USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 672 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 78 SER OG : rot 146:sc= -0.0749 USER MOD Set 1.2: A 94 ASN : amide:sc=-0.00976 K(o=-0.085,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -1.07 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.7!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 84:sc= 0.0163 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0742 X(o=-0.074,f=-0.24) USER MOD Single : A 43 THR OG1 : rot -67:sc= 0.133 USER MOD Single : A 44 GLN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.5) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 13:sc= 0.269 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -137:sc= 0 (180deg=-0.0697) USER MOD Single : A 68 TYR OH : rot -10:sc= -1.13 USER MOD Single : A 71 GLN : amide:sc= -0.001 X(o=-0.001,f=-0.3) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 142:sc= 0 (180deg=-0.303) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.175 4.687 8.121 1.00 0.00 N ATOM 149 CA ALA A 13 -6.912 5.063 8.745 1.00 0.00 C ATOM 150 C ALA A 13 -6.759 6.578 8.805 1.00 0.00 C ATOM 151 O ALA A 13 -7.521 7.315 8.179 1.00 0.00 O ATOM 152 CB ALA A 13 -5.746 4.443 7.990 1.00 0.00 C ATOM 0 HA ALA A 13 -6.913 4.683 9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.809 4.732 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.840 3.357 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.752 4.795 6.958 1.00 0.00 H new ATOM 158 N ASN A 14 -5.769 7.039 9.563 1.00 0.00 N ATOM 159 CA ASN A 14 -5.516 8.468 9.705 1.00 0.00 C ATOM 160 C ASN A 14 -4.247 8.871 8.961 1.00 0.00 C ATOM 161 O ASN A 14 -4.172 9.958 8.387 1.00 0.00 O ATOM 162 CB ASN A 14 -5.393 8.841 11.184 1.00 0.00 C ATOM 163 CG ASN A 14 -6.741 8.908 11.875 1.00 0.00 C ATOM 164 OD1 ASN A 14 -7.217 9.987 12.228 1.00 0.00 O ATOM 165 ND2 ASN A 14 -7.363 7.752 12.075 1.00 0.00 N ATOM 0 H ASN A 14 -5.129 6.443 10.088 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.358 9.006 9.270 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.764 8.109 11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.893 9.806 11.273 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.272 7.735 12.538 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.932 6.881 11.766 1.00 0.00 H new ATOM 172 N SER A 15 -3.253 7.990 8.973 1.00 0.00 N ATOM 173 CA SER A 15 -1.988 8.254 8.299 1.00 0.00 C ATOM 174 C SER A 15 -1.741 7.236 7.187 1.00 0.00 C ATOM 175 O SER A 15 -2.279 6.129 7.218 1.00 0.00 O ATOM 176 CB SER A 15 -0.834 8.222 9.304 1.00 0.00 C ATOM 177 OG SER A 15 -0.026 9.381 9.192 1.00 0.00 O ATOM 0 H SER A 15 -3.299 7.086 9.443 1.00 0.00 H new ATOM 0 HA SER A 15 -2.043 9.247 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.232 8.149 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.226 7.333 9.135 1.00 0.00 H new ATOM 0 HG SER A 15 0.703 9.336 9.846 1.00 0.00 H new ATOM 183 N PRO A 16 -0.922 7.599 6.185 1.00 0.00 N ATOM 184 CA PRO A 16 -0.608 6.711 5.062 1.00 0.00 C ATOM 185 C PRO A 16 0.259 5.528 5.483 1.00 0.00 C ATOM 186 O PRO A 16 0.229 4.469 4.857 1.00 0.00 O ATOM 187 CB PRO A 16 0.156 7.616 4.093 1.00 0.00 C ATOM 188 CG PRO A 16 0.746 8.679 4.953 1.00 0.00 C ATOM 189 CD PRO A 16 -0.238 8.901 6.070 1.00 0.00 C ATOM 0 HA PRO A 16 -1.506 6.267 4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.930 7.062 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.508 8.040 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.716 8.372 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.906 9.596 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.263 9.175 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.938 9.703 5.836 1.00 0.00 H new ATOM 197 N GLN A 17 1.032 5.717 6.548 1.00 0.00 N ATOM 198 CA GLN A 17 1.908 4.666 7.053 1.00 0.00 C ATOM 199 C GLN A 17 1.109 3.424 7.431 1.00 0.00 C ATOM 200 O GLN A 17 1.513 2.299 7.135 1.00 0.00 O ATOM 201 CB GLN A 17 2.694 5.168 8.265 1.00 0.00 C ATOM 202 CG GLN A 17 4.021 5.816 7.905 1.00 0.00 C ATOM 203 CD GLN A 17 4.323 7.037 8.751 1.00 0.00 C ATOM 204 OE1 GLN A 17 4.539 8.130 8.228 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.341 6.857 10.066 1.00 0.00 N ATOM 0 H GLN A 17 1.069 6.588 7.078 1.00 0.00 H new ATOM 0 HA GLN A 17 2.606 4.398 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.084 5.888 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.879 4.332 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.822 5.087 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.008 6.102 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.156 5.933 10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.540 7.643 10.686 1.00 0.00 H new ATOM 214 N GLU A 18 -0.028 3.634 8.086 1.00 0.00 N ATOM 215 CA GLU A 18 -0.885 2.531 8.505 1.00 0.00 C ATOM 216 C GLU A 18 -1.654 1.957 7.320 1.00 0.00 C ATOM 217 O GLU A 18 -1.780 0.741 7.179 1.00 0.00 O ATOM 218 CB GLU A 18 -1.862 2.998 9.584 1.00 0.00 C ATOM 219 CG GLU A 18 -2.289 1.895 10.538 1.00 0.00 C ATOM 220 CD GLU A 18 -2.810 2.432 11.856 1.00 0.00 C ATOM 221 OE1 GLU A 18 -2.012 3.024 12.613 1.00 0.00 O ATOM 222 OE2 GLU A 18 -4.016 2.262 12.132 1.00 0.00 O ATOM 0 H GLU A 18 -0.377 4.558 8.338 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.249 1.747 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.401 3.803 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.748 3.415 9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.063 1.290 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.442 1.236 10.728 1.00 0.00 H new ATOM 229 N ALA A 19 -2.167 2.841 6.470 1.00 0.00 N ATOM 230 CA ALA A 19 -2.924 2.422 5.297 1.00 0.00 C ATOM 231 C ALA A 19 -2.068 1.571 4.365 1.00 0.00 C ATOM 232 O ALA A 19 -2.557 0.624 3.749 1.00 0.00 O ATOM 233 CB ALA A 19 -3.465 3.637 4.557 1.00 0.00 C ATOM 0 H ALA A 19 -2.072 3.851 6.572 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.762 1.812 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.028 3.310 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.119 4.205 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.635 4.268 4.238 1.00 0.00 H new ATOM 239 N LEU A 20 -0.788 1.915 4.265 1.00 0.00 N ATOM 240 CA LEU A 20 0.136 1.182 3.408 1.00 0.00 C ATOM 241 C LEU A 20 0.569 -0.124 4.066 1.00 0.00 C ATOM 242 O LEU A 20 0.686 -1.155 3.403 1.00 0.00 O ATOM 243 CB LEU A 20 1.362 2.041 3.093 1.00 0.00 C ATOM 244 CG LEU A 20 2.379 1.396 2.151 1.00 0.00 C ATOM 245 CD1 LEU A 20 2.013 1.672 0.700 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.781 1.902 2.454 1.00 0.00 C ATOM 0 H LEU A 20 -0.367 2.697 4.767 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.380 0.944 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.026 2.980 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.863 2.290 4.029 1.00 0.00 H new ATOM 0 HG LEU A 20 2.360 0.318 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.748 1.205 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.026 1.261 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.003 2.748 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.492 1.433 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.814 2.984 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.043 1.653 3.482 1.00 0.00 H new ATOM 258 N LEU A 21 0.808 -0.072 5.372 1.00 0.00 N ATOM 259 CA LEU A 21 1.230 -1.251 6.119 1.00 0.00 C ATOM 260 C LEU A 21 0.113 -2.287 6.179 1.00 0.00 C ATOM 261 O LEU A 21 0.349 -3.482 5.997 1.00 0.00 O ATOM 262 CB LEU A 21 1.653 -0.858 7.535 1.00 0.00 C ATOM 263 CG LEU A 21 2.260 -1.988 8.368 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.504 -2.540 7.690 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.587 -1.499 9.771 1.00 0.00 C ATOM 0 H LEU A 21 0.717 0.774 5.935 1.00 0.00 H new ATOM 0 HA LEU A 21 2.082 -1.692 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.378 -0.047 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.783 -0.466 8.062 1.00 0.00 H new ATOM 0 HG LEU A 21 1.527 -2.791 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.923 -3.343 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.240 -2.928 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.242 -1.745 7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.018 -2.316 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.302 -0.679 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.675 -1.152 10.257 1.00 0.00 H new ATOM 277 N TRP A 22 -1.106 -1.821 6.435 1.00 0.00 N ATOM 278 CA TRP A 22 -2.261 -2.708 6.519 1.00 0.00 C ATOM 279 C TRP A 22 -2.495 -3.427 5.194 1.00 0.00 C ATOM 280 O TRP A 22 -2.981 -4.557 5.167 1.00 0.00 O ATOM 281 CB TRP A 22 -3.510 -1.917 6.910 1.00 0.00 C ATOM 282 CG TRP A 22 -4.451 -2.686 7.786 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.542 -2.622 9.147 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.435 -3.636 7.361 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.523 -3.474 9.593 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.086 -4.108 8.517 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.830 -4.132 6.115 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.108 -5.052 8.463 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -6.844 -5.070 6.063 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.474 -5.520 7.230 1.00 0.00 C ATOM 0 H TRP A 22 -1.319 -0.835 6.588 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.057 -3.456 7.285 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.207 -1.006 7.426 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.035 -1.611 6.005 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.932 -1.994 9.780 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.789 -3.612 10.568 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.352 -3.789 5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.594 -5.402 9.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.156 -5.462 5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.265 -6.251 7.155 1.00 0.00 H new ATOM 301 N ALA A 23 -2.147 -2.763 4.096 1.00 0.00 N ATOM 302 CA ALA A 23 -2.320 -3.338 2.768 1.00 0.00 C ATOM 303 C ALA A 23 -1.347 -4.488 2.535 1.00 0.00 C ATOM 304 O ALA A 23 -1.646 -5.427 1.797 1.00 0.00 O ATOM 305 CB ALA A 23 -2.140 -2.267 1.703 1.00 0.00 C ATOM 0 H ALA A 23 -1.744 -1.826 4.101 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.332 -3.736 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.272 -2.710 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.880 -1.480 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.139 -1.842 1.780 1.00 0.00 H new ATOM 311 N LEU A 24 -0.181 -4.408 3.168 1.00 0.00 N ATOM 312 CA LEU A 24 0.837 -5.443 3.027 1.00 0.00 C ATOM 313 C LEU A 24 0.530 -6.635 3.927 1.00 0.00 C ATOM 314 O LEU A 24 0.855 -7.776 3.596 1.00 0.00 O ATOM 315 CB LEU A 24 2.219 -4.878 3.364 1.00 0.00 C ATOM 316 CG LEU A 24 2.631 -3.651 2.549 1.00 0.00 C ATOM 317 CD1 LEU A 24 3.469 -2.704 3.395 1.00 0.00 C ATOM 318 CD2 LEU A 24 3.395 -4.072 1.303 1.00 0.00 C ATOM 0 H LEU A 24 0.082 -3.638 3.783 1.00 0.00 H new ATOM 0 HA LEU A 24 0.833 -5.782 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.240 -4.617 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.962 -5.661 3.214 1.00 0.00 H new ATOM 0 HG LEU A 24 1.728 -3.125 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.753 -1.837 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.889 -2.376 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.367 -3.219 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.680 -3.187 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.291 -4.621 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.762 -4.710 0.686 1.00 0.00 H new ATOM 330 N ASN A 25 -0.099 -6.365 5.066 1.00 0.00 N ATOM 331 CA ASN A 25 -0.451 -7.416 6.013 1.00 0.00 C ATOM 332 C ASN A 25 -1.625 -8.243 5.499 1.00 0.00 C ATOM 333 O ASN A 25 -1.730 -9.435 5.783 1.00 0.00 O ATOM 334 CB ASN A 25 -0.795 -6.811 7.375 1.00 0.00 C ATOM 335 CG ASN A 25 0.396 -6.137 8.027 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.363 -5.776 7.356 1.00 0.00 O ATOM 337 ND2 ASN A 25 0.332 -5.966 9.342 1.00 0.00 N ATOM 0 H ASN A 25 -0.375 -5.427 5.356 1.00 0.00 H new ATOM 0 HA ASN A 25 0.411 -8.074 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.599 -6.084 7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.170 -7.595 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.104 -5.520 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.490 -6.281 9.858 1.00 0.00 H new ATOM 344 N ASP A 26 -2.508 -7.599 4.740 1.00 0.00 N ATOM 345 CA ASP A 26 -3.676 -8.274 4.186 1.00 0.00 C ATOM 346 C ASP A 26 -3.264 -9.317 3.152 1.00 0.00 C ATOM 347 O ASP A 26 -3.945 -10.326 2.970 1.00 0.00 O ATOM 348 CB ASP A 26 -4.624 -7.256 3.551 1.00 0.00 C ATOM 349 CG ASP A 26 -6.013 -7.820 3.327 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.117 -8.993 2.911 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.996 -7.089 3.569 1.00 0.00 O ATOM 0 H ASP A 26 -2.436 -6.611 4.495 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.191 -8.782 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.691 -6.377 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.211 -6.925 2.598 1.00 0.00 H new ATOM 356 N LEU A 27 -2.146 -9.067 2.476 1.00 0.00 N ATOM 357 CA LEU A 27 -1.646 -9.985 1.460 1.00 0.00 C ATOM 358 C LEU A 27 -1.382 -11.366 2.053 1.00 0.00 C ATOM 359 O LEU A 27 -1.246 -11.516 3.268 1.00 0.00 O ATOM 360 CB LEU A 27 -0.363 -9.433 0.832 1.00 0.00 C ATOM 361 CG LEU A 27 -0.575 -8.536 -0.388 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.545 -7.511 -0.498 1.00 0.00 C ATOM 363 CD2 LEU A 27 -0.660 -9.372 -1.655 1.00 0.00 C ATOM 0 H LEU A 27 -1.570 -8.236 2.614 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.409 -10.082 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.181 -8.868 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.272 -10.271 0.543 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.517 -8.003 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.378 -6.881 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.560 -6.891 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.501 -8.026 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.811 -8.717 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.266 -9.932 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.496 -10.067 -1.577 1.00 0.00 H new ATOM 375 N GLU A 28 -1.310 -12.373 1.188 1.00 0.00 N ATOM 376 CA GLU A 28 -1.062 -13.741 1.625 1.00 0.00 C ATOM 377 C GLU A 28 0.367 -14.166 1.301 1.00 0.00 C ATOM 378 O GLU A 28 1.151 -13.384 0.766 1.00 0.00 O ATOM 379 CB GLU A 28 -2.054 -14.699 0.961 1.00 0.00 C ATOM 380 CG GLU A 28 -3.295 -14.965 1.798 1.00 0.00 C ATOM 381 CD GLU A 28 -3.153 -16.194 2.674 1.00 0.00 C ATOM 382 OE1 GLU A 28 -3.168 -17.318 2.128 1.00 0.00 O ATOM 383 OE2 GLU A 28 -3.028 -16.033 3.906 1.00 0.00 O ATOM 0 H GLU A 28 -1.420 -12.266 0.180 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.197 -13.780 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.356 -14.286 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.553 -15.645 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.499 -14.097 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.154 -15.090 1.139 1.00 0.00 H new ATOM 390 N GLU A 29 0.698 -15.411 1.629 1.00 0.00 N ATOM 391 CA GLU A 29 2.032 -15.941 1.374 1.00 0.00 C ATOM 392 C GLU A 29 2.275 -16.099 -0.124 1.00 0.00 C ATOM 393 O GLU A 29 3.294 -15.649 -0.649 1.00 0.00 O ATOM 394 CB GLU A 29 2.213 -17.287 2.082 1.00 0.00 C ATOM 395 CG GLU A 29 3.224 -17.244 3.217 1.00 0.00 C ATOM 396 CD GLU A 29 2.592 -17.504 4.571 1.00 0.00 C ATOM 397 OE1 GLU A 29 1.971 -16.572 5.125 1.00 0.00 O ATOM 398 OE2 GLU A 29 2.719 -18.639 5.078 1.00 0.00 O ATOM 0 H GLU A 29 0.060 -16.072 2.072 1.00 0.00 H new ATOM 0 HA GLU A 29 2.761 -15.233 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.251 -17.614 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.529 -18.033 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.001 -17.986 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.711 -16.269 3.229 1.00 0.00 H new ATOM 405 N ASN A 30 1.333 -16.742 -0.807 1.00 0.00 N ATOM 406 CA ASN A 30 1.446 -16.959 -2.244 1.00 0.00 C ATOM 407 C ASN A 30 1.415 -15.635 -3.000 1.00 0.00 C ATOM 408 O ASN A 30 2.032 -15.497 -4.056 1.00 0.00 O ATOM 409 CB ASN A 30 0.315 -17.867 -2.733 1.00 0.00 C ATOM 410 CG ASN A 30 0.792 -18.895 -3.739 1.00 0.00 C ATOM 411 OD1 ASN A 30 1.235 -19.983 -3.370 1.00 0.00 O ATOM 412 ND2 ASN A 30 0.704 -18.557 -5.019 1.00 0.00 N ATOM 0 H ASN A 30 0.484 -17.121 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 30 2.403 -17.444 -2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.132 -18.378 -1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.467 -17.257 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.010 -19.209 -5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.331 -17.645 -5.281 1.00 0.00 H new ATOM 419 N SER A 31 0.693 -14.664 -2.453 1.00 0.00 N ATOM 420 CA SER A 31 0.581 -13.350 -3.075 1.00 0.00 C ATOM 421 C SER A 31 1.861 -12.544 -2.879 1.00 0.00 C ATOM 422 O SER A 31 2.425 -12.014 -3.836 1.00 0.00 O ATOM 423 CB SER A 31 -0.610 -12.586 -2.492 1.00 0.00 C ATOM 424 OG SER A 31 -1.777 -13.391 -2.483 1.00 0.00 O ATOM 0 H SER A 31 0.176 -14.762 -1.579 1.00 0.00 H new ATOM 0 HA SER A 31 0.424 -13.494 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.378 -12.265 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.790 -11.685 -3.078 1.00 0.00 H new ATOM 0 HG SER A 31 -2.523 -12.881 -2.104 1.00 0.00 H new ATOM 430 N PHE A 32 2.314 -12.455 -1.633 1.00 0.00 N ATOM 431 CA PHE A 32 3.527 -11.713 -1.312 1.00 0.00 C ATOM 432 C PHE A 32 4.730 -12.289 -2.052 1.00 0.00 C ATOM 433 O PHE A 32 5.657 -11.563 -2.410 1.00 0.00 O ATOM 434 CB PHE A 32 3.782 -11.740 0.197 1.00 0.00 C ATOM 435 CG PHE A 32 4.347 -10.456 0.733 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.618 -9.280 0.664 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.607 -10.427 1.308 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.136 -8.098 1.157 1.00 0.00 C ATOM 439 CE2 PHE A 32 6.131 -9.247 1.803 1.00 0.00 C ATOM 440 CZ PHE A 32 5.393 -8.081 1.729 1.00 0.00 C ATOM 0 H PHE A 32 1.859 -12.888 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 32 3.386 -10.681 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.846 -11.959 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.470 -12.554 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.634 -9.287 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.187 -11.336 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.558 -7.188 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.116 -9.237 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.798 -7.158 2.118 1.00 0.00 H new ATOM 450 N LYS A 33 4.709 -13.599 -2.276 1.00 0.00 N ATOM 451 CA LYS A 33 5.797 -14.273 -2.974 1.00 0.00 C ATOM 452 C LYS A 33 5.921 -13.769 -4.409 1.00 0.00 C ATOM 453 O LYS A 33 7.025 -13.626 -4.934 1.00 0.00 O ATOM 454 CB LYS A 33 5.575 -15.788 -2.965 1.00 0.00 C ATOM 455 CG LYS A 33 6.763 -16.574 -2.431 1.00 0.00 C ATOM 456 CD LYS A 33 6.448 -18.058 -2.322 1.00 0.00 C ATOM 457 CE LYS A 33 6.565 -18.551 -0.888 1.00 0.00 C ATOM 458 NZ LYS A 33 7.853 -19.258 -0.647 1.00 0.00 N ATOM 0 H LYS A 33 3.950 -14.215 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 33 6.726 -14.047 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.698 -16.015 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.356 -16.121 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.620 -16.431 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.045 -16.188 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.439 -18.244 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.129 -18.623 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.482 -17.705 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.735 -19.222 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.894 -19.578 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.922 -20.080 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.645 -18.610 -0.834 1.00 0.00 H new ATOM 472 N THR A 34 4.781 -13.506 -5.039 1.00 0.00 N ATOM 473 CA THR A 34 4.761 -13.020 -6.414 1.00 0.00 C ATOM 474 C THR A 34 4.875 -11.499 -6.456 1.00 0.00 C ATOM 475 O THR A 34 5.468 -10.936 -7.376 1.00 0.00 O ATOM 476 CB THR A 34 3.479 -13.467 -7.117 1.00 0.00 C ATOM 477 OG1 THR A 34 3.328 -14.873 -7.037 1.00 0.00 O ATOM 478 CG2 THR A 34 3.434 -13.083 -8.580 1.00 0.00 C ATOM 0 H THR A 34 3.859 -13.621 -4.619 1.00 0.00 H new ATOM 0 HA THR A 34 5.619 -13.445 -6.935 1.00 0.00 H new ATOM 0 HB THR A 34 2.670 -12.953 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.917 -15.110 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.498 -13.430 -9.019 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.499 -11.999 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.272 -13.543 -9.103 1.00 0.00 H new ATOM 486 N LEU A 35 4.301 -10.840 -5.455 1.00 0.00 N ATOM 487 CA LEU A 35 4.336 -9.384 -5.379 1.00 0.00 C ATOM 488 C LEU A 35 5.751 -8.887 -5.103 1.00 0.00 C ATOM 489 O LEU A 35 6.147 -7.819 -5.570 1.00 0.00 O ATOM 490 CB LEU A 35 3.386 -8.886 -4.288 1.00 0.00 C ATOM 491 CG LEU A 35 3.249 -7.365 -4.194 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.185 -6.864 -5.158 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.919 -6.948 -2.768 1.00 0.00 C ATOM 0 H LEU A 35 3.806 -11.291 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 35 4.013 -8.987 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.399 -9.314 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.731 -9.265 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 35 4.202 -6.915 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.102 -5.780 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.463 -7.131 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.227 -7.321 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.825 -5.863 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.979 -7.408 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.716 -7.274 -2.100 1.00 0.00 H new ATOM 505 N LYS A 36 6.510 -9.670 -4.343 1.00 0.00 N ATOM 506 CA LYS A 36 7.883 -9.309 -4.005 1.00 0.00 C ATOM 507 C LYS A 36 8.730 -9.151 -5.264 1.00 0.00 C ATOM 508 O LYS A 36 9.468 -8.177 -5.409 1.00 0.00 O ATOM 509 CB LYS A 36 8.498 -10.368 -3.088 1.00 0.00 C ATOM 510 CG LYS A 36 8.364 -10.043 -1.609 1.00 0.00 C ATOM 511 CD LYS A 36 8.205 -11.304 -0.774 1.00 0.00 C ATOM 512 CE LYS A 36 9.543 -11.980 -0.525 1.00 0.00 C ATOM 513 NZ LYS A 36 10.109 -11.618 0.803 1.00 0.00 N ATOM 0 H LYS A 36 6.198 -10.558 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 36 7.864 -8.353 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.022 -11.328 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.554 -10.480 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.244 -9.493 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.503 -9.392 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.740 -11.054 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.535 -11.997 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.420 -13.061 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.245 -11.695 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.021 -12.099 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.250 -10.589 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.451 -11.913 1.553 1.00 0.00 H new ATOM 527 N PHE A 37 8.621 -10.117 -6.169 1.00 0.00 N ATOM 528 CA PHE A 37 9.377 -10.085 -7.415 1.00 0.00 C ATOM 529 C PHE A 37 8.972 -8.887 -8.268 1.00 0.00 C ATOM 530 O PHE A 37 9.784 -8.342 -9.017 1.00 0.00 O ATOM 531 CB PHE A 37 9.164 -11.382 -8.200 1.00 0.00 C ATOM 532 CG PHE A 37 10.402 -11.873 -8.895 1.00 0.00 C ATOM 533 CD1 PHE A 37 10.833 -11.281 -10.071 1.00 0.00 C ATOM 534 CD2 PHE A 37 11.134 -12.925 -8.371 1.00 0.00 C ATOM 535 CE1 PHE A 37 11.971 -11.732 -10.712 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.273 -13.380 -9.007 1.00 0.00 C ATOM 537 CZ PHE A 37 12.693 -12.782 -10.179 1.00 0.00 C ATOM 0 H PHE A 37 8.017 -10.932 -6.063 1.00 0.00 H new ATOM 0 HA PHE A 37 10.434 -9.989 -7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.809 -12.155 -7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.380 -11.224 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.274 -10.458 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.811 -13.396 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.296 -11.264 -11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.834 -14.202 -8.588 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.584 -13.135 -10.678 1.00 0.00 H new ATOM 547 N HIS A 38 7.711 -8.484 -8.152 1.00 0.00 N ATOM 548 CA HIS A 38 7.197 -7.350 -8.912 1.00 0.00 C ATOM 549 C HIS A 38 7.728 -6.032 -8.356 1.00 0.00 C ATOM 550 O HIS A 38 7.851 -5.046 -9.084 1.00 0.00 O ATOM 551 CB HIS A 38 5.668 -7.347 -8.890 1.00 0.00 C ATOM 552 CG HIS A 38 5.054 -8.363 -9.802 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.777 -9.167 -10.655 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.751 -8.701 -9.984 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.912 -9.949 -11.314 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.670 -9.706 -10.944 1.00 0.00 N ATOM 0 H HIS A 38 7.026 -8.926 -7.539 1.00 0.00 H new ATOM 0 HA HIS A 38 7.540 -7.451 -9.942 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.327 -7.532 -7.871 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.311 -6.356 -9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.912 -8.260 -9.466 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.195 -10.684 -12.053 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.825 -10.160 -11.290 1.00 0.00 H new ATOM 564 N LEU A 39 8.039 -6.019 -7.063 1.00 0.00 N ATOM 565 CA LEU A 39 8.556 -4.820 -6.412 1.00 0.00 C ATOM 566 C LEU A 39 9.825 -4.326 -7.100 1.00 0.00 C ATOM 567 O LEU A 39 10.056 -3.122 -7.206 1.00 0.00 O ATOM 568 CB LEU A 39 8.840 -5.100 -4.935 1.00 0.00 C ATOM 569 CG LEU A 39 7.599 -5.297 -4.063 1.00 0.00 C ATOM 570 CD1 LEU A 39 7.978 -5.925 -2.731 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.886 -3.971 -3.845 1.00 0.00 C ATOM 0 H LEU A 39 7.942 -6.825 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 39 7.798 -4.041 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.461 -5.993 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.423 -4.273 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 39 6.918 -5.973 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.083 -6.058 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.445 -6.894 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.678 -5.274 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.005 -4.129 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.560 -3.273 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.581 -3.559 -4.807 1.00 0.00 H new ATOM 583 N ARG A 40 10.643 -5.264 -7.565 1.00 0.00 N ATOM 584 CA ARG A 40 11.889 -4.925 -8.243 1.00 0.00 C ATOM 585 C ARG A 40 11.626 -4.070 -9.480 1.00 0.00 C ATOM 586 O ARG A 40 12.491 -3.306 -9.913 1.00 0.00 O ATOM 587 CB ARG A 40 12.641 -6.200 -8.636 1.00 0.00 C ATOM 588 CG ARG A 40 14.035 -6.293 -8.038 1.00 0.00 C ATOM 589 CD ARG A 40 14.811 -7.465 -8.616 1.00 0.00 C ATOM 590 NE ARG A 40 16.250 -7.209 -8.642 1.00 0.00 N ATOM 591 CZ ARG A 40 17.161 -8.128 -8.949 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.788 -9.365 -9.257 1.00 0.00 N ATOM 593 NH2 ARG A 40 18.449 -7.813 -8.950 1.00 0.00 N ATOM 0 H ARG A 40 10.466 -6.265 -7.485 1.00 0.00 H new ATOM 0 HA ARG A 40 12.503 -4.346 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.060 -7.066 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.717 -6.247 -9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.577 -5.367 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.962 -6.402 -6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.612 -8.359 -8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.460 -7.668 -9.628 1.00 0.00 H new ATOM 0 HE ARG A 40 16.575 -6.270 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.799 -9.614 -9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.491 -10.066 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.742 -6.865 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.146 -8.519 -9.186 1.00 0.00 H new ATOM 607 N ASP A 41 10.431 -4.203 -10.048 1.00 0.00 N ATOM 608 CA ASP A 41 10.060 -3.444 -11.237 1.00 0.00 C ATOM 609 C ASP A 41 9.680 -2.009 -10.877 1.00 0.00 C ATOM 610 O ASP A 41 10.139 -1.059 -11.511 1.00 0.00 O ATOM 611 CB ASP A 41 8.897 -4.129 -11.960 1.00 0.00 C ATOM 612 CG ASP A 41 9.294 -4.650 -13.328 1.00 0.00 C ATOM 613 OD1 ASP A 41 10.401 -5.218 -13.449 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.498 -4.490 -14.277 1.00 0.00 O ATOM 0 H ASP A 41 9.703 -4.829 -9.704 1.00 0.00 H new ATOM 0 HA ASP A 41 10.924 -3.412 -11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.531 -4.956 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.073 -3.423 -12.068 1.00 0.00 H new ATOM 619 N VAL A 42 8.838 -1.860 -9.860 1.00 0.00 N ATOM 620 CA VAL A 42 8.394 -0.542 -9.423 1.00 0.00 C ATOM 621 C VAL A 42 9.500 0.195 -8.673 1.00 0.00 C ATOM 622 O VAL A 42 9.630 1.415 -8.781 1.00 0.00 O ATOM 623 CB VAL A 42 7.152 -0.635 -8.518 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.921 -0.994 -9.336 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.375 -1.648 -7.405 1.00 0.00 C ATOM 0 H VAL A 42 8.450 -2.636 -9.323 1.00 0.00 H new ATOM 0 HA VAL A 42 8.137 0.015 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 42 6.985 0.340 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.053 -1.055 -8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.751 -0.228 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.076 -1.957 -9.823 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.486 -1.699 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.569 -2.629 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.230 -1.343 -6.801 1.00 0.00 H new ATOM 635 N THR A 43 10.293 -0.551 -7.912 1.00 0.00 N ATOM 636 CA THR A 43 11.386 0.036 -7.144 1.00 0.00 C ATOM 637 C THR A 43 12.498 0.524 -8.066 1.00 0.00 C ATOM 638 O THR A 43 12.797 1.717 -8.117 1.00 0.00 O ATOM 639 CB THR A 43 11.943 -0.984 -6.150 1.00 0.00 C ATOM 640 OG1 THR A 43 12.403 -2.142 -6.823 1.00 0.00 O ATOM 641 CG2 THR A 43 10.930 -1.426 -5.115 1.00 0.00 C ATOM 0 H THR A 43 10.200 -1.562 -7.810 1.00 0.00 H new ATOM 0 HA THR A 43 10.993 0.891 -6.595 1.00 0.00 H new ATOM 0 HB THR A 43 12.760 -0.473 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.641 -2.616 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.390 -2.149 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.593 -0.561 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.077 -1.886 -5.614 1.00 0.00 H new ATOM 649 N GLN A 44 13.109 -0.406 -8.793 1.00 0.00 N ATOM 650 CA GLN A 44 14.190 -0.070 -9.712 1.00 0.00 C ATOM 651 C GLN A 44 15.364 0.558 -8.967 1.00 0.00 C ATOM 652 O GLN A 44 16.088 1.387 -9.517 1.00 0.00 O ATOM 653 CB GLN A 44 13.687 0.886 -10.795 1.00 0.00 C ATOM 654 CG GLN A 44 13.056 0.180 -11.984 1.00 0.00 C ATOM 655 CD GLN A 44 12.403 1.143 -12.955 1.00 0.00 C ATOM 656 OE1 GLN A 44 13.033 1.607 -13.906 1.00 0.00 O ATOM 657 NE2 GLN A 44 11.132 1.450 -12.719 1.00 0.00 N ATOM 0 H GLN A 44 12.874 -1.398 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 44 14.534 -0.992 -10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.956 1.566 -10.357 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.520 1.496 -11.145 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.820 -0.395 -12.507 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.311 -0.530 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.649 1.042 -11.919 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.639 2.094 -13.338 1.00 0.00 H new ATOM 666 N PHE A 45 15.544 0.156 -7.714 1.00 0.00 N ATOM 667 CA PHE A 45 16.630 0.680 -6.892 1.00 0.00 C ATOM 668 C PHE A 45 17.746 -0.350 -6.751 1.00 0.00 C ATOM 669 O PHE A 45 17.622 -1.482 -7.219 1.00 0.00 O ATOM 670 CB PHE A 45 16.106 1.075 -5.510 1.00 0.00 C ATOM 671 CG PHE A 45 16.734 2.325 -4.963 1.00 0.00 C ATOM 672 CD1 PHE A 45 16.362 3.570 -5.445 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.696 2.255 -3.969 1.00 0.00 C ATOM 674 CE1 PHE A 45 16.938 4.722 -4.944 1.00 0.00 C ATOM 675 CE2 PHE A 45 18.275 3.403 -3.464 1.00 0.00 C ATOM 676 CZ PHE A 45 17.896 4.639 -3.952 1.00 0.00 C ATOM 0 H PHE A 45 14.953 -0.530 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 45 17.034 1.564 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.027 1.216 -5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.285 0.255 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.614 3.641 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.997 1.292 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.639 5.686 -5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.023 3.335 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.348 5.538 -3.559 1.00 0.00 H new ATOM 686 N HIS A 46 18.835 0.048 -6.102 1.00 0.00 N ATOM 687 CA HIS A 46 19.970 -0.844 -5.899 1.00 0.00 C ATOM 688 C HIS A 46 19.617 -1.955 -4.915 1.00 0.00 C ATOM 689 O HIS A 46 20.101 -1.978 -3.783 1.00 0.00 O ATOM 690 CB HIS A 46 21.183 -0.053 -5.397 1.00 0.00 C ATOM 691 CG HIS A 46 22.322 -0.025 -6.369 1.00 0.00 C ATOM 692 ND1 HIS A 46 22.597 -1.040 -7.260 1.00 0.00 N ATOM 693 CD2 HIS A 46 23.268 0.925 -6.582 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.677 -0.684 -7.968 1.00 0.00 C ATOM 695 NE2 HIS A 46 24.121 0.501 -7.596 1.00 0.00 N ATOM 0 H HIS A 46 18.955 0.981 -5.708 1.00 0.00 H new ATOM 0 HA HIS A 46 20.221 -1.303 -6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 46 20.875 0.970 -5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 46 21.527 -0.488 -4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 46 23.346 1.861 -6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 46 24.126 -1.288 -8.742 1.00 0.00 H new ATOM 0 HE2 HIS A 46 24.924 1.003 -7.974 1.00 0.00 H new ATOM 703 N LEU A 47 18.764 -2.875 -5.355 1.00 0.00 N ATOM 704 CA LEU A 47 18.341 -3.990 -4.515 1.00 0.00 C ATOM 705 C LEU A 47 18.676 -5.324 -5.173 1.00 0.00 C ATOM 706 O LEU A 47 18.050 -5.717 -6.157 1.00 0.00 O ATOM 707 CB LEU A 47 16.839 -3.907 -4.241 1.00 0.00 C ATOM 708 CG LEU A 47 16.341 -2.541 -3.764 1.00 0.00 C ATOM 709 CD1 LEU A 47 15.005 -2.203 -4.407 1.00 0.00 C ATOM 710 CD2 LEU A 47 16.226 -2.515 -2.247 1.00 0.00 C ATOM 0 H LEU A 47 18.352 -2.870 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 47 18.880 -3.926 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.304 -4.174 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.581 -4.653 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 47 17.067 -1.787 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.668 -1.228 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.119 -2.178 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.269 -2.960 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.871 -1.536 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.522 -3.281 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.203 -2.709 -1.805 1.00 0.00 H new ATOM 722 N ALA A 48 19.668 -6.016 -4.623 1.00 0.00 N ATOM 723 CA ALA A 48 20.086 -7.307 -5.157 1.00 0.00 C ATOM 724 C ALA A 48 21.017 -8.027 -4.189 1.00 0.00 C ATOM 725 O ALA A 48 21.852 -7.401 -3.534 1.00 0.00 O ATOM 726 CB ALA A 48 20.763 -7.124 -6.507 1.00 0.00 C ATOM 0 H ALA A 48 20.197 -5.705 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 48 19.197 -7.923 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.070 -8.095 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 48 20.065 -6.659 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.639 -6.486 -6.391 1.00 0.00 H new ATOM 732 N ARG A 49 20.871 -9.345 -4.106 1.00 0.00 N ATOM 733 CA ARG A 49 21.700 -10.152 -3.218 1.00 0.00 C ATOM 734 C ARG A 49 21.495 -9.750 -1.761 1.00 0.00 C ATOM 735 O ARG A 49 22.088 -8.782 -1.284 1.00 0.00 O ATOM 736 CB ARG A 49 23.176 -10.010 -3.597 1.00 0.00 C ATOM 737 CG ARG A 49 23.934 -11.328 -3.594 1.00 0.00 C ATOM 738 CD ARG A 49 24.935 -11.398 -4.735 1.00 0.00 C ATOM 739 NE ARG A 49 25.302 -12.775 -5.059 1.00 0.00 N ATOM 740 CZ ARG A 49 26.295 -13.105 -5.880 1.00 0.00 C ATOM 741 NH1 ARG A 49 27.024 -12.161 -6.464 1.00 0.00 N ATOM 742 NH2 ARG A 49 26.562 -14.381 -6.119 1.00 0.00 N ATOM 0 H ARG A 49 20.186 -9.877 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 49 21.400 -11.194 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 23.247 -9.562 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 49 23.657 -9.322 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 49 24.455 -11.447 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 49 23.228 -12.155 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 49 24.512 -10.918 -5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 49 25.831 -10.838 -4.466 1.00 0.00 H new ATOM 0 HE ARG A 49 24.764 -13.528 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 49 26.824 -11.177 -6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 49 27.784 -12.420 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 49 26.006 -15.111 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 49 27.324 -14.633 -6.749 1.00 0.00 H new ATOM 756 N GLY A 50 20.651 -10.498 -1.060 1.00 0.00 N ATOM 757 CA GLY A 50 20.382 -10.207 0.337 1.00 0.00 C ATOM 758 C GLY A 50 19.616 -8.912 0.526 1.00 0.00 C ATOM 759 O GLY A 50 19.785 -8.225 1.533 1.00 0.00 O ATOM 0 H GLY A 50 20.147 -11.302 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.813 -11.028 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.325 -10.150 0.880 1.00 0.00 H new ATOM 763 N GLU A 51 18.770 -8.580 -0.443 1.00 0.00 N ATOM 764 CA GLU A 51 17.975 -7.358 -0.377 1.00 0.00 C ATOM 765 C GLU A 51 16.484 -7.677 -0.408 1.00 0.00 C ATOM 766 O GLU A 51 15.774 -7.479 0.578 1.00 0.00 O ATOM 767 CB GLU A 51 18.333 -6.425 -1.534 1.00 0.00 C ATOM 768 CG GLU A 51 18.319 -4.953 -1.154 1.00 0.00 C ATOM 769 CD GLU A 51 19.710 -4.396 -0.925 1.00 0.00 C ATOM 770 OE1 GLU A 51 20.515 -5.068 -0.249 1.00 0.00 O ATOM 771 OE2 GLU A 51 19.995 -3.286 -1.423 1.00 0.00 O ATOM 0 H GLU A 51 18.617 -9.139 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 51 18.203 -6.858 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.323 -6.686 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.631 -6.587 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.829 -4.383 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.725 -4.821 -0.249 1.00 0.00 H new ATOM 778 N LEU A 52 16.014 -8.173 -1.549 1.00 0.00 N ATOM 779 CA LEU A 52 14.606 -8.520 -1.709 1.00 0.00 C ATOM 780 C LEU A 52 14.220 -9.667 -0.782 1.00 0.00 C ATOM 781 O LEU A 52 13.100 -9.715 -0.272 1.00 0.00 O ATOM 782 CB LEU A 52 14.316 -8.902 -3.162 1.00 0.00 C ATOM 783 CG LEU A 52 12.894 -8.604 -3.638 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.646 -7.104 -3.676 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.650 -9.222 -5.005 1.00 0.00 C ATOM 0 H LEU A 52 16.587 -8.343 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 52 14.009 -7.647 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.017 -8.373 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.509 -9.967 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 52 12.194 -9.048 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.629 -6.912 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.778 -6.688 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.353 -6.636 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.633 -9.000 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.358 -8.808 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.784 -10.302 -4.945 1.00 0.00 H new ATOM 797 N GLU A 53 15.152 -10.589 -0.568 1.00 0.00 N ATOM 798 CA GLU A 53 14.908 -11.737 0.298 1.00 0.00 C ATOM 799 C GLU A 53 14.746 -11.297 1.750 1.00 0.00 C ATOM 800 O GLU A 53 14.012 -11.917 2.518 1.00 0.00 O ATOM 801 CB GLU A 53 16.054 -12.743 0.183 1.00 0.00 C ATOM 802 CG GLU A 53 15.707 -14.125 0.713 1.00 0.00 C ATOM 803 CD GLU A 53 16.107 -15.234 -0.240 1.00 0.00 C ATOM 804 OE1 GLU A 53 17.306 -15.326 -0.573 1.00 0.00 O ATOM 805 OE2 GLU A 53 15.219 -16.010 -0.655 1.00 0.00 O ATOM 0 H GLU A 53 16.084 -10.564 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 53 13.983 -12.214 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.348 -12.828 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.918 -12.361 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.204 -14.278 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.634 -14.180 0.898 1.00 0.00 H new ATOM 812 N SER A 54 15.435 -10.222 2.117 1.00 0.00 N ATOM 813 CA SER A 54 15.368 -9.697 3.476 1.00 0.00 C ATOM 814 C SER A 54 14.058 -8.951 3.709 1.00 0.00 C ATOM 815 O SER A 54 13.556 -8.893 4.833 1.00 0.00 O ATOM 816 CB SER A 54 16.553 -8.768 3.745 1.00 0.00 C ATOM 817 OG SER A 54 16.594 -8.375 5.106 1.00 0.00 O ATOM 0 H SER A 54 16.047 -9.697 1.492 1.00 0.00 H new ATOM 0 HA SER A 54 15.412 -10.540 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.482 -9.273 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.478 -7.885 3.110 1.00 0.00 H new ATOM 0 HG SER A 54 17.361 -7.783 5.253 1.00 0.00 H new ATOM 823 N LEU A 55 13.507 -8.382 2.641 1.00 0.00 N ATOM 824 CA LEU A 55 12.254 -7.640 2.730 1.00 0.00 C ATOM 825 C LEU A 55 11.137 -8.518 3.285 1.00 0.00 C ATOM 826 O LEU A 55 11.153 -9.738 3.119 1.00 0.00 O ATOM 827 CB LEU A 55 11.857 -7.101 1.353 1.00 0.00 C ATOM 828 CG LEU A 55 12.492 -5.762 0.976 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.201 -5.426 -0.479 1.00 0.00 C ATOM 830 CD2 LEU A 55 11.987 -4.657 1.891 1.00 0.00 C ATOM 0 H LEU A 55 13.908 -8.421 1.704 1.00 0.00 H new ATOM 0 HA LEU A 55 12.406 -6.803 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.128 -7.840 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.773 -6.994 1.320 1.00 0.00 H new ATOM 0 HG LEU A 55 13.572 -5.845 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.660 -4.470 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.611 -6.205 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.123 -5.361 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.449 -3.711 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.904 -4.574 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.245 -4.893 2.923 1.00 0.00 H new ATOM 842 N SER A 56 10.169 -7.891 3.943 1.00 0.00 N ATOM 843 CA SER A 56 9.044 -8.615 4.523 1.00 0.00 C ATOM 844 C SER A 56 7.788 -7.749 4.533 1.00 0.00 C ATOM 845 O SER A 56 7.797 -6.618 4.049 1.00 0.00 O ATOM 846 CB SER A 56 9.380 -9.065 5.946 1.00 0.00 C ATOM 847 OG SER A 56 10.247 -10.186 5.936 1.00 0.00 O ATOM 0 H SER A 56 10.140 -6.882 4.088 1.00 0.00 H new ATOM 0 HA SER A 56 8.852 -9.494 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.848 -8.244 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.462 -9.316 6.477 1.00 0.00 H new ATOM 0 HG SER A 56 10.611 -10.310 5.035 1.00 0.00 H new ATOM 853 N GLN A 57 6.707 -8.290 5.088 1.00 0.00 N ATOM 854 CA GLN A 57 5.442 -7.567 5.161 1.00 0.00 C ATOM 855 C GLN A 57 5.605 -6.261 5.931 1.00 0.00 C ATOM 856 O GLN A 57 4.913 -5.279 5.660 1.00 0.00 O ATOM 857 CB GLN A 57 4.373 -8.436 5.828 1.00 0.00 C ATOM 858 CG GLN A 57 3.590 -9.297 4.848 1.00 0.00 C ATOM 859 CD GLN A 57 3.402 -10.717 5.342 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.371 -11.441 5.570 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.149 -11.124 5.511 1.00 0.00 N ATOM 0 H GLN A 57 6.682 -9.226 5.493 1.00 0.00 H new ATOM 0 HA GLN A 57 5.127 -7.331 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.850 -9.082 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.679 -7.793 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.614 -8.845 4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.110 -9.315 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.375 -10.490 5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.960 -12.070 5.842 1.00 0.00 H new ATOM 870 N VAL A 58 6.523 -6.257 6.891 1.00 0.00 N ATOM 871 CA VAL A 58 6.777 -5.072 7.701 1.00 0.00 C ATOM 872 C VAL A 58 7.977 -4.293 7.173 1.00 0.00 C ATOM 873 O VAL A 58 7.922 -3.071 7.031 1.00 0.00 O ATOM 874 CB VAL A 58 7.030 -5.442 9.174 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.097 -4.192 10.037 1.00 0.00 C ATOM 876 CG2 VAL A 58 5.953 -6.391 9.678 1.00 0.00 C ATOM 0 H VAL A 58 7.104 -7.062 7.127 1.00 0.00 H new ATOM 0 HA VAL A 58 5.885 -4.449 7.638 1.00 0.00 H new ATOM 0 HB VAL A 58 7.991 -5.951 9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.276 -4.475 11.074 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.909 -3.553 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.154 -3.650 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.148 -6.642 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.978 -5.911 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.961 -7.301 9.078 1.00 0.00 H new ATOM 886 N ASP A 59 9.059 -5.008 6.885 1.00 0.00 N ATOM 887 CA ASP A 59 10.274 -4.384 6.374 1.00 0.00 C ATOM 888 C ASP A 59 10.006 -3.666 5.054 1.00 0.00 C ATOM 889 O ASP A 59 10.642 -2.659 4.744 1.00 0.00 O ATOM 890 CB ASP A 59 11.369 -5.435 6.183 1.00 0.00 C ATOM 891 CG ASP A 59 12.111 -5.737 7.470 1.00 0.00 C ATOM 892 OD1 ASP A 59 12.562 -4.779 8.134 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.242 -6.930 7.814 1.00 0.00 O ATOM 0 H ASP A 59 9.120 -6.020 6.997 1.00 0.00 H new ATOM 0 HA ASP A 59 10.609 -3.647 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.924 -6.353 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.077 -5.085 5.432 1.00 0.00 H new ATOM 898 N LEU A 60 9.061 -4.193 4.282 1.00 0.00 N ATOM 899 CA LEU A 60 8.711 -3.602 2.995 1.00 0.00 C ATOM 900 C LEU A 60 8.076 -2.227 3.181 1.00 0.00 C ATOM 901 O LEU A 60 8.477 -1.255 2.539 1.00 0.00 O ATOM 902 CB LEU A 60 7.753 -4.520 2.233 1.00 0.00 C ATOM 903 CG LEU A 60 7.337 -4.015 0.850 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.562 -3.714 0.001 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.445 -5.037 0.159 1.00 0.00 C ATOM 0 H LEU A 60 8.525 -5.026 4.524 1.00 0.00 H new ATOM 0 HA LEU A 60 9.627 -3.483 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.223 -5.497 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.856 -4.665 2.835 1.00 0.00 H new ATOM 0 HG LEU A 60 6.772 -3.091 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.246 -3.356 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.165 -2.949 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.154 -4.621 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.157 -4.663 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.987 -5.976 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.551 -5.205 0.759 1.00 0.00 H new ATOM 917 N ALA A 61 7.086 -2.153 4.063 1.00 0.00 N ATOM 918 CA ALA A 61 6.396 -0.898 4.334 1.00 0.00 C ATOM 919 C ALA A 61 7.363 0.160 4.855 1.00 0.00 C ATOM 920 O ALA A 61 7.181 1.354 4.617 1.00 0.00 O ATOM 921 CB ALA A 61 5.267 -1.120 5.330 1.00 0.00 C ATOM 0 H ALA A 61 6.743 -2.948 4.603 1.00 0.00 H new ATOM 0 HA ALA A 61 5.973 -0.536 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.761 -0.174 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.555 -1.836 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.676 -1.509 6.262 1.00 0.00 H new ATOM 927 N SER A 62 8.392 -0.288 5.568 1.00 0.00 N ATOM 928 CA SER A 62 9.390 0.621 6.123 1.00 0.00 C ATOM 929 C SER A 62 10.387 1.054 5.053 1.00 0.00 C ATOM 930 O SER A 62 10.908 2.169 5.090 1.00 0.00 O ATOM 931 CB SER A 62 10.128 -0.048 7.284 1.00 0.00 C ATOM 932 OG SER A 62 9.269 -0.239 8.394 1.00 0.00 O ATOM 0 H SER A 62 8.557 -1.273 5.775 1.00 0.00 H new ATOM 0 HA SER A 62 8.874 1.507 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.527 -1.009 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.978 0.566 7.580 1.00 0.00 H new ATOM 0 HG SER A 62 9.765 -0.670 9.121 1.00 0.00 H new ATOM 938 N LYS A 63 10.648 0.163 4.100 1.00 0.00 N ATOM 939 CA LYS A 63 11.582 0.453 3.019 1.00 0.00 C ATOM 940 C LYS A 63 10.937 1.351 1.969 1.00 0.00 C ATOM 941 O LYS A 63 11.595 2.212 1.385 1.00 0.00 O ATOM 942 CB LYS A 63 12.062 -0.847 2.371 1.00 0.00 C ATOM 943 CG LYS A 63 13.110 -1.585 3.190 1.00 0.00 C ATOM 944 CD LYS A 63 14.485 -1.502 2.546 1.00 0.00 C ATOM 945 CE LYS A 63 15.224 -0.244 2.971 1.00 0.00 C ATOM 946 NZ LYS A 63 16.536 -0.110 2.281 1.00 0.00 N ATOM 0 H LYS A 63 10.226 -0.764 4.055 1.00 0.00 H new ATOM 0 HA LYS A 63 12.438 0.978 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.206 -1.503 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.474 -0.622 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.152 -1.162 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.820 -2.630 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.070 -2.379 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.381 -1.515 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.609 0.629 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.381 -0.262 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.008 0.761 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.133 -0.930 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.385 -0.066 1.253 1.00 0.00 H new ATOM 960 N LEU A 64 9.646 1.142 1.732 1.00 0.00 N ATOM 961 CA LEU A 64 8.911 1.932 0.752 1.00 0.00 C ATOM 962 C LEU A 64 8.872 3.402 1.154 1.00 0.00 C ATOM 963 O LEU A 64 8.930 4.291 0.305 1.00 0.00 O ATOM 964 CB LEU A 64 7.487 1.394 0.598 1.00 0.00 C ATOM 965 CG LEU A 64 7.377 0.047 -0.118 1.00 0.00 C ATOM 966 CD1 LEU A 64 5.933 -0.427 -0.145 1.00 0.00 C ATOM 967 CD2 LEU A 64 7.934 0.149 -1.531 1.00 0.00 C ATOM 0 H LEU A 64 9.088 0.432 2.206 1.00 0.00 H new ATOM 0 HA LEU A 64 9.428 1.851 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.042 1.299 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.895 2.128 0.051 1.00 0.00 H new ATOM 0 HG LEU A 64 7.967 -0.686 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.875 -1.387 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.568 -0.539 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.320 0.304 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.848 -0.818 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.371 0.895 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.983 0.443 -1.488 1.00 0.00 H new ATOM 979 N ILE A 65 8.773 3.651 2.457 1.00 0.00 N ATOM 980 CA ILE A 65 8.726 5.014 2.973 1.00 0.00 C ATOM 981 C ILE A 65 10.129 5.581 3.153 1.00 0.00 C ATOM 982 O ILE A 65 10.345 6.785 3.018 1.00 0.00 O ATOM 983 CB ILE A 65 7.981 5.079 4.320 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.647 4.336 4.227 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.761 6.526 4.734 1.00 0.00 C ATOM 986 CD1 ILE A 65 6.031 4.031 5.576 1.00 0.00 C ATOM 0 H ILE A 65 8.724 2.927 3.174 1.00 0.00 H new ATOM 0 HA ILE A 65 8.186 5.612 2.239 1.00 0.00 H new ATOM 0 HB ILE A 65 8.593 4.593 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.947 4.934 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.797 3.402 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.234 6.555 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.724 7.026 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.167 7.035 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.088 3.504 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.712 3.407 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.849 4.963 6.112 1.00 0.00 H new ATOM 998 N SER A 66 11.081 4.705 3.458 1.00 0.00 N ATOM 999 CA SER A 66 12.466 5.120 3.658 1.00 0.00 C ATOM 1000 C SER A 66 13.110 5.520 2.334 1.00 0.00 C ATOM 1001 O SER A 66 13.967 6.402 2.292 1.00 0.00 O ATOM 1002 CB SER A 66 13.268 3.993 4.309 1.00 0.00 C ATOM 1003 OG SER A 66 14.483 4.478 4.853 1.00 0.00 O ATOM 0 H SER A 66 10.920 3.704 3.572 1.00 0.00 H new ATOM 0 HA SER A 66 12.468 5.987 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.674 3.528 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.480 3.220 3.570 1.00 0.00 H new ATOM 0 HG SER A 66 14.976 3.738 5.264 1.00 0.00 H new ATOM 1009 N MET A 67 12.691 4.865 1.257 1.00 0.00 N ATOM 1010 CA MET A 67 13.229 5.154 -0.069 1.00 0.00 C ATOM 1011 C MET A 67 12.482 6.315 -0.718 1.00 0.00 C ATOM 1012 O MET A 67 13.084 7.325 -1.084 1.00 0.00 O ATOM 1013 CB MET A 67 13.138 3.912 -0.960 1.00 0.00 C ATOM 1014 CG MET A 67 14.152 2.837 -0.608 1.00 0.00 C ATOM 1015 SD MET A 67 14.607 1.822 -2.028 1.00 0.00 S ATOM 1016 CE MET A 67 13.095 0.896 -2.280 1.00 0.00 C ATOM 0 H MET A 67 11.982 4.132 1.275 1.00 0.00 H new ATOM 0 HA MET A 67 14.276 5.437 0.044 1.00 0.00 H new ATOM 0 HB2 MET A 67 12.135 3.493 -0.884 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.281 4.209 -1.999 1.00 0.00 H new ATOM 0 HG2 MET A 67 15.047 3.307 -0.200 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.742 2.198 0.174 1.00 0.00 H new ATOM 0 HE1 MET A 67 13.337 -0.148 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.476 0.959 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.550 1.312 -3.128 1.00 0.00 H new ATOM 1026 N TYR A 68 11.169 6.164 -0.858 1.00 0.00 N ATOM 1027 CA TYR A 68 10.341 7.200 -1.463 1.00 0.00 C ATOM 1028 C TYR A 68 9.606 8.003 -0.393 1.00 0.00 C ATOM 1029 O TYR A 68 9.875 9.188 -0.198 1.00 0.00 O ATOM 1030 CB TYR A 68 9.335 6.578 -2.431 1.00 0.00 C ATOM 1031 CG TYR A 68 9.960 5.631 -3.429 1.00 0.00 C ATOM 1032 CD1 TYR A 68 10.730 6.109 -4.481 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.780 4.257 -3.319 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.302 5.246 -5.397 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.351 3.388 -4.230 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.111 3.887 -5.266 1.00 0.00 C ATOM 1037 OH TYR A 68 11.680 3.025 -6.174 1.00 0.00 O ATOM 0 H TYR A 68 10.656 5.334 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 68 10.994 7.876 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.578 6.042 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.823 7.375 -2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 68 10.885 7.173 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.185 3.862 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.896 5.635 -6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.202 2.323 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 68 12.045 3.536 -6.926 1.00 0.00 H new ATOM 1047 N GLY A 69 8.679 7.347 0.297 1.00 0.00 N ATOM 1048 CA GLY A 69 7.919 8.016 1.339 1.00 0.00 C ATOM 1049 C GLY A 69 6.560 7.382 1.562 1.00 0.00 C ATOM 1050 O GLY A 69 6.312 6.258 1.128 1.00 0.00 O ATOM 0 H GLY A 69 8.440 6.366 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.485 7.992 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.788 9.065 1.073 1.00 0.00 H new ATOM 1054 N ALA A 70 5.677 8.106 2.242 1.00 0.00 N ATOM 1055 CA ALA A 70 4.336 7.609 2.523 1.00 0.00 C ATOM 1056 C ALA A 70 3.318 8.132 1.510 1.00 0.00 C ATOM 1057 O ALA A 70 2.131 7.816 1.593 1.00 0.00 O ATOM 1058 CB ALA A 70 3.919 7.992 3.935 1.00 0.00 C ATOM 0 H ALA A 70 5.866 9.039 2.608 1.00 0.00 H new ATOM 0 HA ALA A 70 4.359 6.523 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.916 7.615 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.617 7.558 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.925 9.077 4.034 1.00 0.00 H new ATOM 1064 N GLN A 71 3.784 8.935 0.555 1.00 0.00 N ATOM 1065 CA GLN A 71 2.906 9.494 -0.466 1.00 0.00 C ATOM 1066 C GLN A 71 3.054 8.742 -1.785 1.00 0.00 C ATOM 1067 O GLN A 71 2.104 8.640 -2.561 1.00 0.00 O ATOM 1068 CB GLN A 71 3.215 10.979 -0.676 1.00 0.00 C ATOM 1069 CG GLN A 71 2.532 11.889 0.331 1.00 0.00 C ATOM 1070 CD GLN A 71 3.445 12.990 0.834 1.00 0.00 C ATOM 1071 OE1 GLN A 71 4.276 13.511 0.091 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.294 13.351 2.103 1.00 0.00 N ATOM 0 H GLN A 71 4.762 9.211 0.469 1.00 0.00 H new ATOM 0 HA GLN A 71 1.877 9.387 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.293 11.129 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.908 11.267 -1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.650 12.335 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.186 11.294 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.592 12.892 2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.880 14.087 2.497 1.00 0.00 H new ATOM 1081 N GLU A 72 4.250 8.218 -2.032 1.00 0.00 N ATOM 1082 CA GLU A 72 4.521 7.476 -3.257 1.00 0.00 C ATOM 1083 C GLU A 72 4.350 5.976 -3.037 1.00 0.00 C ATOM 1084 O GLU A 72 3.982 5.242 -3.954 1.00 0.00 O ATOM 1085 CB GLU A 72 5.937 7.775 -3.756 1.00 0.00 C ATOM 1086 CG GLU A 72 5.985 8.265 -5.195 1.00 0.00 C ATOM 1087 CD GLU A 72 7.371 8.163 -5.799 1.00 0.00 C ATOM 1088 OE1 GLU A 72 7.886 7.031 -5.918 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.943 9.216 -6.153 1.00 0.00 O ATOM 0 H GLU A 72 5.047 8.294 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 72 3.802 7.796 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.390 8.527 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.542 6.873 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.287 7.683 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.651 9.302 -5.233 1.00 0.00 H new ATOM 1096 N ALA A 73 4.619 5.527 -1.815 1.00 0.00 N ATOM 1097 CA ALA A 73 4.496 4.114 -1.475 1.00 0.00 C ATOM 1098 C ALA A 73 3.088 3.599 -1.756 1.00 0.00 C ATOM 1099 O ALA A 73 2.910 2.572 -2.412 1.00 0.00 O ATOM 1100 CB ALA A 73 4.859 3.890 -0.015 1.00 0.00 C ATOM 0 H ALA A 73 4.924 6.121 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 73 5.190 3.554 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.763 2.831 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.887 4.210 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.188 4.469 0.620 1.00 0.00 H new ATOM 1106 N VAL A 74 2.088 4.317 -1.255 1.00 0.00 N ATOM 1107 CA VAL A 74 0.697 3.932 -1.451 1.00 0.00 C ATOM 1108 C VAL A 74 0.346 3.872 -2.935 1.00 0.00 C ATOM 1109 O VAL A 74 -0.517 3.096 -3.347 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.262 4.913 -0.749 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.689 4.389 -0.791 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.182 5.160 0.685 1.00 0.00 C ATOM 0 H VAL A 74 2.216 5.169 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 74 0.579 2.942 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.234 5.863 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.351 5.096 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.003 4.270 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.738 3.425 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.507 5.855 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.186 4.217 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.186 5.585 0.687 1.00 0.00 H new ATOM 1122 N ARG A 75 1.017 4.696 -3.731 1.00 0.00 N ATOM 1123 CA ARG A 75 0.775 4.737 -5.170 1.00 0.00 C ATOM 1124 C ARG A 75 1.474 3.577 -5.875 1.00 0.00 C ATOM 1125 O ARG A 75 0.942 3.006 -6.826 1.00 0.00 O ATOM 1126 CB ARG A 75 1.256 6.068 -5.751 1.00 0.00 C ATOM 1127 CG ARG A 75 0.326 6.642 -6.807 1.00 0.00 C ATOM 1128 CD ARG A 75 0.717 8.062 -7.182 1.00 0.00 C ATOM 1129 NE ARG A 75 1.985 8.107 -7.906 1.00 0.00 N ATOM 1130 CZ ARG A 75 2.725 9.205 -8.039 1.00 0.00 C ATOM 1131 NH1 ARG A 75 2.328 10.350 -7.498 1.00 0.00 N ATOM 1132 NH2 ARG A 75 3.866 9.159 -8.714 1.00 0.00 N ATOM 0 H ARG A 75 1.733 5.345 -3.405 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.298 4.643 -5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.363 6.790 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.245 5.928 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.349 6.011 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.699 6.632 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.067 8.504 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.793 8.668 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 75 2.323 7.246 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.452 10.391 -6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.899 11.189 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.177 8.282 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.433 10.001 -8.816 1.00 0.00 H new ATOM 1146 N VAL A 76 2.668 3.236 -5.401 1.00 0.00 N ATOM 1147 CA VAL A 76 3.440 2.146 -5.988 1.00 0.00 C ATOM 1148 C VAL A 76 2.688 0.823 -5.888 1.00 0.00 C ATOM 1149 O VAL A 76 2.615 0.065 -6.854 1.00 0.00 O ATOM 1150 CB VAL A 76 4.811 1.997 -5.303 1.00 0.00 C ATOM 1151 CG1 VAL A 76 5.673 0.988 -6.047 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.513 3.345 -5.210 1.00 0.00 C ATOM 0 H VAL A 76 3.122 3.698 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 76 3.592 2.396 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 76 4.652 1.627 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.638 0.896 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.174 0.019 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.825 1.325 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.480 3.219 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.661 3.748 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.901 4.035 -4.628 1.00 0.00 H new ATOM 1162 N VAL A 77 2.131 0.552 -4.711 1.00 0.00 N ATOM 1163 CA VAL A 77 1.386 -0.681 -4.485 1.00 0.00 C ATOM 1164 C VAL A 77 0.124 -0.726 -5.340 1.00 0.00 C ATOM 1165 O VAL A 77 -0.275 -1.788 -5.821 1.00 0.00 O ATOM 1166 CB VAL A 77 0.996 -0.838 -3.003 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.360 -2.198 -2.758 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.208 -0.639 -2.105 1.00 0.00 C ATOM 0 H VAL A 77 2.182 1.169 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 77 2.042 -1.504 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 77 0.262 -0.070 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.092 -2.290 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.536 -2.296 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.068 -2.984 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.911 -0.754 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.968 -1.381 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.614 0.361 -2.258 1.00 0.00 H new ATOM 1178 N SER A 78 -0.501 0.431 -5.525 1.00 0.00 N ATOM 1179 CA SER A 78 -1.720 0.524 -6.321 1.00 0.00 C ATOM 1180 C SER A 78 -1.479 0.043 -7.748 1.00 0.00 C ATOM 1181 O SER A 78 -2.383 -0.484 -8.397 1.00 0.00 O ATOM 1182 CB SER A 78 -2.236 1.964 -6.337 1.00 0.00 C ATOM 1183 OG SER A 78 -3.561 2.027 -6.832 1.00 0.00 O ATOM 0 H SER A 78 -0.184 1.318 -5.135 1.00 0.00 H new ATOM 0 HA SER A 78 -2.471 -0.119 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.202 2.377 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.584 2.580 -6.956 1.00 0.00 H new ATOM 0 HG SER A 78 -4.047 2.744 -6.375 1.00 0.00 H new ATOM 1189 N ARG A 79 -0.255 0.227 -8.231 1.00 0.00 N ATOM 1190 CA ARG A 79 0.103 -0.188 -9.583 1.00 0.00 C ATOM 1191 C ARG A 79 0.472 -1.668 -9.620 1.00 0.00 C ATOM 1192 O ARG A 79 0.271 -2.342 -10.631 1.00 0.00 O ATOM 1193 CB ARG A 79 1.271 0.652 -10.104 1.00 0.00 C ATOM 1194 CG ARG A 79 0.851 2.008 -10.647 1.00 0.00 C ATOM 1195 CD ARG A 79 1.735 2.442 -11.804 1.00 0.00 C ATOM 1196 NE ARG A 79 3.139 2.543 -11.412 1.00 0.00 N ATOM 1197 CZ ARG A 79 3.626 3.512 -10.641 1.00 0.00 C ATOM 1198 NH1 ARG A 79 2.828 4.465 -10.176 1.00 0.00 N ATOM 1199 NH2 ARG A 79 4.916 3.528 -10.332 1.00 0.00 N ATOM 0 H ARG A 79 0.505 0.660 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.764 -0.032 -10.225 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.990 0.800 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.784 0.098 -10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.187 1.963 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.900 2.751 -9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.637 1.729 -12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.393 3.406 -12.180 1.00 0.00 H new ATOM 0 HE ARG A 79 3.784 1.828 -11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.835 4.457 -10.409 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.208 5.205 -9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.534 2.798 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.290 4.271 -9.741 1.00 0.00 H new ATOM 1213 N SER A 80 1.013 -2.168 -8.513 1.00 0.00 N ATOM 1214 CA SER A 80 1.411 -3.568 -8.422 1.00 0.00 C ATOM 1215 C SER A 80 0.195 -4.470 -8.229 1.00 0.00 C ATOM 1216 O SER A 80 0.186 -5.618 -8.673 1.00 0.00 O ATOM 1217 CB SER A 80 2.395 -3.766 -7.268 1.00 0.00 C ATOM 1218 OG SER A 80 3.395 -4.711 -7.607 1.00 0.00 O ATOM 0 H SER A 80 1.186 -1.625 -7.667 1.00 0.00 H new ATOM 0 HA SER A 80 1.898 -3.842 -9.358 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.861 -2.813 -7.016 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.858 -4.103 -6.381 1.00 0.00 H new ATOM 0 HG SER A 80 4.012 -4.818 -6.854 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.827 -3.943 -7.563 1.00 0.00 N ATOM 1225 CA LEU A 81 -2.047 -4.702 -7.310 1.00 0.00 C ATOM 1226 C LEU A 81 -2.842 -4.900 -8.597 1.00 0.00 C ATOM 1227 O LEU A 81 -3.409 -5.967 -8.829 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.910 -3.988 -6.269 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.317 -3.941 -4.859 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.128 -3.011 -3.971 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.260 -5.338 -4.258 1.00 0.00 C ATOM 0 H LEU A 81 -0.835 -2.994 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.762 -5.682 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.089 -2.967 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.880 -4.483 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.300 -3.553 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.692 -2.990 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.119 -2.006 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.156 -3.370 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.836 -5.286 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.267 -5.753 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.637 -5.978 -4.883 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.880 -3.864 -9.429 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.608 -3.924 -10.691 1.00 0.00 C ATOM 1245 C LEU A 82 -3.066 -5.040 -11.580 1.00 0.00 C ATOM 1246 O LEU A 82 -3.826 -5.739 -12.248 1.00 0.00 O ATOM 1247 CB LEU A 82 -3.514 -2.583 -11.421 1.00 0.00 C ATOM 1248 CG LEU A 82 -4.287 -1.436 -10.768 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.997 -0.123 -11.478 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.780 -1.729 -10.775 1.00 0.00 C ATOM 0 H LEU A 82 -2.415 -2.973 -9.252 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.654 -4.137 -10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.464 -2.299 -11.494 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.880 -2.714 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.958 -1.345 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.556 0.681 -10.999 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.930 0.093 -11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.297 -0.201 -12.523 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.315 -0.903 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.123 -1.847 -11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.973 -2.647 -10.220 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.747 -5.200 -11.582 1.00 0.00 N ATOM 1263 CA ALA A 83 -1.104 -6.231 -12.387 1.00 0.00 C ATOM 1264 C ALA A 83 -1.498 -7.624 -11.911 1.00 0.00 C ATOM 1265 O ALA A 83 -1.580 -8.563 -12.704 1.00 0.00 O ATOM 1266 CB ALA A 83 0.408 -6.065 -12.347 1.00 0.00 C ATOM 0 H ALA A 83 -1.103 -4.629 -11.035 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.444 -6.118 -13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.875 -6.842 -12.952 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.677 -5.086 -12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.756 -6.149 -11.317 1.00 0.00 H new ATOM 1272 N MET A 84 -1.740 -7.753 -10.611 1.00 0.00 N ATOM 1273 CA MET A 84 -2.126 -9.033 -10.027 1.00 0.00 C ATOM 1274 C MET A 84 -3.647 -9.191 -9.982 1.00 0.00 C ATOM 1275 O MET A 84 -4.157 -10.211 -9.519 1.00 0.00 O ATOM 1276 CB MET A 84 -1.549 -9.165 -8.616 1.00 0.00 C ATOM 1277 CG MET A 84 -0.129 -9.710 -8.589 1.00 0.00 C ATOM 1278 SD MET A 84 -0.011 -11.312 -7.771 1.00 0.00 S ATOM 1279 CE MET A 84 0.136 -10.810 -6.058 1.00 0.00 C ATOM 0 H MET A 84 -1.676 -6.987 -9.941 1.00 0.00 H new ATOM 0 HA MET A 84 -1.721 -9.823 -10.660 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.564 -8.188 -8.133 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.192 -9.820 -8.029 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.240 -9.801 -9.611 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.519 -8.998 -8.078 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.423 -11.501 -5.427 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.186 -10.819 -5.765 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.266 -9.804 -5.938 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.367 -8.180 -10.463 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.825 -8.218 -10.472 1.00 0.00 C ATOM 1291 C ASN A 85 -6.375 -8.316 -9.052 1.00 0.00 C ATOM 1292 O ASN A 85 -6.803 -9.383 -8.612 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.321 -9.399 -11.310 1.00 0.00 C ATOM 1294 CG ASN A 85 -7.568 -9.060 -12.105 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -8.618 -8.762 -11.537 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -7.455 -9.105 -13.427 1.00 0.00 N ATOM 0 H ASN A 85 -3.964 -7.327 -10.851 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.186 -7.291 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.532 -9.713 -11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.530 -10.244 -10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.259 -8.887 -14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.564 -9.357 -13.854 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.362 -7.194 -8.341 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.858 -7.152 -6.970 1.00 0.00 C ATOM 1305 C LEU A 86 -7.368 -5.758 -6.621 1.00 0.00 C ATOM 1306 O LEU A 86 -6.647 -4.951 -6.034 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.757 -7.566 -5.993 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.336 -9.034 -6.077 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -4.056 -9.267 -5.288 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.449 -9.937 -5.570 1.00 0.00 C ATOM 0 H LEU A 86 -6.014 -6.302 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.687 -7.854 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.881 -6.942 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.096 -7.358 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.145 -9.279 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.771 -10.317 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.259 -8.646 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.220 -9.005 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.132 -10.978 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.672 -9.692 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.342 -9.790 -6.177 1.00 0.00 H new ATOM 1322 N MET A 87 -8.617 -5.481 -6.984 1.00 0.00 N ATOM 1323 CA MET A 87 -9.225 -4.185 -6.710 1.00 0.00 C ATOM 1324 C MET A 87 -9.545 -4.034 -5.224 1.00 0.00 C ATOM 1325 O MET A 87 -9.638 -2.919 -4.711 1.00 0.00 O ATOM 1326 CB MET A 87 -10.497 -4.011 -7.541 1.00 0.00 C ATOM 1327 CG MET A 87 -10.299 -3.163 -8.786 1.00 0.00 C ATOM 1328 SD MET A 87 -10.853 -1.461 -8.565 1.00 0.00 S ATOM 1329 CE MET A 87 -9.695 -0.589 -9.618 1.00 0.00 C ATOM 0 H MET A 87 -9.228 -6.138 -7.469 1.00 0.00 H new ATOM 0 HA MET A 87 -8.510 -3.410 -6.987 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.866 -4.994 -7.836 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.267 -3.555 -6.919 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.243 -3.165 -9.058 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.843 -3.613 -9.617 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.909 0.479 -9.588 1.00 0.00 H new ATOM 0 HE2 MET A 87 -8.679 -0.766 -9.266 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.792 -0.949 -10.642 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.715 -5.161 -4.538 1.00 0.00 N ATOM 1340 CA GLU A 88 -10.026 -5.151 -3.112 1.00 0.00 C ATOM 1341 C GLU A 88 -8.991 -4.349 -2.331 1.00 0.00 C ATOM 1342 O GLU A 88 -9.333 -3.604 -1.412 1.00 0.00 O ATOM 1343 CB GLU A 88 -10.089 -6.582 -2.575 1.00 0.00 C ATOM 1344 CG GLU A 88 -11.370 -7.314 -2.944 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.112 -8.595 -3.713 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -10.953 -8.524 -4.950 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -11.066 -9.669 -3.078 1.00 0.00 O ATOM 0 H GLU A 88 -9.643 -6.093 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.998 -4.675 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.236 -7.143 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.993 -6.559 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.925 -7.546 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.000 -6.656 -3.543 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.724 -4.504 -2.701 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.640 -3.793 -2.033 1.00 0.00 C ATOM 1356 C LEU A 89 -6.414 -2.425 -2.668 1.00 0.00 C ATOM 1357 O LEU A 89 -6.011 -1.476 -1.996 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.351 -4.615 -2.090 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.186 -5.639 -0.967 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -4.016 -6.566 -1.258 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -4.993 -4.938 0.369 1.00 0.00 C ATOM 0 H LEU A 89 -7.423 -5.116 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.923 -3.647 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.313 -5.138 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.502 -3.932 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.094 -6.239 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.914 -7.288 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.194 -7.094 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.100 -5.981 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.877 -5.682 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.101 -4.313 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.862 -4.316 0.582 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.675 -2.330 -3.968 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.499 -1.078 -4.694 1.00 0.00 C ATOM 1375 C VAL A 90 -7.508 -0.031 -4.233 1.00 0.00 C ATOM 1376 O VAL A 90 -7.209 1.163 -4.207 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.647 -1.284 -6.214 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.309 -0.003 -6.963 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.770 -2.434 -6.688 1.00 0.00 C ATOM 0 H VAL A 90 -7.009 -3.106 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.490 -0.726 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.685 -1.539 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.419 -0.168 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.984 0.792 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.281 0.286 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.889 -2.563 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.727 -2.213 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.065 -3.351 -6.178 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.702 -0.486 -3.871 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.755 0.412 -3.411 1.00 0.00 C ATOM 1391 C ASP A 91 -9.388 1.041 -2.071 1.00 0.00 C ATOM 1392 O ASP A 91 -9.776 2.170 -1.776 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.082 -0.342 -3.292 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.206 0.343 -4.044 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.128 0.420 -5.288 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.165 0.803 -3.389 1.00 0.00 O ATOM 0 H ASP A 91 -8.965 -1.471 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.865 1.210 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.957 -1.355 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.353 -0.430 -2.240 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.637 0.299 -1.262 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.218 0.784 0.049 1.00 0.00 C ATOM 1403 C TYR A 92 -7.079 1.790 -0.083 1.00 0.00 C ATOM 1404 O TYR A 92 -7.049 2.804 0.614 1.00 0.00 O ATOM 1405 CB TYR A 92 -7.782 -0.385 0.933 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.392 0.027 2.335 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.230 0.828 3.102 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.188 -0.386 2.891 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -7.877 1.206 4.383 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -5.829 -0.011 4.172 1.00 0.00 C ATOM 1411 CZ TYR A 92 -6.676 0.785 4.914 1.00 0.00 C ATOM 1412 OH TYR A 92 -6.322 1.160 6.189 1.00 0.00 O ATOM 0 H TYR A 92 -8.307 -0.639 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.068 1.283 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.594 -1.110 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.937 -0.889 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.172 1.160 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.522 -1.010 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.539 1.829 4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.889 -0.340 4.590 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.581 0.599 6.501 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.142 1.502 -0.980 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.000 2.381 -1.202 1.00 0.00 C ATOM 1424 C LEU A 93 -5.425 3.650 -1.936 1.00 0.00 C ATOM 1425 O LEU A 93 -4.864 4.723 -1.715 1.00 0.00 O ATOM 1426 CB LEU A 93 -3.917 1.654 -2.002 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.249 0.488 -1.272 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.148 -0.117 -2.131 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -2.691 0.947 0.066 1.00 0.00 C ATOM 0 H LEU A 93 -6.151 0.667 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.596 2.663 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.358 1.280 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.149 2.374 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.001 -0.279 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.683 -0.945 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.575 -0.482 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.397 0.642 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.219 0.105 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.952 1.732 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.501 1.334 0.684 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.418 3.518 -2.808 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.918 4.654 -3.575 1.00 0.00 C ATOM 1443 C ASN A 94 -7.628 5.652 -2.666 1.00 0.00 C ATOM 1444 O ASN A 94 -7.437 6.862 -2.789 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.871 4.174 -4.673 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.181 4.033 -6.015 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -5.956 3.926 -6.089 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -7.965 4.033 -7.086 1.00 0.00 N ATOM 0 H ASN A 94 -6.893 2.636 -3.002 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.067 5.154 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.299 3.214 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.699 4.877 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.557 3.942 -8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.975 4.124 -6.979 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.448 5.138 -1.756 1.00 0.00 N ATOM 1456 CA GLN A 95 -9.187 5.985 -0.827 1.00 0.00 C ATOM 1457 C GLN A 95 -8.235 6.797 0.044 1.00 0.00 C ATOM 1458 O GLN A 95 -8.547 7.916 0.447 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.103 5.135 0.054 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.006 5.953 0.962 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.382 6.177 0.366 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -12.854 7.310 0.274 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -13.035 5.095 -0.040 1.00 0.00 N ATOM 0 H GLN A 95 -8.618 4.139 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.795 6.676 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.720 4.502 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.491 4.472 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.108 5.445 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.538 6.917 1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.606 4.175 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.966 5.184 -0.447 1.00 0.00 H new ATOM 1472 N VAL A 96 -7.070 6.224 0.332 1.00 0.00 N ATOM 1473 CA VAL A 96 -6.071 6.893 1.155 1.00 0.00 C ATOM 1474 C VAL A 96 -4.875 7.334 0.318 1.00 0.00 C ATOM 1475 O VAL A 96 -3.951 6.556 0.080 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.577 5.981 2.294 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.691 6.758 3.256 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.755 5.357 3.027 1.00 0.00 C ATOM 0 H VAL A 96 -6.796 5.297 0.007 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.554 7.770 1.586 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.982 5.178 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.352 6.097 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.828 7.151 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.258 7.584 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.387 4.716 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.379 6.144 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.345 4.763 2.329 1.00 0.00 H new