1.110 12.508 1.00 0.00 C ATOM 398 CG LEU A 63 0.688 -2.630 12.595 1.00 0.00 C ATOM 399 CD1 LEU A 63 2.045 -3.322 12.576 1.00 0.00 C ATOM 400 CD2 LEU A 63 -0.088 -3.010 13.849 1.00 0.00 C ATOM 0 H LEU A 63 0.773 -1.047 10.028 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.216 -0.759 12.037 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.816 -0.894 12.036 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.902 -0.708 13.520 1.00 0.00 H new ATOM 0 HG LEU A 63 0.121 -2.963 11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.904 -4.401 12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.565 -3.077 11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.638 -2.984 13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.198 -4.093 13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.452 -2.663 14.730 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.074 -2.546 13.822 1.00 0.00 H new ATOM 412 N VAL A 64 0.601 1.876 11.317 1.00 0.00 N ATOM 413 CA VAL A 64 0.736 3.313 11.547 1.00 0.00 C ATOM 414 C VAL A 64 -0.272 4.100 10.710 1.00 0.00 C ATOM 415 O VAL A 64 -1.084 4.851 11.250 1.00 0.00 O ATOM 416 CB VAL A 64 2.160 3.828 11.233 1.00 0.00 C ATOM 417 CG1 VAL A 64 2.587 4.858 12.265 1.00 0.00 C ATOM 418 CG2 VAL A 64 3.168 2.686 11.168 1.00 0.00 C ATOM 0 H VAL A 64 1.158 1.519 10.541 1.00 0.00 H new ATOM 0 HA VAL A 64 0.539 3.471 12.607 1.00 0.00 H new ATOM 0 HB VAL A 64 2.135 4.301 10.251 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.591 5.212 12.032 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.893 5.698 12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.583 4.404 13.256 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.157 3.086 10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.193 2.168 12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.875 1.986 10.385 1.00 0.00 H new ATOM 428 N ARG A 65 -0.215 3.919 9.392 1.00 0.00 N ATOM 429 CA ARG A 65 -1.124 4.606 8.480 1.00 0.00 C ATOM 430 C ARG A 65 -1.849 3.598 7.592 1.00 0.00 C ATOM 431 O ARG A 65 -1.408 3.308 6.477 1.00 0.00 O ATOM 432 CB ARG A 65 -0.361 5.615 7.616 1.00 0.00 C ATOM 433 CG ARG A 65 0.409 6.654 8.418 1.00 0.00 C ATOM 434 CD ARG A 65 0.048 8.069 7.997 1.00 0.00 C ATOM 435 NE ARG A 65 1.215 8.949 7.964 1.00 0.00 N ATOM 436 CZ ARG A 65 1.764 9.506 9.049 1.00 0.00 C ATOM 437 NH1 ARG A 65 1.259 9.269 10.258 1.00 0.00 N ATOM 438 NH2 ARG A 65 2.822 10.300 8.923 1.00 0.00 N ATOM 0 H ARG A 65 0.453 3.301 8.932 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.861 5.145 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.336 5.076 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.067 6.126 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.197 6.525 9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.479 6.497 8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.416 8.046 7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.691 8.474 8.688 1.00 0.00 H new ATOM 0 HE ARG A 65 1.637 9.151 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.448 8.659 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.683 9.697 11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.214 10.484 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.242 10.725 9.750 1.00 0.00 H new ATOM 452 N ARG A 66 -2.963 3.067 8.095 1.00 0.00 N ATOM 453 CA ARG A 66 -3.754 2.089 7.350 1.00 0.00 C ATOM 454 C ARG A 66 -4.211 2.656 6.004 1.00 0.00 C ATOM 455 O ARG A 66 -4.348 1.916 5.032 1.00 0.00 O ATOM 456 CB ARG A 66 -4.968 1.634 8.169 1.00 0.00 C ATOM 457 CG ARG A 66 -5.763 0.515 7.510 1.00 0.00 C ATOM 458 CD ARG A 66 -6.867 -0.005 8.419 1.00 0.00 C ATOM 459 NE ARG A 66 -7.209 -1.398 8.127 1.00 0.00 N ATOM 460 CZ ARG A 66 -8.346 -1.988 8.511 1.00 0.00 C ATOM 461 NH1 ARG A 66 -9.255 -1.311 9.208 1.00 0.00 N ATOM 462 NH2 ARG A 66 -8.572 -3.259 8.198 1.00 0.00 N ATOM 0 H ARG A 66 -3.338 3.298 9.015 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.116 1.226 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.629 1.299 9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.626 2.488 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.199 0.878 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.092 -0.303 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.550 0.080 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.754 0.618 8.304 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.538 -1.954 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.087 -0.335 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.120 -1.768 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.879 -3.784 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.439 -3.710 8.490 1.00 0.00 H new ATOM 476 N ASP A 67 -4.445 3.970 5.956 1.00 0.00 N ATOM 477 CA ASP A 67 -4.888 4.630 4.728 1.00 0.00 C ATOM 478 C ASP A 67 -3.909 4.382 3.581 1.00 0.00 C ATOM 479 O ASP A 67 -4.315 4.054 2.466 1.00 0.00 O ATOM 480 CB ASP A 67 -5.037 6.137 4.956 1.00 0.00 C ATOM 481 CG ASP A 67 -6.435 6.531 5.394 1.00 0.00 C ATOM 482 OD1 ASP A 67 -7.411 6.028 4.799 1.00 0.00 O ATOM 483 OD2 ASP A 67 -6.552 7.349 6.330 1.00 0.00 O ATOM 0 H ASP A 67 -4.335 4.596 6.753 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.855 4.207 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.321 6.458 5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.787 6.665 4.036 1.00 0.00 H new ATOM 488 N ARG A 68 -2.620 4.544 3.863 1.00 0.00 N ATOM 489 CA ARG A 68 -1.584 4.336 2.859 1.00 0.00 C ATOM 490 C ARG A 68 -1.510 2.869 2.437 1.00 0.00 C ATOM 491 O ARG A 68 -1.488 2.559 1.247 1.00 0.00 O ATOM 492 CB ARG A 68 -0.228 4.804 3.392 1.00 0.00 C ATOM 493 CG ARG A 68 -0.003 6.300 3.244 1.00 0.00 C ATOM 494 CD ARG A 68 -0.699 7.078 4.349 1.00 0.00 C ATOM 495 NE ARG A 68 -0.649 8.521 4.123 1.00 0.00 N ATOM 496 CZ ARG A 68 -1.398 9.408 4.782 1.00 0.00 C ATOM 497 NH1 ARG A 68 -2.264 9.006 5.710 1.00 0.00 N ATOM 498 NH2 ARG A 68 -1.281 10.703 4.512 1.00 0.00 N ATOM 0 H ARG A 68 -2.268 4.819 4.780 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.842 4.927 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.148 4.535 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.564 4.271 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.066 6.512 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.375 6.631 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.739 6.758 4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.231 6.845 5.305 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.001 8.872 3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.359 8.013 5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.832 9.691 6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.620 11.018 3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.852 11.382 5.014 1.00 0.00 H new ATOM 512 N ALA A 69 -1.464 1.972 3.424 1.00 0.00 N ATOM 513 CA ALA A 69 -1.380 0.535 3.160 1.00 0.00 C ATOM 514 C ALA A 69 -2.636 -0.002 2.475 1.00 0.00 C ATOM 515 O ALA A 69 -2.544 -0.833 1.570 1.00 0.00 O ATOM 516 CB ALA A 69 -1.126 -0.227 4.453 1.00 0.00 C ATOM 0 H ALA A 69 -1.484 2.216 4.414 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.544 0.383 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.066 -1.294 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.188 0.108 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.942 -0.041 5.151 1.00 0.00 H new ATOM 522 N GLN A 70 -3.808 0.462 2.914 1.00 0.00 N ATOM 523 CA GLN A 70 -5.075 0.007 2.339 1.00 0.00 C ATOM 524 C GLN A 70 -5.180 0.387 0.863 1.00 0.00 C ATOM 525 O GLN A 70 -5.673 -0.395 0.051 1.00 0.00 O ATOM 526 CB GLN A 70 -6.272 0.565 3.127 1.00 0.00 C ATOM 527 CG GLN A 70 -6.584 2.031 2.852 1.00 0.00 C ATOM 528 CD GLN A 70 -7.853 2.225 2.040 1.00 0.00 C ATOM 529 OE1 GLN A 70 -8.269 1.340 1.292 1.00 0.00 O ATOM 530 NE2 GLN A 70 -8.479 3.389 2.185 1.00 0.00 N ATOM 0 H GLN A 70 -3.906 1.149 3.662 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.097 -1.080 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.154 -0.031 2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.078 0.442 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.681 2.560 3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.746 2.482 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.101 4.096 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.337 3.575 1.666 1.00 0.00 H new ATOM 539 N ALA A 71 -4.701 1.584 0.519 1.00 0.00 N ATOM 540 CA ALA A 71 -4.735 2.052 -0.861 1.00 0.00 C ATOM 541 C ALA A 71 -3.822 1.205 -1.746 1.00 0.00 C ATOM 542 O ALA A 71 -4.133 0.959 -2.912 1.00 0.00 O ATOM 543 CB ALA A 71 -4.351 3.523 -0.939 1.00 0.00 C ATOM 0 H ALA A 71 -4.287 2.243 1.178 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.755 1.946 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.383 3.853 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.052 4.114 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.343 3.657 -0.546 1.00 0.00 H new ATOM 549 N VAL A 72 -2.699 0.749 -1.184 1.00 0.00 N ATOM 550 CA VAL A 72 -1.757 -0.082 -1.931 1.00 0.00 C ATOM 551 C VAL A 72 -2.421 -1.391 -2.360 1.00 0.00 C ATOM 552 O VAL A 72 -2.329 -1.794 -3.520 1.00 0.00 O ATOM 553 CB VAL A 72 -0.489 -0.412 -1.109 1.00 0.00 C ATOM 554 CG1 VAL A 72 0.513 -1.180 -1.962 1.00 0.00 C ATOM 555 CG2 VAL A 72 0.145 0.853 -0.545 1.00 0.00 C ATOM 0 H VAL A 72 -2.423 0.941 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.459 0.494 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.785 -1.041 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.399 -1.404 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.061 -2.111 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.797 -0.575 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.034 0.590 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.424 1.516 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.569 1.359 0.105 1.00 0.00 H new ATOM 565 N GLU A 73 -3.094 -2.044 -1.413 1.00 0.00 N ATOM 566 CA GLU A 73 -3.780 -3.304 -1.685 1.00 0.00 C ATOM 567 C GLU A 73 -4.986 -3.084 -2.595 1.00 0.00 C ATOM 568 O GLU A 73 -5.236 -3.875 -3.506 1.00 0.00 O ATOM 569 CB GLU A 73 -4.224 -3.962 -0.377 1.00 0.00 C ATOM 570 CG GLU A 73 -3.118 -4.048 0.663 1.00 0.00 C ATOM 571 CD GLU A 73 -3.363 -5.132 1.696 1.00 0.00 C ATOM 572 OE1 GLU A 73 -3.282 -6.325 1.336 1.00 0.00 O ATOM 573 OE2 GLU A 73 -3.630 -4.786 2.866 1.00 0.00 O ATOM 0 H GLU A 73 -3.178 -1.720 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.080 -3.966 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.060 -3.399 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.590 -4.966 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.169 -4.238 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.025 -3.086 1.168 1.00 0.00 H new ATOM 580 N THR A 74 -5.724 -1.999 -2.351 1.00 0.00 N ATOM 581 CA THR A 74 -6.898 -1.671 -3.158 1.00 0.00 C ATOM 582 C THR A 74 -6.497 -1.412 -4.613 1.00 0.00 C ATOM 583 O THR A 74 -7.205 -1.809 -5.540 1.00 0.00 O ATOM 584 CB THR A 74 -7.628 -0.450 -2.582 1.00 0.00 C ATOM 585 OG1 THR A 74 -8.064 -0.701 -1.256 1.00 0.00 O ATOM 586 CG2 THR A 74 -8.843 -0.040 -3.389 1.00 0.00 C ATOM 0 H THR A 74 -5.529 -1.335 -1.602 1.00 0.00 H new ATOM 0 HA THR A 74 -7.577 -2.524 -3.132 1.00 0.00 H new ATOM 0 HB THR A 74 -6.898 0.359 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.303 -0.630 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.311 0.829 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.537 0.211 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.556 -0.864 -3.417 1.00 0.00 H new ATOM 594 N TYR A 75 -5.356 -0.751 -4.803 1.00 0.00 N ATOM 595 CA TYR A 75 -4.853 -0.450 -6.138 1.00 0.00 C ATOM 596 C TYR A 75 -4.462 -1.736 -6.874 1.00 0.00 C ATOM 597 O TYR A 75 -4.821 -1.930 -8.036 1.00 0.00 O ATOM 598 CB TYR A 75 -3.657 0.506 -6.037 1.00 0.00 C ATOM 599 CG TYR A 75 -2.690 0.421 -7.197 1.00 0.00 C ATOM 600 CD1 TYR A 75 -3.020 0.935 -8.444 1.00 0.00 C ATOM 601 CD2 TYR A 75 -1.446 -0.174 -7.039 1.00 0.00 C ATOM 602 CE1 TYR A 75 -2.136 0.858 -9.501 1.00 0.00 C ATOM 603 CE2 TYR A 75 -0.558 -0.255 -8.090 1.00 0.00 C ATOM 604 CZ TYR A 75 -0.906 0.262 -9.320 1.00 0.00 C ATOM 605 OH TYR A 75 -0.022 0.184 -10.371 1.00 0.00 O ATOM 0 H TYR A 75 -4.762 -0.414 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.643 0.034 -6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.029 1.528 -5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.117 0.297 -5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.983 1.402 -8.589 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.169 -0.580 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.406 1.263 -10.465 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.406 -0.721 -7.951 1.00 0.00 H new ATOM 0 HH TYR A 75 0.798 -0.264 -10.076 1.00 0.00 H new ATOM 615 N LEU A 76 -3.721 -2.606 -6.185 1.00 0.00 N ATOM 616 CA LEU A 76 -3.272 -3.871 -6.766 1.00 0.00 C ATOM 617 C LEU A 76 -4.454 -4.776 -7.118 1.00 0.00 C ATOM 618 O LEU A 76 -4.500 -5.346 -8.210 1.00 0.00 O ATOM 619 CB LEU A 76 -2.330 -4.596 -5.799 1.00 0.00 C ATOM 620 CG LEU A 76 -1.855 -5.978 -6.265 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.623 -5.851 -7.150 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.572 -6.879 -5.069 1.00 0.00 C ATOM 0 H LEU A 76 -3.419 -2.456 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.736 -3.640 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.456 -3.967 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.835 -4.707 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.651 -6.434 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.301 -6.842 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.864 -5.247 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.180 -5.373 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.236 -7.855 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.796 -6.429 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.481 -6.998 -4.480 1.00 0.00 H new ATOM 634 N LYS A 77 -5.407 -4.905 -6.193 1.00 0.00 N ATOM 635 CA LYS A 77 -6.586 -5.743 -6.420 1.00 0.00 C ATOM 636 C LYS A 77 -7.385 -5.251 -7.628 1.00 0.00 C ATOM 637 O LYS A 77 -7.964 -6.052 -8.362 1.00 0.00 O ATOM 638 CB LYS A 77 -7.475 -5.780 -5.173 1.00 0.00 C ATOM 639 CG LYS A 77 -8.074 -4.435 -4.800 1.00 0.00 C ATOM 640 CD LYS A 77 -9.145 -4.577 -3.733 1.00 0.00 C ATOM 641 CE LYS A 77 -10.299 -3.617 -3.971 1.00 0.00 C ATOM 642 NZ LYS A 77 -11.621 -4.279 -3.791 1.00 0.00 N ATOM 0 H LYS A 77 -5.386 -4.443 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.240 -6.755 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.283 -6.493 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.888 -6.150 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.287 -3.773 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.503 -3.968 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.518 -5.601 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.710 -4.388 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.218 -2.775 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.231 -3.211 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.381 -3.590 -3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.710 -5.066 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.697 -4.644 -2.820 1.00 0.00 H new ATOM 656 N LYS A 78 -7.403 -3.932 -7.834 1.00 0.00 N ATOM 657 CA LYS A 78 -8.122 -3.342 -8.961 1.00 0.00 C ATOM 658 C LYS A 78 -7.514 -3.806 -10.285 1.00 0.00 C ATOM 659 O LYS A 78 -8.236 -4.169 -11.213 1.00 0.00 O ATOM 660 CB LYS A 78 -8.091 -1.811 -8.872 1.00 0.00 C ATOM 661 CG LYS A 78 -9.241 -1.128 -9.602 1.00 0.00 C ATOM 662 CD LYS A 78 -9.666 0.155 -8.901 1.00 0.00 C ATOM 663 CE LYS A 78 -9.306 1.386 -9.719 1.00 0.00 C ATOM 664 NZ LYS A 78 -10.015 2.605 -9.237 1.00 0.00 N ATOM 0 H LYS A 78 -6.929 -3.255 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.159 -3.674 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.114 -1.517 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.148 -1.452 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.940 -0.902 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.090 -1.809 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.742 0.136 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.185 0.213 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.230 1.550 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.556 1.211 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.741 3.420 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.042 2.459 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.757 2.788 -8.246 1.00 0.00 H new ATOM 678 N LEU A 79 -6.181 -3.804 -10.358 1.00 0.00 N ATOM 679 CA LEU A 79 -5.476 -4.237 -11.565 1.00 0.00 C ATOM 680 C LEU A 79 -5.743 -5.712 -11.850 1.00 0.00 C ATOM 681 O LEU A 79 -6.057 -6.084 -12.980 1.00 0.00 O ATOM 682 CB LEU A 79 -3.968 -4.002 -11.418 1.00 0.00 C ATOM 683 CG LEU A 79 -3.517 -2.547 -11.570 1.00 0.00 C ATOM 684 CD1 LEU A 79 -2.074 -2.387 -11.113 1.00 0.00 C ATOM 685 CD2 LEU A 79 -3.677 -2.085 -13.013 1.00 0.00 C ATOM 0 H LEU A 79 -5.570 -3.508 -9.597 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.849 -3.647 -12.402 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.654 -4.362 -10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.448 -4.606 -12.161 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.149 -1.922 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.769 -1.347 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.990 -2.676 -10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.428 -3.023 -11.718 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.351 -1.049 -13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.070 -2.713 -13.665 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.724 -2.163 -13.306 1.00 0.00 H new ATOM 697 N ILE A 80 -5.628 -6.547 -10.818 1.00 0.00 N ATOM 698 CA ILE A 80 -5.867 -7.981 -10.968 1.00 0.00 C ATOM 699 C ILE A 80 -7.321 -8.252 -11.364 1.00 0.00 C ATOM 700 O ILE A 80 -7.596 -9.153 -12.157 1.00 0.00 O ATOM 701 CB ILE A 80 -5.539 -8.762 -9.673 1.00 0.00 C ATOM 702 CG1 ILE A 80 -4.124 -8.431 -9.181 1.00 0.00 C ATOM 703 CG2 ILE A 80 -5.679 -10.260 -9.909 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.824 -8.966 -7.796 1.00 0.00 C ATOM 0 H ILE A 80 -5.372 -6.257 -9.874 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.201 -8.328 -11.758 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.249 -8.460 -8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.399 -8.840 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.992 -7.349 -9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.445 -10.797 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.701 -10.487 -10.212 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.991 -10.570 -10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.807 -8.694 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.526 -8.538 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.923 -10.051 -7.796 1.00 0.00 H new ATOM 716 N ALA A 81 -8.246 -7.465 -10.806 1.00 0.00 N ATOM 717 CA ALA A 81 -9.669 -7.623 -11.101 1.00 0.00 C ATOM 718 C ALA A 81 -10.005 -7.176 -12.524 1.00 0.00 C ATOM 719 O ALA A 81 -10.839 -7.793 -13.188 1.00 0.00 O ATOM 720 CB ALA A 81 -10.512 -6.857 -10.090 1.00 0.00 C ATOM 0 H ALA A 81 -8.033 -6.714 -10.149 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.904 -8.685 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.568 -6.986 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.314 -7.238 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.258 -5.798 -10.132 1.00 0.00 H new ATOM 726 N THR A 82 -9.354 -6.110 -12.995 1.00 0.00 N ATOM 727 CA THR A 82 -9.599 -5.609 -14.347 1.00 0.00 C ATOM 728 C THR A 82 -8.996 -6.547 -15.386 1.00 0.00 C ATOM 729 O THR A 82 -9.706 -7.082 -16.239 1.00 0.00 O ATOM 730 CB THR A 82 -9.024 -4.198 -14.529 1.00 0.00 C ATOM 731 OG1 THR A 82 -7.734 -4.095 -13.947 1.00 0.00 O ATOM 732 CG2 THR A 82 -9.890 -3.113 -13.928 1.00 0.00 C ATOM 0 H THR A 82 -8.660 -5.582 -12.465 1.00 0.00 H new ATOM 0 HA THR A 82 -10.679 -5.565 -14.490 1.00 0.00 H new ATOM 0 HB THR A 82 -8.980 -4.047 -15.608 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.821 -3.967 -12.979 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.424 -2.142 -14.093 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.873 -3.129 -14.400 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.999 -3.286 -12.857 1.00 0.00 H new ATOM 740 N ASN A 83 -7.679 -6.741 -15.305 1.00 0.00 N ATOM 741 CA ASN A 83 -6.965 -7.617 -16.240 1.00 0.00 C ATOM 742 C ASN A 83 -5.463 -7.676 -15.941 1.00 0.00 C ATOM 743 O ASN A 83 -4.815 -8.685 -16.223 1.00 0.00 O ATOM 744 CB ASN A 83 -7.182 -7.163 -17.693 1.00 0.00 C ATOM 745 CG ASN A 83 -7.256 -5.652 -17.845 1.00 0.00 C ATOM 746 OD1 ASN A 83 -8.331 -5.092 -18.061 1.00 0.00 O ATOM 747 ND2 ASN A 83 -6.113 -4.984 -17.736 1.00 0.00 N ATOM 0 H ASN A 83 -7.083 -6.304 -14.602 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.377 -8.617 -16.108 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.369 -7.544 -18.311 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.104 -7.605 -18.071 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.105 -3.969 -17.832 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.244 -5.487 -17.557 1.00 0.00 H new ATOM 754 N ASN A 84 -4.909 -6.594 -15.383 1.00 0.00 N ATOM 755 CA ASN A 84 -3.484 -6.534 -15.063 1.00 0.00 C ATOM 756 C ASN A 84 -3.101 -7.586 -14.032 1.00 0.00 C ATOM 757 O ASN A 84 -3.274 -7.391 -12.826 1.00 0.00 O ATOM 758 CB ASN A 84 -3.108 -5.147 -14.554 1.00 0.00 C ATOM 759 CG ASN A 84 -2.746 -4.208 -15.683 1.00 0.00 C ATOM 760 OD1 ASN A 84 -1.571 -4.014 -15.994 1.00 0.00 O ATOM 761 ND2 ASN A 84 -3.759 -3.621 -16.308 1.00 0.00 N ATOM 0 H ASN A 84 -5.428 -5.749 -15.145 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.932 -6.740 -15.980 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.942 -4.730 -13.989 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.266 -5.229 -13.867 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.579 -2.979 -17.080 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.718 -3.811 -16.016 1.00 0.00 H new ATOM 768 N VAL A 85 -2.573 -8.695 -14.525 1.00 0.00 N ATOM 769 CA VAL A 85 -2.147 -9.798 -13.670 1.00 0.00 C ATOM 770 C VAL A 85 -0.775 -10.326 -14.103 1.00 0.00 C ATOM 771 O VAL A 85 -0.527 -11.533 -14.095 1.00 0.00 O ATOM 772 CB VAL A 85 -3.171 -10.958 -13.678 1.00 0.00 C ATOM 773 CG1 VAL A 85 -2.952 -11.873 -12.483 1.00 0.00 C ATOM 774 CG2 VAL A 85 -4.602 -10.429 -13.690 1.00 0.00 C ATOM 0 H VAL A 85 -2.427 -8.858 -15.521 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.079 -9.405 -12.656 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.017 -11.534 -14.590 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.682 -12.683 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.946 -12.290 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.071 -11.303 -11.562 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.300 -11.267 -13.695 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.772 -9.821 -12.802 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.758 -9.821 -14.581 1.00 0.00 H new ATOM 784 N THR A 86 0.116 -9.407 -14.477 1.00 0.00 N ATOM 785 CA THR A 86 1.464 -9.769 -14.907 1.00 0.00 C ATOM 786 C THR A 86 2.515 -8.925 -14.175 1.00 0.00 C ATOM 787 O THR A 86 3.533 -8.542 -14.755 1.00 0.00 O ATOM 788 CB THR A 86 1.607 -9.598 -16.426 1.00 0.00 C ATOM 789 OG1 THR A 86 1.086 -8.347 -16.850 1.00 0.00 O ATOM 790 CG2 THR A 86 0.908 -10.683 -17.221 1.00 0.00 C ATOM 0 H THR A 86 -0.074 -8.405 -14.490 1.00 0.00 H new ATOM 0 HA THR A 86 1.631 -10.817 -14.656 1.00 0.00 H new ATOM 0 HB THR A 86 2.678 -9.661 -16.619 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.190 -8.261 -17.821 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.049 -10.501 -18.286 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.329 -11.654 -16.960 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.157 -10.675 -16.989 1.00 0.00 H new ATOM 798 N HIS A 87 2.258 -8.641 -12.896 1.00 0.00 N ATOM 799 CA HIS A 87 3.178 -7.843 -12.081 1.00 0.00 C ATOM 800 C HIS A 87 3.032 -8.188 -10.597 1.00 0.00 C ATOM 801 O HIS A 87 2.029 -8.768 -10.182 1.00 0.00 O ATOM 802 CB HIS A 87 2.922 -6.346 -12.303 1.00 0.00 C ATOM 803 CG HIS A 87 4.002 -5.456 -11.759 1.00 0.00 C ATOM 804 ND1 HIS A 87 5.213 -5.265 -12.392 1.00 0.00 N ATOM 805 CD2 HIS A 87 4.047 -4.699 -10.634 1.00 0.00 C ATOM 806 CE1 HIS A 87 5.955 -4.432 -11.681 1.00 0.00 C ATOM 807 NE2 HIS A 87 5.270 -4.075 -10.611 1.00 0.00 N ATOM 0 H HIS A 87 1.421 -8.951 -12.402 1.00 0.00 H new ATOM 0 HA HIS A 87 4.197 -8.078 -12.389 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.816 -6.160 -13.372 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.974 -6.077 -11.837 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.266 -4.605 -9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.951 -4.101 -11.933 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.596 -3.438 -9.884 1.00 0.00 H new ATOM 816 N LYS A 88 4.040 -7.825 -9.801 1.00 0.00 N ATOM 817 CA LYS A 88 4.022 -8.094 -8.363 1.00 0.00 C ATOM 818 C LYS A 88 4.550 -6.893 -7.576 1.00 0.00 C ATOM 819 O LYS A 88 5.464 -6.201 -8.029 1.00 0.00 O ATOM 820 CB LYS A 88 4.860 -9.336 -8.042 1.00 0.00 C ATOM 821 CG LYS A 88 4.305 -10.626 -8.634 1.00 0.00 C ATOM 822 CD LYS A 88 4.547 -11.815 -7.714 1.00 0.00 C ATOM 823 CE LYS A 88 3.637 -11.774 -6.495 1.00 0.00 C ATOM 824 NZ LYS A 88 4.330 -12.244 -5.261 1.00 0.00 N ATOM 0 H LYS A 88 4.878 -7.344 -10.128 1.00 0.00 H new ATOM 0 HA LYS A 88 2.989 -8.275 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.874 -9.184 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.930 -9.445 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.235 -10.515 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.771 -10.813 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.379 -12.741 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.588 -11.820 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.280 -10.755 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.760 -12.395 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.673 -12.199 -4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.649 -13.225 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.152 -11.636 -5.071 1.00 0.00 H new ATOM 838 N ILE A 89 3.972 -6.650 -6.397 1.00 0.00 N ATOM 839 CA ILE A 89 4.394 -5.530 -5.556 1.00 0.00 C ATOM 840 C ILE A 89 5.582 -5.916 -4.677 1.00 0.00 C ATOM 841 O ILE A 89 5.525 -6.899 -3.934 1.00 0.00 O ATOM 842 CB ILE A 89 3.254 -5.011 -4.648 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.976 -4.770 -5.456 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.683 -3.729 -3.942 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.823 -4.244 -4.623 1.00 0.00 C ATOM 0 H ILE A 89 3.215 -7.211 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 89 4.683 -4.733 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 89 3.043 -5.773 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.190 -4.060 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.674 -5.704 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.872 -3.375 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.563 -3.928 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.922 -2.967 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.049 -4.097 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.582 -4.963 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.106 -3.294 -4.169 1.00 0.00 H new ATOM 857 N THR A 90 6.650 -5.126 -4.766 1.00 0.00 N ATOM 858 CA THR A 90 7.860 -5.363 -3.979 1.00 0.00 C ATOM 859 C THR A 90 8.055 -4.254 -2.945 1.00 0.00 C ATOM 860 O THR A 90 7.288 -3.290 -2.910 1.00 0.00 O ATOM 861 CB THR A 90 9.085 -5.447 -4.897 1.00 0.00 C ATOM 862 OG1 THR A 90 9.441 -4.162 -5.385 1.00 0.00 O ATOM 863 CG2 THR A 90 8.881 -6.352 -6.095 1.00 0.00 C ATOM 0 H THR A 90 6.702 -4.312 -5.378 1.00 0.00 H new ATOM 0 HA THR A 90 7.747 -6.312 -3.454 1.00 0.00 H new ATOM 0 HB THR A 90 9.876 -5.867 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.226 -4.239 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.787 -6.364 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.659 -7.363 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.049 -5.981 -6.694 1.00 0.00 H new ATOM 871 N GLU A 91 9.088 -4.390 -2.112 1.00 0.00 N ATOM 872 CA GLU A 91 9.382 -3.390 -1.083 1.00 0.00 C ATOM 873 C GLU A 91 9.530 -1.997 -1.700 1.00 0.00 C ATOM 874 O GLU A 91 9.050 -1.008 -1.143 1.00 0.00 O ATOM 875 CB GLU A 91 10.655 -3.762 -0.309 1.00 0.00 C ATOM 876 CG GLU A 91 11.884 -3.959 -1.188 1.00 0.00 C ATOM 877 CD GLU A 91 13.145 -4.224 -0.385 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.092 -5.047 0.556 1.00 0.00 O ATOM 879 OE2 GLU A 91 14.186 -3.609 -0.697 1.00 0.00 O ATOM 0 H GLU A 91 9.733 -5.180 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 91 8.543 -3.373 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.865 -2.980 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.472 -4.679 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.709 -4.793 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.031 -3.072 -1.804 1.00 0.00 H new ATOM 886 N ALA A 92 10.184 -1.932 -2.863 1.00 0.00 N ATOM 887 CA ALA A 92 10.381 -0.666 -3.564 1.00 0.00 C ATOM 888 C ALA A 92 9.046 -0.112 -4.058 1.00 0.00 C ATOM 889 O ALA A 92 8.789 1.088 -3.964 1.00 0.00 O ATOM 890 CB ALA A 92 11.345 -0.850 -4.730 1.00 0.00 C ATOM 0 H ALA A 92 10.585 -2.742 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 92 10.813 0.051 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.482 0.102 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.306 -1.202 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.937 -1.582 -5.427 1.00 0.00 H new ATOM 896 N GLU A 93 8.199 -1.002 -4.575 1.00 0.00 N ATOM 897 CA GLU A 93 6.885 -0.616 -5.078 1.00 0.00 C ATOM 898 C GLU A 93 5.997 -0.092 -3.950 1.00 0.00 C ATOM 899 O GLU A 93 5.225 0.845 -4.147 1.00 0.00 O ATOM 900 CB GLU A 93 6.212 -1.805 -5.769 1.00 0.00 C ATOM 901 CG GLU A 93 5.434 -1.426 -7.019 1.00 0.00 C ATOM 902 CD GLU A 93 6.312 -0.803 -8.088 1.00 0.00 C ATOM 903 OE1 GLU A 93 7.025 -1.557 -8.783 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.287 0.438 -8.228 1.00 0.00 O ATOM 0 H GLU A 93 8.402 -1.998 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 93 7.023 0.186 -5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.974 -2.538 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.536 -2.289 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.950 -2.315 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.642 -0.726 -6.751 1.00 0.00 H new ATOM 911 N ILE A 94 6.114 -0.696 -2.765 1.00 0.00 N ATOM 912 CA ILE A 94 5.315 -0.275 -1.615 1.00 0.00 C ATOM 913 C ILE A 94 5.640 1.167 -1.233 1.00 0.00 C ATOM 914 O ILE A 94 4.742 1.943 -0.907 1.00 0.00 O ATOM 915 CB ILE A 94 5.540 -1.191 -0.389 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.095 -2.625 -0.702 1.00 0.00 C ATOM 917 CG2 ILE A 94 4.792 -0.652 0.826 1.00 0.00 C ATOM 918 CD1 ILE A 94 3.595 -2.783 -0.840 1.00 0.00 C ATOM 0 H ILE A 94 6.749 -1.472 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 94 4.269 -0.349 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 94 6.605 -1.203 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.572 -2.950 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.449 -3.286 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.962 -1.309 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.154 0.349 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.725 -0.610 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.358 -3.824 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.111 -2.490 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.235 -2.149 -1.650 1.00 0.00 H new ATOM 930 N VAL A 95 6.923 1.525 -1.286 1.00 0.00 N ATOM 931 CA VAL A 95 7.348 2.882 -0.952 1.00 0.00 C ATOM 932 C VAL A 95 6.817 3.888 -1.974 1.00 0.00 C ATOM 933 O VAL A 95 6.304 4.944 -1.602 1.00 0.00 O ATOM 934 CB VAL A 95 8.886 3.001 -0.876 1.00 0.00 C ATOM 935 CG1 VAL A 95 9.294 4.384 -0.389 1.00 0.00 C ATOM 936 CG2 VAL A 95 9.468 1.917 0.023 1.00 0.00 C ATOM 0 H VAL A 95 7.681 0.898 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 95 6.933 3.107 0.031 1.00 0.00 H new ATOM 0 HB VAL A 95 9.289 2.861 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.381 4.447 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.916 5.139 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.878 4.558 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.552 2.020 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.058 2.018 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.211 0.936 -0.377 1.00 0.00 H new ATOM 946 N SER A 96 6.936 3.554 -3.262 1.00 0.00 N ATOM 947 CA SER A 96 6.457 4.437 -4.325 1.00 0.00 C ATOM 948 C SER A 96 4.947 4.635 -4.219 1.00 0.00 C ATOM 949 O SER A 96 4.457 5.762 -4.303 1.00 0.00 O ATOM 950 CB SER A 96 6.823 3.884 -5.706 1.00 0.00 C ATOM 951 OG SER A 96 6.918 2.470 -5.690 1.00 0.00 O ATOM 0 H SER A 96 7.357 2.685 -3.591 1.00 0.00 H new ATOM 0 HA SER A 96 6.946 5.403 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.071 4.191 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.773 4.310 -6.030 1.00 0.00 H new ATOM 0 HG SER A 96 6.179 2.098 -5.164 1.00 0.00 H new ATOM 957 N ILE A 97 4.212 3.538 -4.012 1.00 0.00 N ATOM 958 CA ILE A 97 2.760 3.615 -3.872 1.00 0.00 C ATOM 959 C ILE A 97 2.399 4.438 -2.636 1.00 0.00 C ATOM 960 O ILE A 97 1.484 5.259 -2.676 1.00 0.00 O ATOM 961 CB ILE A 97 2.100 2.218 -3.777 1.00 0.00 C ATOM 962 CG1 ILE A 97 2.497 1.348 -4.974 1.00 0.00 C ATOM 963 CG2 ILE A 97 0.583 2.353 -3.707 1.00 0.00 C ATOM 964 CD1 ILE A 97 2.564 -0.132 -4.656 1.00 0.00 C ATOM 0 H ILE A 97 4.597 2.596 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 97 2.376 4.098 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 97 2.454 1.734 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.780 1.505 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.469 1.676 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.132 1.363 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.310 2.936 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.221 2.857 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.851 -0.684 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.302 -0.303 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.587 -0.476 -4.315 1.00 0.00 H new ATOM 976 N LEU A 98 3.141 4.228 -1.545 1.00 0.00 N ATOM 977 CA LEU A 98 2.914 4.970 -0.305 1.00 0.00 C ATOM 978 C LEU A 98 3.137 6.465 -0.531 1.00 0.00 C ATOM 979 O LEU A 98 2.360 7.297 -0.062 1.00 0.00 O ATOM 980 CB LEU A 98 3.854 4.471 0.799 1.00 0.00 C ATOM 981 CG LEU A 98 3.179 3.705 1.940 1.00 0.00 C ATOM 982 CD1 LEU A 98 3.943 2.427 2.257 1.00 0.00 C ATOM 983 CD2 LEU A 98 3.068 4.582 3.180 1.00 0.00 C ATOM 0 H LEU A 98 3.902 3.551 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 98 1.882 4.806 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.608 3.826 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.379 5.328 1.220 1.00 0.00 H new ATOM 0 HG LEU A 98 2.174 3.431 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.446 1.898 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.969 1.790 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.961 2.676 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.586 4.021 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.064 4.887 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.474 5.466 2.948 1.00 0.00 H new ATOM 995 N ASN A 99 4.208 6.794 -1.258 1.00 0.00 N ATOM 996 CA ASN A 99 4.548 8.185 -1.556 1.00 0.00 C ATOM 997 C ASN A 99 3.459 8.854 -2.394 1.00 0.00 C ATOM 998 O ASN A 99 3.096 10.005 -2.146 1.00 0.00 O ATOM 999 CB ASN A 99 5.888 8.259 -2.293 1.00 0.00 C ATOM 1000 CG ASN A 99 7.053 8.492 -1.350 1.00 0.00 C ATOM 1001 OD1 ASN A 99 7.301 9.617 -0.917 1.00 0.00 O ATOM 1002 ND2 ASN A 99 7.777 7.426 -1.025 1.00 0.00 N ATOM 0 H ASN A 99 4.856 6.112 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 99 4.628 8.718 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.049 7.332 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.852 9.063 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.573 7.523 -0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.537 6.511 -1.406 1.00 0.00 H new ATOM 1009 N GLY A 100 2.932 8.122 -3.376 1.00 0.00 N ATOM 1010 CA GLY A 100 1.883 8.663 -4.222 1.00 0.00 C ATOM 1011 C GLY A 100 0.555 8.717 -3.502 1.00 0.00 C ATOM 1012 O GLY A 100 -0.176 9.704 -3.600 1.00 0.00 O ATOM 0 H GLY A 100 3.213 7.167 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.160 9.665 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.786 8.050 -5.118 1.00 0.00 H new ATOM 1016 N ILE A 101 0.257 7.654 -2.759 1.00 0.00 N ATOM 1017 CA ILE A 101 -0.977 7.562 -1.993 1.00 0.00 C ATOM 1018 C ILE A 101 -1.066 8.697 -0.970 1.00 0.00 C ATOM 1019 O ILE A 101 -2.124 9.301 -0.790 1.00 0.00 O ATOM 1020 CB ILE A 101 -1.074 6.197 -1.272 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -1.514 5.111 -2.257 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -2.029 6.269 -0.092 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -1.369 3.704 -1.715 1.00 0.00 C ATOM 0 H ILE A 101 0.862 6.838 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.810 7.651 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.087 5.942 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.556 5.280 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.926 5.202 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.078 5.296 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.673 7.014 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.022 6.549 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.700 2.988 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.324 3.515 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.979 3.595 -0.818 1.00 0.00 H new ATOM 1035 N ALA A 102 0.056 8.988 -0.313 1.00 0.00 N ATOM 1036 CA ALA A 102 0.109 10.057 0.680 1.00 0.00 C ATOM 1037 C ALA A 102 -0.070 11.426 0.022 1.00 0.00 C ATOM 1038 O ALA A 102 -0.629 12.342 0.625 1.00 0.00 O ATOM 1039 CB ALA A 102 1.422 10.007 1.449 1.00 0.00 C ATOM 0 H ALA A 102 0.940 8.498 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.712 9.906 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.444 10.811 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.509 9.047 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.254 10.127 0.756 1.00 0.00 H new ATOM 1045 N LYS A 103 0.410 11.556 -1.218 1.00 0.00 N ATOM 1046 CA LYS A 103 0.302 12.813 -1.958 1.00 0.00 C ATOM 1047 C LYS A 103 -1.150 13.105 -2.339 1.00 0.00 C ATOM 1048 O LYS A 103 -1.625 14.229 -2.171 1.00 0.00 O ATOM 1049 CB LYS A 103 1.177 12.774 -3.215 1.00 0.00 C ATOM 1050 CG LYS A 103 1.856 14.100 -3.527 1.00 0.00 C ATOM 1051 CD LYS A 103 2.103 14.269 -5.020 1.00 0.00 C ATOM 1052 CE LYS A 103 3.568 14.056 -5.373 1.00 0.00 C ATOM 1053 NZ LYS A 103 4.351 15.324 -5.311 1.00 0.00 N ATOM 0 H LYS A 103 0.876 10.806 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 103 0.653 13.614 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.940 12.005 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.562 12.481 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.236 14.920 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 103 2.804 14.158 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.488 13.560 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.795 15.268 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.003 13.328 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.641 13.634 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.343 15.132 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.953 16.011 -5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.304 15.714 -4.348 1.00 0.00 H new ATOM 1067 N GLN A 104 -1.852 12.089 -2.848 1.00 0.00 N ATOM 1068 CA GLN A 104 -3.253 12.246 -3.245 1.00 0.00 C ATOM 1069 C GLN A 104 -4.139 12.567 -2.037 1.00 0.00 C ATOM 1070 O GLN A 104 -5.134 13.281 -2.162 1.00 0.00 O ATOM 1071 CB GLN A 104 -3.764 10.984 -3.954 1.00 0.00 C ATOM 1072 CG GLN A 104 -3.706 9.723 -3.103 1.00 0.00 C ATOM 1073 CD GLN A 104 -4.651 8.644 -3.594 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -4.429 8.041 -4.643 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -5.713 8.390 -2.836 1.00 0.00 N ATOM 0 H GLN A 104 -1.475 11.153 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.306 13.084 -3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.794 11.150 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.176 10.826 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.687 9.336 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.952 9.974 -2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.860 8.913 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.381 7.672 -3.117 1.00 0.00 H new