USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 21 ASN :FLIP amide:sc= 0.0512 F(o=-2.2,f=0.051) USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.53 F(o=-4!,f=-0.53) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 171:sc= -10.3! (180deg=-10.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 30 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 35 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 36 MET CE :methyl 149:sc= -0.571 (180deg=-2.48!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.0527 (180deg=-0.345) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0235) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.034) USER MOD Single : A 50 GLN : amide:sc= -0.0379 K(o=-0.038,f=-1.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.033) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.00614 X(o=0.0061,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.879 -10.474 -3.404 1.00 0.00 N ATOM 102 CA LEU A 3 4.262 -9.203 -3.039 1.00 0.00 C ATOM 103 C LEU A 3 5.319 -8.125 -2.825 1.00 0.00 C ATOM 104 O LEU A 3 5.163 -7.250 -1.974 1.00 0.00 O ATOM 105 CB LEU A 3 3.421 -9.368 -1.771 1.00 0.00 C ATOM 106 CG LEU A 3 2.329 -8.322 -1.550 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.063 -8.705 -2.300 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.042 -8.156 -0.064 1.00 0.00 C ATOM 0 HA LEU A 3 3.615 -8.893 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.954 -10.353 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.090 -9.353 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 3 2.683 -7.368 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.297 -7.948 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.278 -8.771 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.705 -9.670 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.262 -7.407 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.709 -9.108 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.949 -7.834 0.448 1.00 0.00 H new ATOM 120 N GLN A 4 6.394 -8.195 -3.604 1.00 0.00 N ATOM 121 CA GLN A 4 7.476 -7.224 -3.501 1.00 0.00 C ATOM 122 C GLN A 4 7.241 -6.044 -4.438 1.00 0.00 C ATOM 123 O GLN A 4 7.061 -4.911 -3.993 1.00 0.00 O ATOM 124 CB GLN A 4 8.817 -7.886 -3.822 1.00 0.00 C ATOM 125 CG GLN A 4 9.515 -8.470 -2.604 1.00 0.00 C ATOM 126 CD GLN A 4 8.925 -9.797 -2.173 1.00 0.00 C ATOM 127 OE1 GLN A 4 7.658 -9.781 -1.774 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 9.599 -10.827 -2.198 1.00 0.00 N flip ATOM 0 H GLN A 4 6.538 -8.914 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 4 7.499 -6.852 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.656 -8.679 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.473 -7.151 -4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.574 -8.603 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.449 -7.762 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.569 -10.794 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.187 -11.713 -1.905 1.00 0.00 H new ATOM 137 N MET A 5 7.244 -6.319 -5.739 1.00 0.00 N ATOM 138 CA MET A 5 7.029 -5.279 -6.739 1.00 0.00 C ATOM 139 C MET A 5 5.818 -4.424 -6.383 1.00 0.00 C ATOM 140 O MET A 5 5.656 -3.316 -6.896 1.00 0.00 O ATOM 141 CB MET A 5 6.838 -5.905 -8.122 1.00 0.00 C ATOM 142 CG MET A 5 6.666 -4.881 -9.233 1.00 0.00 C ATOM 143 SD MET A 5 8.170 -3.937 -9.547 1.00 0.00 S ATOM 144 CE MET A 5 7.619 -2.850 -10.859 1.00 0.00 C ATOM 0 H MET A 5 7.393 -7.252 -6.125 1.00 0.00 H new ATOM 0 HA MET A 5 7.910 -4.638 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.698 -6.535 -8.349 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.964 -6.556 -8.100 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.364 -5.391 -10.148 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.860 -4.196 -8.969 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.440 -2.201 -11.163 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.292 -3.445 -11.712 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.789 -2.241 -10.502 1.00 0.00 H new ATOM 154 N ILE A 6 4.969 -4.945 -5.503 1.00 0.00 N ATOM 155 CA ILE A 6 3.773 -4.227 -5.079 1.00 0.00 C ATOM 156 C ILE A 6 4.091 -3.242 -3.959 1.00 0.00 C ATOM 157 O ILE A 6 3.987 -2.028 -4.138 1.00 0.00 O ATOM 158 CB ILE A 6 2.676 -5.196 -4.599 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.827 -6.554 -5.288 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.298 -4.610 -4.866 1.00 0.00 C ATOM 161 CD1 ILE A 6 3.135 -6.450 -6.766 1.00 0.00 C ATOM 0 H ILE A 6 5.087 -5.861 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 6 3.409 -3.680 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 6 2.785 -5.341 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.623 -7.115 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.907 -7.124 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.533 -5.306 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.195 -3.665 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.177 -4.438 -5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.229 -7.450 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.328 -5.917 -7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.070 -5.908 -6.905 1.00 0.00 H new ATOM 173 N VAL A 7 4.481 -3.772 -2.804 1.00 0.00 N ATOM 174 CA VAL A 7 4.817 -2.940 -1.656 1.00 0.00 C ATOM 175 C VAL A 7 6.002 -2.031 -1.964 1.00 0.00 C ATOM 176 O VAL A 7 6.034 -0.874 -1.546 1.00 0.00 O ATOM 177 CB VAL A 7 5.149 -3.797 -0.420 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.962 -4.670 -0.041 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.385 -4.645 -0.676 1.00 0.00 C ATOM 0 H VAL A 7 4.572 -4.774 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 7 3.941 -2.329 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 7 5.361 -3.131 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.215 -5.268 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.104 -4.038 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.715 -5.330 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.605 -5.244 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.205 -5.304 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.233 -3.996 -0.894 1.00 0.00 H new ATOM 189 N GLU A 8 6.974 -2.564 -2.698 1.00 0.00 N ATOM 190 CA GLU A 8 8.162 -1.800 -3.061 1.00 0.00 C ATOM 191 C GLU A 8 7.778 -0.472 -3.709 1.00 0.00 C ATOM 192 O GLU A 8 8.378 0.564 -3.427 1.00 0.00 O ATOM 193 CB GLU A 8 9.043 -2.609 -4.015 1.00 0.00 C ATOM 194 CG GLU A 8 9.770 -3.761 -3.342 1.00 0.00 C ATOM 195 CD GLU A 8 10.201 -3.431 -1.926 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.862 -2.389 -1.735 1.00 0.00 O ATOM 197 OE2 GLU A 8 9.878 -4.215 -1.009 1.00 0.00 O ATOM 0 H GLU A 8 6.962 -3.520 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 8 8.722 -1.591 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.425 -3.002 -4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.777 -1.944 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.120 -4.636 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.647 -4.027 -3.932 1.00 0.00 H new ATOM 204 N ASN A 9 6.773 -0.514 -4.578 1.00 0.00 N ATOM 205 CA ASN A 9 6.309 0.685 -5.267 1.00 0.00 C ATOM 206 C ASN A 9 5.982 1.793 -4.271 1.00 0.00 C ATOM 207 O ASN A 9 6.173 2.975 -4.555 1.00 0.00 O ATOM 208 CB ASN A 9 5.076 0.366 -6.115 1.00 0.00 C ATOM 209 CG ASN A 9 5.438 -0.246 -7.455 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.877 -1.266 -7.856 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.381 0.376 -8.154 1.00 0.00 N ATOM 0 H ASN A 9 6.265 -1.364 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 9 7.111 1.032 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.430 -0.320 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.505 1.280 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.667 0.011 -9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.819 1.219 -7.782 1.00 0.00 H new ATOM 218 N VAL A 10 5.487 1.402 -3.100 1.00 0.00 N ATOM 219 CA VAL A 10 5.135 2.361 -2.060 1.00 0.00 C ATOM 220 C VAL A 10 6.324 3.245 -1.702 1.00 0.00 C ATOM 221 O VAL A 10 6.182 4.455 -1.523 1.00 0.00 O ATOM 222 CB VAL A 10 4.635 1.651 -0.788 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.342 2.664 0.308 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.404 0.813 -1.095 1.00 0.00 C ATOM 0 H VAL A 10 5.321 0.428 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 10 4.333 2.981 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 10 5.420 0.984 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.990 2.144 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.251 3.216 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.575 3.358 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.064 0.318 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.611 1.457 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.653 0.062 -1.845 1.00 0.00 H new ATOM 234 N LYS A 11 7.500 2.633 -1.600 1.00 0.00 N ATOM 235 CA LYS A 11 8.716 3.364 -1.265 1.00 0.00 C ATOM 236 C LYS A 11 9.041 4.401 -2.336 1.00 0.00 C ATOM 237 O LYS A 11 9.557 5.478 -2.035 1.00 0.00 O ATOM 238 CB LYS A 11 9.890 2.394 -1.106 1.00 0.00 C ATOM 239 CG LYS A 11 9.623 1.273 -0.117 1.00 0.00 C ATOM 240 CD LYS A 11 9.224 1.814 1.245 1.00 0.00 C ATOM 241 CE LYS A 11 10.383 2.528 1.923 1.00 0.00 C ATOM 242 NZ LYS A 11 10.297 2.441 3.407 1.00 0.00 N ATOM 0 H LYS A 11 7.636 1.633 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 11 8.550 3.883 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.127 1.961 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.769 2.951 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.831 0.630 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.515 0.655 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.387 2.503 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.881 0.995 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.324 2.092 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.391 3.575 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.105 2.940 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.411 2.880 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.315 1.443 3.698 1.00 0.00 H new ATOM 256 N LEU A 12 8.734 4.070 -3.585 1.00 0.00 N ATOM 257 CA LEU A 12 8.992 4.974 -4.701 1.00 0.00 C ATOM 258 C LEU A 12 8.042 6.166 -4.666 1.00 0.00 C ATOM 259 O LEU A 12 8.434 7.294 -4.964 1.00 0.00 O ATOM 260 CB LEU A 12 8.846 4.230 -6.030 1.00 0.00 C ATOM 261 CG LEU A 12 9.060 5.064 -7.293 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.958 6.101 -7.442 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.426 5.735 -7.263 1.00 0.00 C ATOM 0 H LEU A 12 8.306 3.183 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 12 10.013 5.344 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.556 3.403 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.848 3.794 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 12 9.022 4.398 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.128 6.685 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.993 5.599 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.962 6.764 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.562 6.325 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.492 6.388 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.204 4.974 -7.205 1.00 0.00 H new ATOM 275 N ALA A 13 6.791 5.910 -4.298 1.00 0.00 N ATOM 276 CA ALA A 13 5.786 6.963 -4.219 1.00 0.00 C ATOM 277 C ALA A 13 6.004 7.840 -2.991 1.00 0.00 C ATOM 278 O ALA A 13 5.975 9.067 -3.080 1.00 0.00 O ATOM 279 CB ALA A 13 4.389 6.359 -4.198 1.00 0.00 C ATOM 0 H ALA A 13 6.449 4.982 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 13 5.885 7.592 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.649 7.157 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.228 5.782 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.288 5.705 -3.332 1.00 0.00 H new ATOM 285 N ARG A 14 6.223 7.202 -1.846 1.00 0.00 N ATOM 286 CA ARG A 14 6.445 7.925 -0.599 1.00 0.00 C ATOM 287 C ARG A 14 7.566 8.947 -0.756 1.00 0.00 C ATOM 288 O ARG A 14 7.502 10.043 -0.199 1.00 0.00 O ATOM 289 CB ARG A 14 6.784 6.948 0.528 1.00 0.00 C ATOM 290 CG ARG A 14 6.965 7.617 1.881 1.00 0.00 C ATOM 291 CD ARG A 14 7.451 6.630 2.930 1.00 0.00 C ATOM 292 NE ARG A 14 7.296 7.153 4.285 1.00 0.00 N ATOM 293 CZ ARG A 14 7.375 6.399 5.377 1.00 0.00 C ATOM 294 NH1 ARG A 14 7.606 5.098 5.273 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.224 6.948 6.575 1.00 0.00 N ATOM 0 H ARG A 14 6.252 6.186 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 14 5.527 8.455 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.991 6.204 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.699 6.414 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.680 8.435 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.019 8.054 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.895 5.697 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.500 6.396 2.749 1.00 0.00 H new ATOM 0 HE ARG A 14 7.117 8.151 4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.724 4.673 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.666 4.522 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.047 7.949 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.285 6.369 7.413 1.00 0.00 H new ATOM 309 N GLU A 15 8.593 8.580 -1.516 1.00 0.00 N ATOM 310 CA GLU A 15 9.729 9.466 -1.744 1.00 0.00 C ATOM 311 C GLU A 15 9.325 10.659 -2.605 1.00 0.00 C ATOM 312 O GLU A 15 9.667 11.802 -2.300 1.00 0.00 O ATOM 313 CB GLU A 15 10.872 8.703 -2.416 1.00 0.00 C ATOM 314 CG GLU A 15 12.247 9.273 -2.111 1.00 0.00 C ATOM 315 CD GLU A 15 12.706 8.965 -0.699 1.00 0.00 C ATOM 316 OE1 GLU A 15 12.347 9.728 0.222 1.00 0.00 O ATOM 317 OE2 GLU A 15 13.424 7.960 -0.515 1.00 0.00 O ATOM 0 H GLU A 15 8.662 7.676 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 15 10.068 9.836 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.840 7.662 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.717 8.709 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.969 8.869 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.229 10.353 -2.256 1.00 0.00 H new ATOM 324 N TYR A 16 8.595 10.385 -3.680 1.00 0.00 N ATOM 325 CA TYR A 16 8.146 11.435 -4.587 1.00 0.00 C ATOM 326 C TYR A 16 7.329 12.486 -3.842 1.00 0.00 C ATOM 327 O TYR A 16 7.390 13.674 -4.158 1.00 0.00 O ATOM 328 CB TYR A 16 7.313 10.836 -5.722 1.00 0.00 C ATOM 329 CG TYR A 16 8.140 10.127 -6.771 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.236 9.351 -6.413 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.825 10.233 -8.120 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.994 8.703 -7.368 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.577 9.587 -9.082 1.00 0.00 C ATOM 334 CZ TYR A 16 9.661 8.823 -8.701 1.00 0.00 C ATOM 335 OH TYR A 16 10.413 8.177 -9.655 1.00 0.00 O ATOM 0 H TYR A 16 8.301 9.445 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 16 9.028 11.918 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.594 10.133 -5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.740 11.631 -6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.499 9.253 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.978 10.831 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.844 8.105 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.318 9.679 -10.126 1.00 0.00 H new ATOM 0 HH TYR A 16 10.045 8.364 -10.544 1.00 0.00 H new ATOM 345 N ALA A 17 6.566 12.039 -2.851 1.00 0.00 N ATOM 346 CA ALA A 17 5.738 12.940 -2.058 1.00 0.00 C ATOM 347 C ALA A 17 6.594 13.956 -1.309 1.00 0.00 C ATOM 348 O ALA A 17 6.198 15.109 -1.135 1.00 0.00 O ATOM 349 CB ALA A 17 4.881 12.148 -1.081 1.00 0.00 C ATOM 0 H ALA A 17 6.504 11.058 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 17 5.084 13.485 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.268 12.834 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.235 11.466 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.525 11.576 -0.413 1.00 0.00 H new ATOM 355 N LEU A 18 7.770 13.521 -0.868 1.00 0.00 N ATOM 356 CA LEU A 18 8.682 14.393 -0.137 1.00 0.00 C ATOM 357 C LEU A 18 9.356 15.387 -1.078 1.00 0.00 C ATOM 358 O LEU A 18 9.340 16.595 -0.837 1.00 0.00 O ATOM 359 CB LEU A 18 9.742 13.562 0.589 1.00 0.00 C ATOM 360 CG LEU A 18 9.243 12.289 1.273 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.378 11.602 2.016 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.098 12.608 2.223 1.00 0.00 C ATOM 0 H LEU A 18 8.114 12.570 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 18 8.101 14.951 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.514 13.286 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.217 14.192 1.341 1.00 0.00 H new ATOM 0 HG LEU A 18 8.874 11.608 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.004 10.698 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.167 11.339 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.778 12.276 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.755 11.690 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.442 13.308 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.276 13.055 1.664 1.00 0.00 H new ATOM 374 N LEU A 19 9.946 14.872 -2.151 1.00 0.00 N ATOM 375 CA LEU A 19 10.624 15.714 -3.130 1.00 0.00 C ATOM 376 C LEU A 19 9.728 16.868 -3.569 1.00 0.00 C ATOM 377 O LEU A 19 10.184 18.002 -3.710 1.00 0.00 O ATOM 378 CB LEU A 19 11.039 14.884 -4.346 1.00 0.00 C ATOM 379 CG LEU A 19 11.772 13.576 -4.047 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.250 12.926 -5.336 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.943 13.823 -3.107 1.00 0.00 C ATOM 0 H LEU A 19 9.969 13.875 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 19 11.516 16.129 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.145 14.652 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.678 15.499 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 19 11.076 12.896 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.769 11.996 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.393 12.713 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.930 13.602 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.453 12.881 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.640 14.521 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.576 14.244 -2.171 1.00 0.00 H new ATOM 393 N GLY A 20 8.450 16.570 -3.781 1.00 0.00 N ATOM 394 CA GLY A 20 7.510 17.593 -4.200 1.00 0.00 C ATOM 395 C GLY A 20 6.465 17.062 -5.161 1.00 0.00 C ATOM 396 O GLY A 20 5.446 17.710 -5.400 1.00 0.00 O ATOM 0 H GLY A 20 8.049 15.639 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.014 18.008 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.054 18.409 -4.675 1.00 0.00 H new ATOM 400 N ASN A 21 6.718 15.881 -5.714 1.00 0.00 N ATOM 401 CA ASN A 21 5.792 15.264 -6.657 1.00 0.00 C ATOM 402 C ASN A 21 4.865 14.283 -5.946 1.00 0.00 C ATOM 403 O ASN A 21 5.173 13.097 -5.826 1.00 0.00 O ATOM 404 CB ASN A 21 6.563 14.543 -7.764 1.00 0.00 C ATOM 405 CG ASN A 21 5.804 14.522 -9.077 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.488 14.365 -8.997 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.395 14.645 -10.150 1.00 0.00 N flip ATOM 0 H ASN A 21 7.557 15.332 -5.526 1.00 0.00 H new ATOM 0 HA ASN A 21 5.185 16.053 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.525 15.033 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.771 13.520 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.408 14.763 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.872 14.629 -11.025 1.00 0.00 H new ATOM 414 N TYR A 22 3.729 14.785 -5.476 1.00 0.00 N ATOM 415 CA TYR A 22 2.757 13.954 -4.775 1.00 0.00 C ATOM 416 C TYR A 22 1.836 13.243 -5.762 1.00 0.00 C ATOM 417 O TYR A 22 1.489 12.077 -5.575 1.00 0.00 O ATOM 418 CB TYR A 22 1.930 14.804 -3.809 1.00 0.00 C ATOM 419 CG TYR A 22 2.744 15.834 -3.060 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.109 17.032 -3.662 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.150 15.610 -1.750 1.00 0.00 C ATOM 422 CE1 TYR A 22 3.853 17.977 -2.982 1.00 0.00 C ATOM 423 CE2 TYR A 22 3.894 16.549 -1.062 1.00 0.00 C ATOM 424 CZ TYR A 22 4.243 17.730 -1.682 1.00 0.00 C ATOM 425 OH TYR A 22 4.985 18.668 -1.000 1.00 0.00 O ATOM 0 H TYR A 22 3.458 15.764 -5.568 1.00 0.00 H new ATOM 0 HA TYR A 22 3.303 13.200 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.143 15.311 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.439 14.148 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.806 17.228 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.879 14.686 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.127 18.903 -3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.201 16.359 -0.044 1.00 0.00 H new ATOM 0 HH TYR A 22 5.176 18.340 -0.096 1.00 0.00 H new ATOM 435 N ASP A 23 1.444 13.955 -6.813 1.00 0.00 N ATOM 436 CA ASP A 23 0.564 13.394 -7.831 1.00 0.00 C ATOM 437 C ASP A 23 1.098 12.055 -8.333 1.00 0.00 C ATOM 438 O ASP A 23 0.334 11.117 -8.561 1.00 0.00 O ATOM 439 CB ASP A 23 0.415 14.368 -9.000 1.00 0.00 C ATOM 440 CG ASP A 23 -0.299 13.747 -10.185 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.358 13.119 -9.977 1.00 0.00 O ATOM 442 OD2 ASP A 23 0.202 13.889 -11.320 1.00 0.00 O ATOM 0 H ASP A 23 1.722 14.922 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.414 13.229 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.136 15.248 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.402 14.709 -9.312 1.00 0.00 H new ATOM 447 N SER A 24 2.413 11.975 -8.503 1.00 0.00 N ATOM 448 CA SER A 24 3.049 10.754 -8.983 1.00 0.00 C ATOM 449 C SER A 24 2.937 9.640 -7.946 1.00 0.00 C ATOM 450 O SER A 24 2.919 8.458 -8.288 1.00 0.00 O ATOM 451 CB SER A 24 4.520 11.014 -9.312 1.00 0.00 C ATOM 452 OG SER A 24 4.672 11.469 -10.645 1.00 0.00 O ATOM 0 H SER A 24 3.059 12.741 -8.315 1.00 0.00 H new ATOM 0 HA SER A 24 2.533 10.437 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.924 11.756 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.095 10.099 -9.169 1.00 0.00 H new ATOM 0 HG SER A 24 5.621 11.629 -10.830 1.00 0.00 H new ATOM 458 N ALA A 25 2.864 10.027 -6.677 1.00 0.00 N ATOM 459 CA ALA A 25 2.752 9.063 -5.589 1.00 0.00 C ATOM 460 C ALA A 25 1.349 8.470 -5.523 1.00 0.00 C ATOM 461 O ALA A 25 1.174 7.304 -5.174 1.00 0.00 O ATOM 462 CB ALA A 25 3.113 9.718 -4.264 1.00 0.00 C ATOM 0 H ALA A 25 2.880 11.002 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 25 3.453 8.251 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.025 8.987 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.138 10.087 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.435 10.550 -4.073 1.00 0.00 H new ATOM 468 N MET A 26 0.352 9.282 -5.861 1.00 0.00 N ATOM 469 CA MET A 26 -1.036 8.836 -5.840 1.00 0.00 C ATOM 470 C MET A 26 -1.246 7.664 -6.794 1.00 0.00 C ATOM 471 O MET A 26 -1.692 6.592 -6.387 1.00 0.00 O ATOM 472 CB MET A 26 -1.970 9.988 -6.217 1.00 0.00 C ATOM 473 CG MET A 26 -1.794 11.222 -5.347 1.00 0.00 C ATOM 474 SD MET A 26 -1.870 10.846 -3.585 1.00 0.00 S ATOM 475 CE MET A 26 -0.162 10.421 -3.256 1.00 0.00 C ATOM 0 H MET A 26 0.480 10.251 -6.152 1.00 0.00 H new ATOM 0 HA MET A 26 -1.269 8.504 -4.828 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.797 10.260 -7.258 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.003 9.646 -6.144 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.835 11.688 -5.574 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.568 11.949 -5.593 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.013 10.319 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.079 9.478 -3.747 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.489 11.207 -3.640 1.00 0.00 H new ATOM 485 N VAL A 27 -0.920 7.876 -8.065 1.00 0.00 N ATOM 486 CA VAL A 27 -1.071 6.837 -9.076 1.00 0.00 C ATOM 487 C VAL A 27 -0.368 5.552 -8.654 1.00 0.00 C ATOM 488 O VAL A 27 -0.860 4.452 -8.903 1.00 0.00 O ATOM 489 CB VAL A 27 -0.512 7.292 -10.437 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.006 8.690 -10.777 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.009 7.242 -10.431 1.00 0.00 C ATOM 0 H VAL A 27 -0.550 8.758 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.140 6.647 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.873 6.608 -11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.601 8.994 -11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.095 8.690 -10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.677 9.389 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.388 7.567 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.392 7.902 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.339 6.222 -10.236 1.00 0.00 H new ATOM 501 N TYR A 28 0.786 5.700 -8.013 1.00 0.00 N ATOM 502 CA TYR A 28 1.559 4.551 -7.557 1.00 0.00 C ATOM 503 C TYR A 28 0.873 3.864 -6.380 1.00 0.00 C ATOM 504 O TYR A 28 0.658 2.652 -6.393 1.00 0.00 O ATOM 505 CB TYR A 28 2.970 4.986 -7.155 1.00 0.00 C ATOM 506 CG TYR A 28 3.976 4.892 -8.280 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.943 5.786 -9.344 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.959 3.911 -8.279 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.860 5.703 -10.374 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.881 3.822 -9.304 1.00 0.00 C ATOM 511 CZ TYR A 28 5.827 4.720 -10.350 1.00 0.00 C ATOM 512 OH TYR A 28 6.743 4.635 -11.373 1.00 0.00 O ATOM 0 H TYR A 28 1.207 6.604 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 28 1.625 3.840 -8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.935 6.014 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.309 4.368 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.188 6.558 -9.366 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.003 3.205 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.820 6.405 -11.194 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.640 3.054 -9.287 1.00 0.00 H new ATOM 0 HH TYR A 28 7.355 3.889 -11.203 1.00 0.00 H new ATOM 522 N TYR A 29 0.529 4.649 -5.364 1.00 0.00 N ATOM 523 CA TYR A 29 -0.132 4.118 -4.178 1.00 0.00 C ATOM 524 C TYR A 29 -1.391 3.345 -4.557 1.00 0.00 C ATOM 525 O TYR A 29 -1.546 2.177 -4.199 1.00 0.00 O ATOM 526 CB TYR A 29 -0.486 5.252 -3.215 1.00 0.00 C ATOM 527 CG TYR A 29 0.591 5.538 -2.194 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.891 4.618 -1.196 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.308 6.727 -2.224 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.874 4.874 -0.260 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.293 6.992 -1.293 1.00 0.00 C ATOM 532 CZ TYR A 29 2.572 6.063 -0.313 1.00 0.00 C ATOM 533 OH TYR A 29 3.552 6.323 0.617 1.00 0.00 O ATOM 0 H TYR A 29 0.697 5.655 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 29 0.558 3.434 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.680 6.158 -3.789 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.410 5.000 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.346 3.687 -1.152 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.091 7.458 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.095 4.148 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.842 7.921 -1.332 1.00 0.00 H new ATOM 0 HH TYR A 29 3.947 7.202 0.439 1.00 0.00 H new ATOM 543 N GLN A 30 -2.287 4.005 -5.283 1.00 0.00 N ATOM 544 CA GLN A 30 -3.534 3.381 -5.711 1.00 0.00 C ATOM 545 C GLN A 30 -3.267 2.038 -6.383 1.00 0.00 C ATOM 546 O GLN A 30 -4.013 1.078 -6.193 1.00 0.00 O ATOM 547 CB GLN A 30 -4.289 4.304 -6.669 1.00 0.00 C ATOM 548 CG GLN A 30 -5.772 3.987 -6.777 1.00 0.00 C ATOM 549 CD GLN A 30 -6.559 4.465 -5.573 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.908 5.642 -5.472 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.845 3.553 -4.651 1.00 0.00 N ATOM 0 H GLN A 30 -2.173 4.972 -5.587 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.147 3.209 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.170 5.335 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.838 4.234 -7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.174 4.451 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.903 2.911 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.536 2.589 -4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.373 3.817 -3.819 1.00 0.00 H new ATOM 560 N GLY A 31 -2.198 1.978 -7.172 1.00 0.00 N ATOM 561 CA GLY A 31 -1.852 0.749 -7.861 1.00 0.00 C ATOM 562 C GLY A 31 -1.434 -0.353 -6.908 1.00 0.00 C ATOM 563 O GLY A 31 -1.807 -1.512 -7.085 1.00 0.00 O ATOM 0 H GLY A 31 -1.566 2.759 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.707 0.412 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.041 0.945 -8.562 1.00 0.00 H new ATOM 567 N VAL A 32 -0.656 0.009 -5.893 1.00 0.00 N ATOM 568 CA VAL A 32 -0.186 -0.957 -4.908 1.00 0.00 C ATOM 569 C VAL A 32 -1.353 -1.602 -4.169 1.00 0.00 C ATOM 570 O VAL A 32 -1.395 -2.820 -3.993 1.00 0.00 O ATOM 571 CB VAL A 32 0.757 -0.300 -3.882 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.151 -1.297 -2.803 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.988 0.263 -4.574 1.00 0.00 C ATOM 0 H VAL A 32 -0.338 0.965 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 32 0.362 -1.724 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 32 0.228 0.525 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.817 -0.815 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.257 -1.647 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.662 -2.145 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.643 0.723 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.521 -0.542 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.684 1.012 -5.305 1.00 0.00 H new ATOM 583 N LEU A 33 -2.301 -0.776 -3.739 1.00 0.00 N ATOM 584 CA LEU A 33 -3.472 -1.265 -3.019 1.00 0.00 C ATOM 585 C LEU A 33 -4.294 -2.208 -3.892 1.00 0.00 C ATOM 586 O LEU A 33 -4.746 -3.258 -3.435 1.00 0.00 O ATOM 587 CB LEU A 33 -4.339 -0.092 -2.559 1.00 0.00 C ATOM 588 CG LEU A 33 -3.828 0.685 -1.345 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.594 -0.253 -0.171 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.551 1.437 -1.692 1.00 0.00 C ATOM 0 H LEU A 33 -2.282 0.235 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.126 -1.818 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.446 0.603 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.335 -0.470 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.587 1.412 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.231 0.318 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.530 -0.746 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.854 -1.004 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.202 1.984 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.785 0.728 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.750 2.138 -2.502 1.00 0.00 H new ATOM 602 N ASP A 34 -4.482 -1.826 -5.150 1.00 0.00 N ATOM 603 CA ASP A 34 -5.247 -2.639 -6.089 1.00 0.00 C ATOM 604 C ASP A 34 -4.562 -3.980 -6.331 1.00 0.00 C ATOM 605 O ASP A 34 -5.196 -5.033 -6.262 1.00 0.00 O ATOM 606 CB ASP A 34 -5.423 -1.896 -7.415 1.00 0.00 C ATOM 607 CG ASP A 34 -6.460 -0.794 -7.328 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.451 -0.969 -6.588 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.282 0.243 -8.000 1.00 0.00 O ATOM 0 H ASP A 34 -4.116 -0.959 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.228 -2.826 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.467 -1.468 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.715 -2.605 -8.190 1.00 0.00 H new ATOM 614 N GLN A 35 -3.264 -3.934 -6.614 1.00 0.00 N ATOM 615 CA GLN A 35 -2.494 -5.146 -6.868 1.00 0.00 C ATOM 616 C GLN A 35 -2.441 -6.027 -5.624 1.00 0.00 C ATOM 617 O GLN A 35 -2.514 -7.252 -5.716 1.00 0.00 O ATOM 618 CB GLN A 35 -1.076 -4.789 -7.316 1.00 0.00 C ATOM 619 CG GLN A 35 -1.020 -4.104 -8.672 1.00 0.00 C ATOM 620 CD GLN A 35 -1.824 -4.836 -9.729 1.00 0.00 C ATOM 621 OE1 GLN A 35 -2.733 -4.269 -10.337 1.00 0.00 O ATOM 622 NE2 GLN A 35 -1.492 -6.102 -9.954 1.00 0.00 N ATOM 0 H GLN A 35 -2.724 -3.071 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.990 -5.702 -7.664 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.622 -4.137 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.476 -5.698 -7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.396 -3.085 -8.576 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.018 -4.032 -8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.732 -6.531 -9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.997 -6.645 -10.654 1.00 0.00 H new ATOM 631 N MET A 36 -2.313 -5.394 -4.462 1.00 0.00 N ATOM 632 CA MET A 36 -2.250 -6.122 -3.199 1.00 0.00 C ATOM 633 C MET A 36 -3.496 -6.980 -3.004 1.00 0.00 C ATOM 634 O MET A 36 -3.401 -8.171 -2.714 1.00 0.00 O ATOM 635 CB MET A 36 -2.101 -5.145 -2.031 1.00 0.00 C ATOM 636 CG MET A 36 -0.657 -4.796 -1.712 1.00 0.00 C ATOM 637 SD MET A 36 -0.445 -4.190 -0.027 1.00 0.00 S ATOM 638 CE MET A 36 -0.992 -5.611 0.915 1.00 0.00 C ATOM 0 H MET A 36 -2.251 -4.380 -4.369 1.00 0.00 H new ATOM 0 HA MET A 36 -1.380 -6.778 -3.228 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.645 -4.229 -2.262 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.566 -5.577 -1.145 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.033 -5.678 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.307 -4.038 -2.413 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.451 -5.651 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.061 -5.528 1.112 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.798 -6.521 0.347 1.00 0.00 H new ATOM 648 N ASN A 37 -4.664 -6.365 -3.166 1.00 0.00 N ATOM 649 CA ASN A 37 -5.929 -7.074 -3.006 1.00 0.00 C ATOM 650 C ASN A 37 -5.974 -8.313 -3.895 1.00 0.00 C ATOM 651 O ASN A 37 -6.337 -9.400 -3.446 1.00 0.00 O ATOM 652 CB ASN A 37 -7.101 -6.149 -3.341 1.00 0.00 C ATOM 653 CG ASN A 37 -7.639 -5.432 -2.119 1.00 0.00 C ATOM 654 OD1 ASN A 37 -8.168 -6.058 -1.200 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.506 -4.110 -2.102 1.00 0.00 N ATOM 0 H ASN A 37 -4.760 -5.379 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.011 -7.391 -1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.780 -5.413 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.901 -6.731 -3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.849 -3.573 -1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.061 -3.632 -2.886 1.00 0.00 H new ATOM 662 N LYS A 38 -5.603 -8.141 -5.159 1.00 0.00 N ATOM 663 CA LYS A 38 -5.598 -9.245 -6.113 1.00 0.00 C ATOM 664 C LYS A 38 -4.824 -10.437 -5.561 1.00 0.00 C ATOM 665 O LYS A 38 -5.193 -11.589 -5.789 1.00 0.00 O ATOM 666 CB LYS A 38 -4.986 -8.796 -7.441 1.00 0.00 C ATOM 667 CG LYS A 38 -5.717 -7.630 -8.085 1.00 0.00 C ATOM 668 CD LYS A 38 -4.940 -7.068 -9.264 1.00 0.00 C ATOM 669 CE LYS A 38 -5.013 -7.991 -10.470 1.00 0.00 C ATOM 670 NZ LYS A 38 -6.397 -8.087 -11.013 1.00 0.00 N ATOM 0 H LYS A 38 -5.302 -7.247 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.630 -9.551 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.946 -8.515 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.982 -9.638 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.702 -7.957 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.876 -6.845 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.338 -6.088 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.898 -6.922 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.342 -7.626 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.664 -8.984 -10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.366 -8.476 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.966 -8.711 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.827 -7.141 -11.036 1.00 0.00 H new ATOM 684 N TYR A 39 -3.750 -10.154 -4.833 1.00 0.00 N ATOM 685 CA TYR A 39 -2.923 -11.203 -4.249 1.00 0.00 C ATOM 686 C TYR A 39 -3.645 -11.886 -3.092 1.00 0.00 C ATOM 687 O TYR A 39 -3.601 -13.109 -2.951 1.00 0.00 O ATOM 688 CB TYR A 39 -1.593 -10.623 -3.764 1.00 0.00 C ATOM 689 CG TYR A 39 -0.630 -11.667 -3.245 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.770 -12.196 -1.968 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.419 -12.125 -4.033 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.108 -13.150 -1.490 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.301 -13.080 -3.564 1.00 0.00 C ATOM 694 CZ TYR A 39 1.141 -13.588 -2.292 1.00 0.00 C ATOM 695 OH TYR A 39 2.017 -14.539 -1.820 1.00 0.00 O ATOM 0 H TYR A 39 -3.431 -9.206 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.727 -11.947 -5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.122 -10.082 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.789 -9.897 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.579 -11.856 -1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.547 -11.728 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.014 -13.550 -0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.110 -13.426 -4.190 1.00 0.00 H new ATOM 0 HH TYR A 39 2.685 -14.739 -2.508 1.00 0.00 H new ATOM 705 N LEU A 40 -4.312 -11.087 -2.266 1.00 0.00 N ATOM 706 CA LEU A 40 -5.046 -11.612 -1.120 1.00 0.00 C ATOM 707 C LEU A 40 -6.253 -12.427 -1.574 1.00 0.00 C ATOM 708 O LEU A 40 -6.599 -13.437 -0.960 1.00 0.00 O ATOM 709 CB LEU A 40 -5.500 -10.468 -0.212 1.00 0.00 C ATOM 710 CG LEU A 40 -4.491 -9.339 0.001 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.902 -8.473 1.181 1.00 0.00 C ATOM 712 CD2 LEU A 40 -3.095 -9.905 0.212 1.00 0.00 C ATOM 0 H LEU A 40 -4.360 -10.073 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.378 -12.267 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.411 -10.040 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.760 -10.884 0.761 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.477 -8.716 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.173 -7.675 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.883 -8.039 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.945 -9.084 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.390 -9.088 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.093 -10.551 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.800 -10.482 -0.664 1.00 0.00 H new ATOM 724 N TYR A 41 -6.888 -11.983 -2.652 1.00 0.00 N ATOM 725 CA TYR A 41 -8.057 -12.671 -3.188 1.00 0.00 C ATOM 726 C TYR A 41 -7.664 -14.007 -3.811 1.00 0.00 C ATOM 727 O TYR A 41 -8.486 -14.917 -3.925 1.00 0.00 O ATOM 728 CB TYR A 41 -8.756 -11.796 -4.230 1.00 0.00 C ATOM 729 CG TYR A 41 -10.256 -11.980 -4.268 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.830 -13.020 -4.988 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.099 -11.115 -3.581 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.200 -13.192 -5.025 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.470 -11.280 -3.612 1.00 0.00 C ATOM 734 CZ TYR A 41 -13.016 -12.319 -4.335 1.00 0.00 C ATOM 735 OH TYR A 41 -14.381 -12.488 -4.369 1.00 0.00 O ATOM 0 H TYR A 41 -6.613 -11.150 -3.172 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.744 -12.863 -2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.532 -10.750 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.346 -12.021 -5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.194 -13.706 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.675 -10.300 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.630 -14.005 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.111 -10.598 -3.073 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.810 -11.791 -3.831 1.00 0.00 H new ATOM 745 N SER A 42 -6.402 -14.118 -4.212 1.00 0.00 N ATOM 746 CA SER A 42 -5.899 -15.341 -4.826 1.00 0.00 C ATOM 747 C SER A 42 -5.610 -16.401 -3.767 1.00 0.00 C ATOM 748 O SER A 42 -5.824 -17.593 -3.990 1.00 0.00 O ATOM 749 CB SER A 42 -4.632 -15.049 -5.632 1.00 0.00 C ATOM 750 OG SER A 42 -4.474 -15.980 -6.689 1.00 0.00 O ATOM 0 H SER A 42 -5.709 -13.375 -4.123 1.00 0.00 H new ATOM 0 HA SER A 42 -6.667 -15.724 -5.498 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.680 -14.038 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.763 -15.088 -4.976 1.00 0.00 H new ATOM 0 HG SER A 42 -3.658 -15.771 -7.190 1.00 0.00 H new ATOM 756 N VAL A 43 -5.120 -15.958 -2.614 1.00 0.00 N ATOM 757 CA VAL A 43 -4.802 -16.867 -1.519 1.00 0.00 C ATOM 758 C VAL A 43 -6.034 -17.157 -0.669 1.00 0.00 C ATOM 759 O VAL A 43 -6.934 -16.325 -0.556 1.00 0.00 O ATOM 760 CB VAL A 43 -3.693 -16.292 -0.617 1.00 0.00 C ATOM 761 CG1 VAL A 43 -4.144 -14.983 0.014 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.299 -17.300 0.451 1.00 0.00 C ATOM 0 H VAL A 43 -4.934 -14.975 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.450 -17.795 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.817 -16.089 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.348 -14.591 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.372 -14.261 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.035 -15.158 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.515 -16.877 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.167 -17.537 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.932 -18.209 -0.025 1.00 0.00 H new ATOM 772 N LYS A 44 -6.067 -18.343 -0.072 1.00 0.00 N ATOM 773 CA LYS A 44 -7.188 -18.745 0.770 1.00 0.00 C ATOM 774 C LYS A 44 -6.790 -18.743 2.243 1.00 0.00 C ATOM 775 O LYS A 44 -7.557 -18.308 3.102 1.00 0.00 O ATOM 776 CB LYS A 44 -7.683 -20.136 0.367 1.00 0.00 C ATOM 777 CG LYS A 44 -8.450 -20.152 -0.944 1.00 0.00 C ATOM 778 CD LYS A 44 -9.929 -19.878 -0.728 1.00 0.00 C ATOM 779 CE LYS A 44 -10.600 -19.400 -2.006 1.00 0.00 C ATOM 780 NZ LYS A 44 -10.534 -20.426 -3.084 1.00 0.00 N ATOM 0 H LYS A 44 -5.330 -19.043 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.993 -18.024 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.828 -20.807 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.323 -20.528 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.035 -19.403 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.325 -21.121 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.420 -20.785 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.051 -19.126 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.642 -19.156 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.120 -18.483 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.060 -20.090 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.541 -20.591 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.954 -21.314 -2.744 1.00 0.00 H new ATOM 794 N ASP A 45 -5.587 -19.229 2.526 1.00 0.00 N ATOM 795 CA ASP A 45 -5.086 -19.281 3.895 1.00 0.00 C ATOM 796 C ASP A 45 -5.395 -17.984 4.636 1.00 0.00 C ATOM 797 O ASP A 45 -4.764 -16.954 4.398 1.00 0.00 O ATOM 798 CB ASP A 45 -3.578 -19.539 3.900 1.00 0.00 C ATOM 799 CG ASP A 45 -3.125 -20.301 5.129 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.213 -21.547 5.121 1.00 0.00 O ATOM 801 OD2 ASP A 45 -2.681 -19.652 6.099 1.00 0.00 O ATOM 0 H ASP A 45 -4.940 -19.593 1.826 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.588 -20.101 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.306 -20.101 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.049 -18.587 3.851 1.00 0.00 H new ATOM 806 N THR A 46 -6.372 -18.041 5.536 1.00 0.00 N ATOM 807 CA THR A 46 -6.767 -16.871 6.311 1.00 0.00 C ATOM 808 C THR A 46 -5.559 -16.211 6.964 1.00 0.00 C ATOM 809 O THR A 46 -5.453 -14.985 7.002 1.00 0.00 O ATOM 810 CB THR A 46 -7.790 -17.240 7.402 1.00 0.00 C ATOM 811 OG1 THR A 46 -8.134 -16.076 8.163 1.00 0.00 O ATOM 812 CG2 THR A 46 -7.231 -18.310 8.328 1.00 0.00 C ATOM 0 H THR A 46 -6.904 -18.885 5.746 1.00 0.00 H new ATOM 0 HA THR A 46 -7.227 -16.170 5.614 1.00 0.00 H new ATOM 0 HB THR A 46 -8.682 -17.633 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.786 -16.318 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.971 -18.554 9.090 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.996 -19.204 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.325 -17.939 8.808 1.00 0.00 H new ATOM 820 N HIS A 47 -4.647 -17.031 7.478 1.00 0.00 N ATOM 821 CA HIS A 47 -3.444 -16.526 8.129 1.00 0.00 C ATOM 822 C HIS A 47 -2.646 -15.637 7.181 1.00 0.00 C ATOM 823 O HIS A 47 -2.095 -14.613 7.588 1.00 0.00 O ATOM 824 CB HIS A 47 -2.574 -17.686 8.613 1.00 0.00 C ATOM 825 CG HIS A 47 -1.343 -17.248 9.345 1.00 0.00 C ATOM 826 ND1 HIS A 47 -1.202 -17.358 10.712 1.00 0.00 N ATOM 827 CD2 HIS A 47 -0.193 -16.697 8.892 1.00 0.00 C ATOM 828 CE1 HIS A 47 -0.018 -16.893 11.068 1.00 0.00 C ATOM 829 NE2 HIS A 47 0.614 -16.486 9.982 1.00 0.00 N ATOM 0 H HIS A 47 -4.719 -18.048 7.456 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.750 -15.929 8.988 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.167 -18.326 9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.280 -18.291 7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.045 -16.466 7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.368 -16.852 12.076 1.00 0.00 H new ATOM 0 HE2 HIS A 47 1.550 -16.081 9.957 1.00 0.00 H new ATOM 838 N LEU A 48 -2.586 -16.034 5.914 1.00 0.00 N ATOM 839 CA LEU A 48 -1.854 -15.273 4.907 1.00 0.00 C ATOM 840 C LEU A 48 -2.535 -13.936 4.634 1.00 0.00 C ATOM 841 O LEU A 48 -1.893 -12.886 4.657 1.00 0.00 O ATOM 842 CB LEU A 48 -1.746 -16.078 3.611 1.00 0.00 C ATOM 843 CG LEU A 48 -0.591 -15.703 2.682 1.00 0.00 C ATOM 844 CD1 LEU A 48 -0.122 -16.917 1.896 1.00 0.00 C ATOM 845 CD2 LEU A 48 -1.007 -14.583 1.740 1.00 0.00 C ATOM 0 H LEU A 48 -3.035 -16.878 5.560 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.853 -15.078 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.651 -17.133 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.680 -15.968 3.060 1.00 0.00 H new ATOM 0 HG LEU A 48 0.240 -15.348 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.700 -16.631 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.217 -17.689 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.946 -17.303 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.173 -14.329 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.854 -14.910 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.293 -13.706 2.321 1.00 0.00 H new ATOM 857 N ARG A 49 -3.838 -13.983 4.376 1.00 0.00 N ATOM 858 CA ARG A 49 -4.606 -12.775 4.099 1.00 0.00 C ATOM 859 C ARG A 49 -4.561 -11.818 5.287 1.00 0.00 C ATOM 860 O ARG A 49 -4.272 -10.632 5.129 1.00 0.00 O ATOM 861 CB ARG A 49 -6.057 -13.131 3.773 1.00 0.00 C ATOM 862 CG ARG A 49 -6.227 -14.528 3.197 1.00 0.00 C ATOM 863 CD ARG A 49 -7.605 -14.713 2.583 1.00 0.00 C ATOM 864 NE ARG A 49 -7.801 -13.866 1.409 1.00 0.00 N ATOM 865 CZ ARG A 49 -8.994 -13.476 0.975 1.00 0.00 C ATOM 866 NH1 ARG A 49 -10.092 -13.855 1.614 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.090 -12.705 -0.101 1.00 0.00 N ATOM 0 H ARG A 49 -4.384 -14.844 4.353 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.158 -12.280 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.656 -13.046 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.450 -12.404 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.463 -14.706 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.075 -15.268 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.739 -15.758 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.367 -14.482 3.327 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.976 -13.557 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.022 -14.448 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.007 -13.554 1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.247 -12.412 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.007 -12.406 -0.434 1.00 0.00 H new ATOM 881 N GLN A 50 -4.848 -12.342 6.474 1.00 0.00 N ATOM 882 CA GLN A 50 -4.842 -11.533 7.687 1.00 0.00 C ATOM 883 C GLN A 50 -3.518 -10.791 7.839 1.00 0.00 C ATOM 884 O GLN A 50 -3.495 -9.592 8.117 1.00 0.00 O ATOM 885 CB GLN A 50 -5.090 -12.413 8.913 1.00 0.00 C ATOM 886 CG GLN A 50 -4.780 -11.722 10.231 1.00 0.00 C ATOM 887 CD GLN A 50 -5.912 -10.830 10.703 1.00 0.00 C ATOM 888 OE1 GLN A 50 -6.939 -10.706 10.036 1.00 0.00 O ATOM 889 NE2 GLN A 50 -5.728 -10.202 11.858 1.00 0.00 N ATOM 0 H GLN A 50 -5.087 -13.322 6.622 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.643 -10.798 7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.132 -12.732 8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.481 -13.314 8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.574 -12.475 10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.875 -11.125 10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.860 -10.334 12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.454 -9.587 12.226 1.00 0.00 H new ATOM 898 N LYS A 51 -2.417 -11.511 7.656 1.00 0.00 N ATOM 899 CA LYS A 51 -1.088 -10.922 7.772 1.00 0.00 C ATOM 900 C LYS A 51 -0.955 -9.700 6.869 1.00 0.00 C ATOM 901 O LYS A 51 -0.570 -8.622 7.322 1.00 0.00 O ATOM 902 CB LYS A 51 -0.017 -11.954 7.413 1.00 0.00 C ATOM 903 CG LYS A 51 1.400 -11.477 7.677 1.00 0.00 C ATOM 904 CD LYS A 51 2.429 -12.463 7.149 1.00 0.00 C ATOM 905 CE LYS A 51 2.470 -13.729 7.991 1.00 0.00 C ATOM 906 NZ LYS A 51 3.825 -14.348 7.995 1.00 0.00 N ATOM 0 H LYS A 51 -2.419 -12.505 7.426 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.946 -10.606 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.197 -12.865 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.113 -12.214 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.551 -10.505 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.544 -11.338 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.193 -12.719 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.414 -11.996 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.175 -13.495 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.744 -14.445 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.812 -15.208 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.097 -14.595 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.513 -13.674 8.386 1.00 0.00 H new ATOM 920 N TRP A 52 -1.275 -9.875 5.593 1.00 0.00 N ATOM 921 CA TRP A 52 -1.192 -8.785 4.627 1.00 0.00 C ATOM 922 C TRP A 52 -2.224 -7.706 4.934 1.00 0.00 C ATOM 923 O TRP A 52 -1.981 -6.521 4.709 1.00 0.00 O ATOM 924 CB TRP A 52 -1.399 -9.317 3.208 1.00 0.00 C ATOM 925 CG TRP A 52 -0.240 -10.120 2.700 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.279 -11.389 2.197 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.131 -9.708 2.647 1.00 0.00 C ATOM 928 NE1 TRP A 52 0.984 -11.791 1.835 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.866 -10.778 2.100 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.807 -8.540 3.006 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.243 -10.712 1.907 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.174 -8.475 2.814 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.880 -9.555 2.267 1.00 0.00 C ATOM 0 H TRP A 52 -1.595 -10.761 5.202 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.199 -8.343 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.297 -9.935 3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.573 -8.478 2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.172 -11.989 2.098 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.225 -12.697 1.434 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.271 -7.702 3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.789 -11.544 1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.707 -7.577 3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.948 -9.473 2.127 1.00 0.00 H new ATOM 944 N GLN A 53 -3.376 -8.124 5.449 1.00 0.00 N ATOM 945 CA GLN A 53 -4.445 -7.191 5.787 1.00 0.00 C ATOM 946 C GLN A 53 -3.943 -6.107 6.734 1.00 0.00 C ATOM 947 O GLN A 53 -4.265 -4.931 6.573 1.00 0.00 O ATOM 948 CB GLN A 53 -5.620 -7.937 6.422 1.00 0.00 C ATOM 949 CG GLN A 53 -6.883 -7.100 6.533 1.00 0.00 C ATOM 950 CD GLN A 53 -7.777 -7.540 7.676 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.762 -8.704 8.077 1.00 0.00 O ATOM 952 NE2 GLN A 53 -8.562 -6.610 8.206 1.00 0.00 N ATOM 0 H GLN A 53 -3.593 -9.102 5.641 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.782 -6.715 4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.835 -8.828 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.330 -8.276 7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.610 -6.054 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.439 -7.162 5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.542 -5.657 7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.186 -6.848 8.977 1.00 0.00 H new ATOM 961 N GLN A 54 -3.152 -6.513 7.723 1.00 0.00 N ATOM 962 CA GLN A 54 -2.606 -5.575 8.697 1.00 0.00 C ATOM 963 C GLN A 54 -1.748 -4.516 8.012 1.00 0.00 C ATOM 964 O GLN A 54 -1.809 -3.336 8.355 1.00 0.00 O ATOM 965 CB GLN A 54 -1.778 -6.320 9.745 1.00 0.00 C ATOM 966 CG GLN A 54 -1.454 -5.483 10.972 1.00 0.00 C ATOM 967 CD GLN A 54 -1.240 -6.326 12.214 1.00 0.00 C ATOM 968 OE1 GLN A 54 -0.988 -7.528 12.126 1.00 0.00 O ATOM 969 NE2 GLN A 54 -1.340 -5.699 13.380 1.00 0.00 N ATOM 0 H GLN A 54 -2.876 -7.484 7.870 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.440 -5.076 9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.320 -7.212 10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.847 -6.656 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.558 -4.894 10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.266 -4.778 11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.550 -4.701 13.406 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.206 -6.215 14.250 1.00 0.00 H new ATOM 978 N VAL A 55 -0.947 -4.947 7.042 1.00 0.00 N ATOM 979 CA VAL A 55 -0.076 -4.036 6.309 1.00 0.00 C ATOM 980 C VAL A 55 -0.875 -3.180 5.332 1.00 0.00 C ATOM 981 O VAL A 55 -0.597 -1.993 5.161 1.00 0.00 O ATOM 982 CB VAL A 55 1.011 -4.803 5.533 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.892 -3.838 4.754 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.844 -5.651 6.481 1.00 0.00 C ATOM 0 H VAL A 55 -0.884 -5.921 6.746 1.00 0.00 H new ATOM 0 HA VAL A 55 0.401 -3.391 7.046 1.00 0.00 H new ATOM 0 HB VAL A 55 0.523 -5.468 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.654 -4.398 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.281 -3.278 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.373 -3.146 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.607 -6.186 5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.323 -5.008 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.200 -6.368 6.989 1.00 0.00 H new ATOM 994 N TRP A 56 -1.867 -3.791 4.694 1.00 0.00 N ATOM 995 CA TRP A 56 -2.707 -3.084 3.733 1.00 0.00 C ATOM 996 C TRP A 56 -3.322 -1.838 4.361 1.00 0.00 C ATOM 997 O TRP A 56 -3.414 -0.791 3.721 1.00 0.00 O ATOM 998 CB TRP A 56 -3.811 -4.007 3.214 1.00 0.00 C ATOM 999 CG TRP A 56 -4.655 -3.380 2.146 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.550 -3.575 0.799 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.731 -2.455 2.337 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.497 -2.828 0.140 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.234 -2.132 1.062 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.320 -1.870 3.461 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.297 -1.250 0.882 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.374 -0.995 3.281 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.854 -0.692 2.000 1.00 0.00 C ATOM 0 H TRP A 56 -2.109 -4.773 4.824 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.079 -2.775 2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.359 -4.918 2.822 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.450 -4.301 4.046 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.829 -4.221 0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.630 -2.797 -0.871 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.958 -2.098 4.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.668 -1.015 -0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.836 -0.537 4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.680 -0.004 1.893 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.740 -1.959 5.617 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.347 -0.841 6.330 1.00 0.00 C ATOM 1020 C GLN A 57 -3.368 0.322 6.453 1.00 0.00 C ATOM 1021 O GLN A 57 -3.746 1.482 6.294 1.00 0.00 O ATOM 1022 CB GLN A 57 -4.808 -1.285 7.720 1.00 0.00 C ATOM 1023 CG GLN A 57 -5.861 -2.380 7.690 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.739 -2.379 8.926 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.562 -1.483 9.116 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -6.568 -3.386 9.775 1.00 0.00 N ATOM 0 H GLN A 57 -3.670 -2.819 6.161 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.212 -0.505 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.945 -1.638 8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.207 -0.423 8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.485 -2.254 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.370 -3.349 7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.874 -4.107 9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.131 -3.438 10.624 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.110 0.002 6.739 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.077 1.022 6.884 1.00 0.00 C ATOM 1037 C GLU A 58 -0.798 1.708 5.550 1.00 0.00 C ATOM 1038 O GLU A 58 -0.801 2.936 5.459 1.00 0.00 O ATOM 1039 CB GLU A 58 0.210 0.401 7.431 1.00 0.00 C ATOM 1040 CG GLU A 58 0.054 -0.205 8.815 1.00 0.00 C ATOM 1041 CD GLU A 58 1.200 -1.128 9.181 1.00 0.00 C ATOM 1042 OE1 GLU A 58 2.357 -0.659 9.199 1.00 0.00 O ATOM 1043 OE2 GLU A 58 0.939 -2.319 9.450 1.00 0.00 O ATOM 0 H GLU A 58 -1.781 -0.954 6.875 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.438 1.771 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.552 -0.371 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.987 1.165 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.013 0.595 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.883 -0.760 8.861 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.556 0.906 4.518 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.276 1.435 3.190 1.00 0.00 C ATOM 1052 C ILE A 59 -1.401 2.347 2.712 1.00 0.00 C ATOM 1053 O ILE A 59 -1.156 3.456 2.241 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.077 0.303 2.164 1.00 0.00 C ATOM 1055 CG1 ILE A 59 1.109 -0.576 2.565 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.132 0.881 0.772 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.189 -1.873 1.790 1.00 0.00 C ATOM 0 H ILE A 59 -0.548 -0.112 4.577 1.00 0.00 H new ATOM 0 HA ILE A 59 0.646 2.011 3.268 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.974 -0.315 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.032 -0.016 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.040 -0.802 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.271 0.069 0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.741 1.469 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.015 1.520 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.053 -2.445 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.282 -2.454 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.289 -1.656 0.727 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.635 1.871 2.840 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.799 2.645 2.422 1.00 0.00 C ATOM 1071 C ASN A 60 -3.840 3.994 3.134 1.00 0.00 C ATOM 1072 O ASN A 60 -4.134 5.021 2.524 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.084 1.866 2.708 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.272 2.778 2.946 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -7.005 3.117 2.017 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.469 3.180 4.197 1.00 0.00 N ATOM 0 H ASN A 60 -2.855 0.954 3.229 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.720 2.823 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.299 1.205 1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.935 1.233 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.253 3.794 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.836 2.874 4.936 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.541 3.982 4.430 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.542 5.204 5.225 1.00 0.00 C ATOM 1085 C VAL A 61 -2.384 6.115 4.833 1.00 0.00 C ATOM 1086 O VAL A 61 -2.550 7.329 4.716 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.449 4.894 6.731 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.295 6.177 7.532 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.671 4.112 7.189 1.00 0.00 C ATOM 0 H VAL A 61 -3.295 3.140 4.951 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.485 5.712 5.024 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.566 4.279 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.231 5.938 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.387 6.693 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.157 6.821 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.589 3.901 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.570 4.700 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.730 3.174 6.637 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.212 5.521 4.630 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.027 6.280 4.251 1.00 0.00 C ATOM 1101 C GLU A 62 -0.316 7.177 3.051 1.00 0.00 C ATOM 1102 O GLU A 62 -0.035 8.375 3.076 1.00 0.00 O ATOM 1103 CB GLU A 62 1.131 5.334 3.927 1.00 0.00 C ATOM 1104 CG GLU A 62 2.329 6.028 3.303 1.00 0.00 C ATOM 1105 CD GLU A 62 2.986 7.018 4.245 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.280 7.921 4.743 1.00 0.00 O ATOM 1107 OE2 GLU A 62 4.205 6.891 4.486 1.00 0.00 O ATOM 0 H GLU A 62 -1.058 4.517 4.722 1.00 0.00 H new ATOM 0 HA GLU A 62 0.254 6.910 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.448 4.835 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.776 4.559 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.061 5.279 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.013 6.548 2.399 1.00 0.00 H new ATOM 1114 N ALA A 63 -0.879 6.588 2.001 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.207 7.332 0.792 1.00 0.00 C ATOM 1116 C ALA A 63 -2.116 8.516 1.106 1.00 0.00 C ATOM 1117 O ALA A 63 -1.941 9.607 0.563 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.865 6.417 -0.229 1.00 0.00 C ATOM 0 H ALA A 63 -1.117 5.597 1.964 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.279 7.720 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.104 6.987 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.182 5.607 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.780 6.001 0.192 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.086 8.294 1.986 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.023 9.342 2.374 1.00 0.00 C ATOM 1126 C LYS A 64 -3.280 10.598 2.819 1.00 0.00 C ATOM 1127 O LYS A 64 -3.622 11.708 2.412 1.00 0.00 O ATOM 1128 CB LYS A 64 -4.934 8.850 3.500 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.304 9.506 3.506 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.370 8.565 4.042 1.00 0.00 C ATOM 1131 CE LYS A 64 -8.769 9.057 3.702 1.00 0.00 C ATOM 1132 NZ LYS A 64 -9.813 8.345 4.489 1.00 0.00 N ATOM 0 H LYS A 64 -3.244 7.397 2.445 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.632 9.590 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.058 7.771 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.447 9.036 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.274 10.409 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.565 9.815 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.222 7.569 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.267 8.475 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.835 10.128 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.956 8.914 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.752 8.708 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.767 7.326 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.650 8.502 5.504 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.263 10.414 3.654 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.472 11.533 4.153 1.00 0.00 C ATOM 1148 C GLN A 65 -0.860 12.323 3.001 1.00 0.00 C ATOM 1149 O GLN A 65 -1.060 13.533 2.889 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.369 11.030 5.085 1.00 0.00 C ATOM 1151 CG GLN A 65 -0.891 10.251 6.282 1.00 0.00 C ATOM 1152 CD GLN A 65 0.079 10.251 7.447 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -0.034 11.065 8.364 1.00 0.00 O ATOM 1154 NE2 GLN A 65 1.041 9.336 7.417 1.00 0.00 N ATOM 0 H GLN A 65 -1.967 9.501 3.999 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.135 12.194 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.312 10.395 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.210 11.882 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.840 10.680 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.092 9.223 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.097 8.681 6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.723 9.289 8.174 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.114 11.631 2.146 1.00 0.00 N ATOM 1164 CA VAL A 66 0.527 12.268 1.002 1.00 0.00 C ATOM 1165 C VAL A 66 -0.462 13.134 0.230 1.00 0.00 C ATOM 1166 O VAL A 66 -0.101 14.182 -0.307 1.00 0.00 O ATOM 1167 CB VAL A 66 1.134 11.224 0.045 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.646 11.894 -1.221 1.00 0.00 C ATOM 1169 CG2 VAL A 66 2.247 10.452 0.738 1.00 0.00 C ATOM 0 H VAL A 66 0.061 10.629 2.224 1.00 0.00 H new ATOM 0 HA VAL A 66 1.326 12.896 1.396 1.00 0.00 H new ATOM 0 HB VAL A 66 0.354 10.517 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.071 11.141 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.821 12.398 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.413 12.624 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.665 9.719 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.029 11.144 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.845 9.940 1.612 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.713 12.690 0.177 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.757 13.424 -0.528 1.00 0.00 C ATOM 1181 C LYS A 67 -3.112 14.710 0.212 1.00 0.00 C ATOM 1182 O LYS A 67 -3.466 15.715 -0.405 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.005 12.553 -0.685 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.062 13.161 -1.590 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.158 12.161 -1.919 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.305 12.818 -2.671 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.006 12.960 -4.123 1.00 0.00 N ATOM 0 H LYS A 67 -2.029 11.824 0.614 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.378 13.686 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.712 11.582 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.440 12.375 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.499 14.034 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.596 13.508 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.744 11.351 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.534 11.715 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.210 12.225 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.504 13.801 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.812 13.412 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.156 13.547 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.841 12.020 -4.537 1.00 0.00 H new ATOM 1201 N ASP A 68 -3.014 14.672 1.536 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.322 15.835 2.360 1.00 0.00 C ATOM 1203 C ASP A 68 -2.179 16.844 2.324 1.00 0.00 C ATOM 1204 O ASP A 68 -2.398 18.039 2.121 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.597 15.407 3.802 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.851 16.588 4.718 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -2.869 17.149 5.250 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -5.031 16.953 4.902 1.00 0.00 O ATOM 0 H ASP A 68 -2.723 13.848 2.062 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.215 16.311 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.461 14.743 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.747 14.836 4.177 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.959 16.356 2.525 1.00 0.00 N ATOM 1214 CA ILE A 69 0.218 17.215 2.516 1.00 0.00 C ATOM 1215 C ILE A 69 0.358 17.942 1.183 1.00 0.00 C ATOM 1216 O ILE A 69 0.774 19.100 1.136 1.00 0.00 O ATOM 1217 CB ILE A 69 1.504 16.412 2.787 1.00 0.00 C ATOM 1218 CG1 ILE A 69 1.920 15.637 1.535 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.298 15.463 3.959 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.261 14.950 1.668 1.00 0.00 C ATOM 0 H ILE A 69 -0.761 15.370 2.696 1.00 0.00 H new ATOM 0 HA ILE A 69 0.081 17.945 3.313 1.00 0.00 H new ATOM 0 HB ILE A 69 2.303 17.108 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.159 14.890 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.954 16.322 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.215 14.902 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.042 16.036 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.489 14.770 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.492 14.420 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.033 15.694 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.226 14.240 2.494 1.00 0.00 H new ATOM 1232 N MET A 70 0.006 17.256 0.101 1.00 0.00 N ATOM 1233 CA MET A 70 0.089 17.838 -1.234 1.00 0.00 C ATOM 1234 C MET A 70 -0.972 18.917 -1.423 1.00 0.00 C ATOM 1235 O MET A 70 -2.077 18.816 -0.891 1.00 0.00 O ATOM 1236 CB MET A 70 -0.076 16.752 -2.298 1.00 0.00 C ATOM 1237 CG MET A 70 -1.514 16.300 -2.488 1.00 0.00 C ATOM 1238 SD MET A 70 -1.815 15.609 -4.126 1.00 0.00 S ATOM 1239 CE MET A 70 -3.519 16.095 -4.390 1.00 0.00 C ATOM 0 H MET A 70 -0.339 16.297 0.122 1.00 0.00 H new ATOM 0 HA MET A 70 1.072 18.297 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.307 17.125 -3.248 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.534 15.891 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.759 15.553 -1.733 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.181 17.147 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.852 15.739 -5.365 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.146 15.660 -3.612 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.597 17.182 -4.354 1.00 0.00 H new