USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 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 12 MET CE :methyl 145:sc= -0.145 (180deg=-2.3!) USER MOD Set 1.2: A 43 MET CE :methyl 180:sc= -0.0203 (180deg=-0.0203) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -2.26! C(o=-2.1!,f=-4.4!) USER MOD Set 2.2: A 98 SER OG : rot 49:sc= 0.147 USER MOD Single : A 10 HIS : no HD1:sc= -0.425 X(o=-0.43,f=-0.033) USER MOD Single : A 21 SER OG : rot -81:sc= 0.422 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -172:sc= -2.94! (180deg=-3.09!) USER MOD Single : A 41 HIS : no HD1:sc= -0.891 X(o=-0.89,f=-1) USER MOD Single : A 44 MET CE :methyl -171:sc= -0.784 (180deg=-1.09) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -6:sc= -1.2! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.72 K(o=-2.7,f=-8.5!) USER MOD Single : A 58 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.3) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.2) USER MOD Single : A 71 CYS SG : rot -51:sc= 0.0292 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.48) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 143:sc= 0.112 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 5.917 -10.215 -12.833 1.00 0.00 N ATOM 106 CA ILE A 7 5.943 -8.930 -12.101 1.00 0.00 C ATOM 107 C ILE A 7 4.889 -8.906 -10.975 1.00 0.00 C ATOM 108 O ILE A 7 3.769 -8.433 -11.137 1.00 0.00 O ATOM 109 CB ILE A 7 5.897 -7.748 -13.107 1.00 0.00 C ATOM 110 CG1 ILE A 7 6.352 -6.400 -12.510 1.00 0.00 C ATOM 111 CG2 ILE A 7 4.602 -7.643 -13.933 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.480 -5.726 -11.441 1.00 0.00 C ATOM 0 HA ILE A 7 6.886 -8.811 -11.568 1.00 0.00 H new ATOM 0 HB ILE A 7 6.658 -8.014 -13.841 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.343 -6.548 -12.081 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.464 -5.696 -13.335 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.667 -6.787 -14.605 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.468 -8.554 -14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.752 -7.514 -13.263 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.944 -4.790 -11.130 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.492 -5.522 -11.853 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.384 -6.387 -10.580 1.00 0.00 H new ATOM 124 N LEU A 8 5.246 -9.531 -9.858 1.00 0.00 N ATOM 125 CA LEU A 8 4.297 -9.638 -8.735 1.00 0.00 C ATOM 126 C LEU A 8 3.911 -8.259 -8.169 1.00 0.00 C ATOM 127 O LEU A 8 4.480 -7.232 -8.536 1.00 0.00 O ATOM 128 CB LEU A 8 4.826 -10.570 -7.638 1.00 0.00 C ATOM 129 CG LEU A 8 5.019 -12.037 -8.044 1.00 0.00 C ATOM 130 CD1 LEU A 8 5.268 -12.829 -6.763 1.00 0.00 C ATOM 131 CD2 LEU A 8 3.846 -12.637 -8.833 1.00 0.00 C ATOM 0 H LEU A 8 6.156 -9.963 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 8 3.385 -10.083 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.782 -10.181 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.138 -10.534 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 8 5.864 -12.091 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.411 -13.881 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.160 -12.447 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.411 -12.724 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.066 -13.676 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.940 -12.591 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.698 -12.070 -9.752 1.00 0.00 H new ATOM 143 N TRP A 9 3.007 -8.274 -7.197 1.00 0.00 N ATOM 144 CA TRP A 9 2.554 -7.033 -6.540 1.00 0.00 C ATOM 145 C TRP A 9 3.419 -6.601 -5.355 1.00 0.00 C ATOM 146 O TRP A 9 3.877 -5.465 -5.334 1.00 0.00 O ATOM 147 CB TRP A 9 1.082 -7.111 -6.149 1.00 0.00 C ATOM 148 CG TRP A 9 0.183 -7.141 -7.391 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.339 -6.411 -8.498 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.039 -7.767 -7.475 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.755 -6.507 -9.245 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.623 -7.320 -8.670 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.754 -8.577 -6.610 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -2.927 -7.678 -8.960 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.060 -8.933 -6.902 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.647 -8.478 -8.086 1.00 0.00 C ATOM 0 H TRP A 9 2.569 -9.123 -6.840 1.00 0.00 H new ATOM 0 HA TRP A 9 2.673 -6.252 -7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.909 -8.004 -5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.821 -6.254 -5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.217 -5.833 -8.747 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.903 -6.024 -10.131 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.291 -8.934 -5.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.388 -7.332 -9.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.620 -9.557 -6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.665 -8.751 -8.321 1.00 0.00 H new ATOM 167 N HIS A 10 3.853 -7.592 -4.571 1.00 0.00 N ATOM 168 CA HIS A 10 4.861 -7.432 -3.495 1.00 0.00 C ATOM 169 C HIS A 10 6.118 -6.664 -3.966 1.00 0.00 C ATOM 170 O HIS A 10 6.638 -5.816 -3.251 1.00 0.00 O ATOM 171 CB HIS A 10 5.168 -8.846 -2.964 1.00 0.00 C ATOM 172 CG HIS A 10 6.632 -9.181 -2.603 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.163 -9.272 -1.392 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.593 -9.398 -3.491 1.00 0.00 C ATOM 175 CE1 HIS A 10 8.474 -9.500 -1.540 1.00 0.00 C ATOM 176 NE2 HIS A 10 8.730 -9.594 -2.839 1.00 0.00 N ATOM 0 H HIS A 10 3.513 -8.550 -4.660 1.00 0.00 H new ATOM 0 HA HIS A 10 4.470 -6.811 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.559 -9.009 -2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.836 -9.564 -3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.470 -9.413 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.196 -9.591 -0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.639 -9.783 -3.260 1.00 0.00 H new ATOM 184 N GLU A 11 6.469 -6.897 -5.233 1.00 0.00 N ATOM 185 CA GLU A 11 7.639 -6.297 -5.904 1.00 0.00 C ATOM 186 C GLU A 11 7.459 -4.781 -6.040 1.00 0.00 C ATOM 187 O GLU A 11 8.214 -4.001 -5.465 1.00 0.00 O ATOM 188 CB GLU A 11 7.825 -6.925 -7.292 1.00 0.00 C ATOM 189 CG GLU A 11 8.063 -8.440 -7.257 1.00 0.00 C ATOM 190 CD GLU A 11 9.431 -8.861 -6.703 1.00 0.00 C ATOM 191 OE1 GLU A 11 9.818 -8.366 -5.627 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.040 -9.710 -7.387 1.00 0.00 O ATOM 0 H GLU A 11 5.939 -7.522 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 11 8.525 -6.492 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.941 -6.719 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.669 -6.445 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.283 -8.903 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.959 -8.834 -8.268 1.00 0.00 H new ATOM 199 N MET A 12 6.323 -4.400 -6.628 1.00 0.00 N ATOM 200 CA MET A 12 5.986 -2.976 -6.757 1.00 0.00 C ATOM 201 C MET A 12 5.736 -2.367 -5.375 1.00 0.00 C ATOM 202 O MET A 12 6.256 -1.292 -5.158 1.00 0.00 O ATOM 203 CB MET A 12 4.813 -2.673 -7.696 1.00 0.00 C ATOM 204 CG MET A 12 3.439 -2.975 -7.090 1.00 0.00 C ATOM 205 SD MET A 12 2.022 -2.489 -8.121 1.00 0.00 S ATOM 206 CE MET A 12 2.294 -3.600 -9.481 1.00 0.00 C ATOM 0 H MET A 12 5.631 -5.041 -7.016 1.00 0.00 H new ATOM 0 HA MET A 12 6.854 -2.512 -7.226 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.850 -1.622 -7.981 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.932 -3.255 -8.610 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.374 -4.044 -6.890 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.362 -2.466 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.334 -3.929 -9.880 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.856 -3.088 -10.262 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.859 -4.466 -9.136 1.00 0.00 H new ATOM 216 N TRP A 13 5.046 -3.079 -4.472 1.00 0.00 N ATOM 217 CA TRP A 13 4.725 -2.637 -3.099 1.00 0.00 C ATOM 218 C TRP A 13 5.833 -1.835 -2.416 1.00 0.00 C ATOM 219 O TRP A 13 5.592 -0.675 -2.113 1.00 0.00 O ATOM 220 CB TRP A 13 4.292 -3.829 -2.243 1.00 0.00 C ATOM 221 CG TRP A 13 2.769 -3.976 -2.069 1.00 0.00 C ATOM 222 CD1 TRP A 13 2.198 -4.546 -1.008 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.756 -3.586 -2.924 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.879 -4.531 -1.155 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.555 -3.957 -2.298 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.713 -2.982 -4.165 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.647 -3.712 -2.930 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.514 -2.789 -4.821 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.673 -3.164 -4.200 1.00 0.00 C ATOM 0 H TRP A 13 4.682 -4.009 -4.680 1.00 0.00 H new ATOM 0 HA TRP A 13 3.894 -1.939 -3.196 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.683 -4.742 -2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.749 -3.737 -1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.727 -4.956 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.212 -4.909 -0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.632 -2.656 -4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.574 -3.950 -2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.498 -2.351 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.615 -3.027 -4.710 1.00 0.00 H new ATOM 240 N HIS A 14 7.065 -2.302 -2.618 1.00 0.00 N ATOM 241 CA HIS A 14 8.288 -1.567 -2.239 1.00 0.00 C ATOM 242 C HIS A 14 8.290 -0.106 -2.728 1.00 0.00 C ATOM 243 O HIS A 14 7.997 0.805 -1.956 1.00 0.00 O ATOM 244 CB HIS A 14 9.504 -2.312 -2.791 1.00 0.00 C ATOM 245 CG HIS A 14 10.358 -2.948 -1.695 1.00 0.00 C ATOM 246 ND1 HIS A 14 11.138 -4.002 -1.878 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.552 -2.494 -0.457 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.816 -4.207 -0.750 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.451 -3.278 0.128 1.00 0.00 N ATOM 0 H HIS A 14 7.252 -3.206 -3.052 1.00 0.00 H new ATOM 0 HA HIS A 14 8.325 -1.524 -1.150 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.167 -3.088 -3.479 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.118 -1.619 -3.367 1.00 0.00 H new ATOM 0 HD1 HIS A 14 11.207 -4.558 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.065 -1.640 -0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.537 -4.992 -0.578 1.00 0.00 H new ATOM 257 N GLU A 15 8.412 0.081 -4.042 1.00 0.00 N ATOM 258 CA GLU A 15 8.364 1.410 -4.694 1.00 0.00 C ATOM 259 C GLU A 15 6.967 2.045 -4.673 1.00 0.00 C ATOM 260 O GLU A 15 6.844 3.248 -4.501 1.00 0.00 O ATOM 261 CB GLU A 15 8.871 1.368 -6.142 1.00 0.00 C ATOM 262 CG GLU A 15 7.937 0.616 -7.101 1.00 0.00 C ATOM 263 CD GLU A 15 8.454 0.592 -8.534 1.00 0.00 C ATOM 264 OE1 GLU A 15 9.379 -0.211 -8.765 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.849 1.297 -9.371 1.00 0.00 O ATOM 0 H GLU A 15 8.549 -0.687 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 15 9.031 2.032 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.002 2.389 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.853 0.896 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.810 -0.408 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.953 1.084 -7.083 1.00 0.00 H new ATOM 272 N GLY A 16 5.921 1.238 -4.859 1.00 0.00 N ATOM 273 CA GLY A 16 4.522 1.686 -4.883 1.00 0.00 C ATOM 274 C GLY A 16 4.171 2.405 -3.576 1.00 0.00 C ATOM 275 O GLY A 16 3.561 3.467 -3.608 1.00 0.00 O ATOM 0 H GLY A 16 6.022 0.233 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.362 2.355 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.861 0.830 -5.024 1.00 0.00 H new ATOM 279 N LEU A 17 4.769 1.908 -2.493 1.00 0.00 N ATOM 280 CA LEU A 17 4.742 2.541 -1.169 1.00 0.00 C ATOM 281 C LEU A 17 5.845 3.577 -0.977 1.00 0.00 C ATOM 282 O LEU A 17 5.543 4.636 -0.454 1.00 0.00 O ATOM 283 CB LEU A 17 4.801 1.489 -0.061 1.00 0.00 C ATOM 284 CG LEU A 17 3.392 1.026 0.304 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.473 -0.301 1.050 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.736 2.072 1.207 1.00 0.00 C ATOM 0 H LEU A 17 5.298 1.036 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 17 3.794 3.076 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.397 0.638 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.294 1.904 0.818 1.00 0.00 H new ATOM 0 HG LEU A 17 2.802 0.900 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.468 -0.633 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.948 -1.048 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.061 -0.172 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.730 1.746 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.328 2.192 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.682 3.025 0.681 1.00 0.00 H new ATOM 298 N GLU A 18 6.992 3.405 -1.626 1.00 0.00 N ATOM 299 CA GLU A 18 8.127 4.346 -1.548 1.00 0.00 C ATOM 300 C GLU A 18 7.805 5.666 -2.261 1.00 0.00 C ATOM 301 O GLU A 18 7.658 6.663 -1.573 1.00 0.00 O ATOM 302 CB GLU A 18 9.408 3.731 -2.121 1.00 0.00 C ATOM 303 CG GLU A 18 10.653 4.521 -1.702 1.00 0.00 C ATOM 304 CD GLU A 18 11.068 4.200 -0.265 1.00 0.00 C ATOM 305 OE1 GLU A 18 10.348 4.648 0.654 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.109 3.524 -0.128 1.00 0.00 O ATOM 0 H GLU A 18 7.171 2.603 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 18 8.296 4.557 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.500 2.699 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.343 3.704 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.476 4.290 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.455 5.589 -1.794 1.00 0.00 H new ATOM 313 N GLU A 19 7.358 5.584 -3.513 1.00 0.00 N ATOM 314 CA GLU A 19 6.915 6.730 -4.332 1.00 0.00 C ATOM 315 C GLU A 19 5.711 7.454 -3.702 1.00 0.00 C ATOM 316 O GLU A 19 5.434 8.592 -4.049 1.00 0.00 O ATOM 317 CB GLU A 19 6.624 6.264 -5.770 1.00 0.00 C ATOM 318 CG GLU A 19 6.249 7.396 -6.744 1.00 0.00 C ATOM 319 CD GLU A 19 7.233 8.573 -6.706 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.436 8.310 -6.917 1.00 0.00 O ATOM 321 OE2 GLU A 19 6.760 9.704 -6.454 1.00 0.00 O ATOM 0 H GLU A 19 7.289 4.695 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 19 7.722 7.462 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.502 5.746 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.811 5.538 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.208 6.997 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.249 7.758 -6.504 1.00 0.00 H new ATOM 328 N ALA A 20 5.031 6.779 -2.780 1.00 0.00 N ATOM 329 CA ALA A 20 3.933 7.338 -1.974 1.00 0.00 C ATOM 330 C ALA A 20 4.402 7.919 -0.635 1.00 0.00 C ATOM 331 O ALA A 20 4.321 9.120 -0.389 1.00 0.00 O ATOM 332 CB ALA A 20 2.917 6.237 -1.708 1.00 0.00 C ATOM 0 H ALA A 20 5.228 5.802 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 20 3.497 8.160 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.096 6.636 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.529 5.864 -2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.397 5.422 -1.166 1.00 0.00 H new ATOM 338 N SER A 21 4.897 7.045 0.232 1.00 0.00 N ATOM 339 CA SER A 21 5.452 7.380 1.552 1.00 0.00 C ATOM 340 C SER A 21 6.557 8.440 1.454 1.00 0.00 C ATOM 341 O SER A 21 6.611 9.284 2.330 1.00 0.00 O ATOM 342 CB SER A 21 5.952 6.132 2.294 1.00 0.00 C ATOM 343 OG SER A 21 7.146 5.595 1.714 1.00 0.00 O ATOM 0 H SER A 21 4.927 6.045 0.035 1.00 0.00 H new ATOM 0 HA SER A 21 4.636 7.807 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.140 6.384 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.172 5.370 2.285 1.00 0.00 H new ATOM 0 HG SER A 21 6.913 5.042 0.939 1.00 0.00 H new ATOM 349 N ARG A 22 7.217 8.547 0.297 1.00 0.00 N ATOM 350 CA ARG A 22 8.193 9.614 -0.015 1.00 0.00 C ATOM 351 C ARG A 22 7.505 10.961 -0.299 1.00 0.00 C ATOM 352 O ARG A 22 8.080 12.020 -0.078 1.00 0.00 O ATOM 353 CB ARG A 22 9.041 9.232 -1.233 1.00 0.00 C ATOM 354 CG ARG A 22 10.276 10.121 -1.393 1.00 0.00 C ATOM 355 CD ARG A 22 11.093 9.722 -2.619 1.00 0.00 C ATOM 356 NE ARG A 22 10.543 10.286 -3.868 1.00 0.00 N ATOM 357 CZ ARG A 22 10.934 9.945 -5.100 1.00 0.00 C ATOM 358 NH1 ARG A 22 11.794 8.954 -5.301 1.00 0.00 N ATOM 359 NH2 ARG A 22 10.446 10.567 -6.159 1.00 0.00 N ATOM 0 H ARG A 22 7.091 7.885 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 22 8.827 9.723 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.356 8.193 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.429 9.301 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.968 11.163 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.897 10.048 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.122 10.060 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.121 8.635 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 22 9.809 10.989 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.170 8.436 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.079 8.710 -6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.764 11.316 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.752 10.298 -7.094 1.00 0.00 H new ATOM 373 N LEU A 23 6.280 10.927 -0.812 1.00 0.00 N ATOM 374 CA LEU A 23 5.496 12.152 -1.055 1.00 0.00 C ATOM 375 C LEU A 23 4.984 12.733 0.269 1.00 0.00 C ATOM 376 O LEU A 23 5.083 13.927 0.505 1.00 0.00 O ATOM 377 CB LEU A 23 4.333 11.904 -2.025 1.00 0.00 C ATOM 378 CG LEU A 23 4.782 11.369 -3.391 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.564 11.002 -4.234 1.00 0.00 C ATOM 380 CD2 LEU A 23 5.644 12.363 -4.173 1.00 0.00 C ATOM 0 H LEU A 23 5.799 10.066 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 23 6.159 12.879 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.640 11.194 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.786 12.835 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 23 5.394 10.490 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.892 10.623 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.985 10.234 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.944 11.886 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.928 11.924 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.077 13.277 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.541 12.596 -3.600 1.00 0.00 H new ATOM 392 N TYR A 24 4.570 11.868 1.190 1.00 0.00 N ATOM 393 CA TYR A 24 4.204 12.288 2.555 1.00 0.00 C ATOM 394 C TYR A 24 5.419 12.605 3.449 1.00 0.00 C ATOM 395 O TYR A 24 5.574 13.716 3.942 1.00 0.00 O ATOM 396 CB TYR A 24 3.291 11.217 3.153 1.00 0.00 C ATOM 397 CG TYR A 24 3.112 11.366 4.660 1.00 0.00 C ATOM 398 CD1 TYR A 24 2.638 12.547 5.231 1.00 0.00 C ATOM 399 CD2 TYR A 24 3.484 10.304 5.473 1.00 0.00 C ATOM 400 CE1 TYR A 24 2.498 12.653 6.599 1.00 0.00 C ATOM 401 CE2 TYR A 24 3.351 10.415 6.839 1.00 0.00 C ATOM 402 CZ TYR A 24 2.860 11.583 7.413 1.00 0.00 C ATOM 403 OH TYR A 24 2.745 11.668 8.755 1.00 0.00 O ATOM 0 H TYR A 24 4.477 10.866 1.023 1.00 0.00 H new ATOM 0 HA TYR A 24 3.669 13.236 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.315 11.267 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.704 10.232 2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.379 13.383 4.598 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.875 9.397 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.110 13.561 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.631 9.586 7.472 1.00 0.00 H new ATOM 0 HH TYR A 24 3.042 10.828 9.163 1.00 0.00 H new ATOM 413 N PHE A 25 6.291 11.625 3.626 1.00 0.00 N ATOM 414 CA PHE A 25 7.511 11.758 4.444 1.00 0.00 C ATOM 415 C PHE A 25 8.634 12.602 3.805 1.00 0.00 C ATOM 416 O PHE A 25 9.695 12.788 4.395 1.00 0.00 O ATOM 417 CB PHE A 25 7.982 10.332 4.729 1.00 0.00 C ATOM 418 CG PHE A 25 8.573 10.205 6.116 1.00 0.00 C ATOM 419 CD1 PHE A 25 7.789 10.459 7.242 1.00 0.00 C ATOM 420 CD2 PHE A 25 9.887 9.769 6.256 1.00 0.00 C ATOM 421 CE1 PHE A 25 8.321 10.278 8.498 1.00 0.00 C ATOM 422 CE2 PHE A 25 10.415 9.586 7.514 1.00 0.00 C ATOM 423 CZ PHE A 25 9.637 9.841 8.646 1.00 0.00 C ATOM 0 H PHE A 25 6.181 10.702 3.207 1.00 0.00 H new ATOM 0 HA PHE A 25 7.269 12.311 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.143 9.644 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.726 10.039 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.769 10.796 7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.490 9.575 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.718 10.475 9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.433 9.244 7.626 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.053 9.700 9.633 1.00 0.00 H new ATOM 433 N GLY A 26 8.340 13.146 2.618 1.00 0.00 N ATOM 434 CA GLY A 26 9.277 13.990 1.850 1.00 0.00 C ATOM 435 C GLY A 26 8.709 15.374 1.515 1.00 0.00 C ATOM 436 O GLY A 26 9.449 16.353 1.457 1.00 0.00 O ATOM 0 H GLY A 26 7.440 13.015 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.198 14.111 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.541 13.479 0.924 1.00 0.00 H new ATOM 440 N GLU A 27 7.406 15.432 1.254 1.00 0.00 N ATOM 441 CA GLU A 27 6.708 16.690 0.913 1.00 0.00 C ATOM 442 C GLU A 27 5.290 16.811 1.504 1.00 0.00 C ATOM 443 O GLU A 27 4.470 17.586 1.012 1.00 0.00 O ATOM 444 CB GLU A 27 6.768 16.904 -0.616 1.00 0.00 C ATOM 445 CG GLU A 27 6.370 15.680 -1.455 1.00 0.00 C ATOM 446 CD GLU A 27 6.894 15.698 -2.890 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.133 15.727 -3.055 1.00 0.00 O ATOM 448 OE2 GLU A 27 6.037 15.554 -3.791 1.00 0.00 O ATOM 0 H GLU A 27 6.796 14.615 1.270 1.00 0.00 H new ATOM 0 HA GLU A 27 7.237 17.510 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.113 17.735 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.782 17.199 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.736 14.781 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.283 15.610 -1.480 1.00 0.00 H new ATOM 455 N ARG A 28 5.021 16.030 2.557 1.00 0.00 N ATOM 456 CA ARG A 28 3.705 15.891 3.224 1.00 0.00 C ATOM 457 C ARG A 28 2.491 15.884 2.283 1.00 0.00 C ATOM 458 O ARG A 28 1.350 16.154 2.658 1.00 0.00 O ATOM 459 CB ARG A 28 3.551 16.914 4.348 1.00 0.00 C ATOM 460 CG ARG A 28 3.643 16.218 5.702 1.00 0.00 C ATOM 461 CD ARG A 28 3.083 17.161 6.760 1.00 0.00 C ATOM 462 NE ARG A 28 3.003 16.493 8.068 1.00 0.00 N ATOM 463 CZ ARG A 28 2.637 17.082 9.211 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.319 18.369 9.260 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.607 16.391 10.338 1.00 0.00 N ATOM 0 H ARG A 28 5.739 15.450 2.992 1.00 0.00 H new ATOM 0 HA ARG A 28 3.709 14.890 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.327 17.675 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.593 17.425 4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.081 15.284 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.678 15.963 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.716 18.045 6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.092 17.503 6.461 1.00 0.00 H new ATOM 0 HE ARG A 28 3.246 15.503 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.350 18.935 8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.043 18.793 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.864 15.404 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.327 16.845 11.207 1.00 0.00 H new ATOM 479 N ASN A 29 2.748 15.316 1.110 1.00 0.00 N ATOM 480 CA ASN A 29 1.782 15.298 0.013 1.00 0.00 C ATOM 481 C ASN A 29 1.024 13.975 0.096 1.00 0.00 C ATOM 482 O ASN A 29 1.202 13.042 -0.690 1.00 0.00 O ATOM 483 CB ASN A 29 2.531 15.502 -1.309 1.00 0.00 C ATOM 484 CG ASN A 29 1.602 16.042 -2.395 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.529 16.577 -2.147 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.945 15.810 -3.639 1.00 0.00 N ATOM 0 H ASN A 29 3.631 14.855 0.891 1.00 0.00 H new ATOM 0 HA ASN A 29 1.052 16.105 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.359 16.195 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.963 14.556 -1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.318 16.075 -4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.839 15.364 -3.847 1.00 0.00 H new ATOM 493 N VAL A 30 0.221 13.919 1.151 1.00 0.00 N ATOM 494 CA VAL A 30 -0.655 12.772 1.449 1.00 0.00 C ATOM 495 C VAL A 30 -1.638 12.545 0.281 1.00 0.00 C ATOM 496 O VAL A 30 -1.718 11.444 -0.257 1.00 0.00 O ATOM 497 CB VAL A 30 -1.368 12.998 2.792 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.326 11.853 3.083 1.00 0.00 C ATOM 499 CG2 VAL A 30 -0.384 13.050 3.960 1.00 0.00 C ATOM 0 H VAL A 30 0.152 14.672 1.836 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.063 11.862 1.549 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.893 13.949 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.823 12.028 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.072 11.793 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.770 10.917 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.930 13.211 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.161 12.108 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.320 13.868 3.807 1.00 0.00 H new ATOM 509 N LYS A 31 -2.174 13.649 -0.233 1.00 0.00 N ATOM 510 CA LYS A 31 -2.983 13.667 -1.468 1.00 0.00 C ATOM 511 C LYS A 31 -2.200 13.081 -2.666 1.00 0.00 C ATOM 512 O LYS A 31 -2.762 12.352 -3.483 1.00 0.00 O ATOM 513 CB LYS A 31 -3.427 15.129 -1.654 1.00 0.00 C ATOM 514 CG LYS A 31 -4.072 15.550 -2.982 1.00 0.00 C ATOM 515 CD LYS A 31 -3.012 15.699 -4.077 1.00 0.00 C ATOM 516 CE LYS A 31 -3.359 16.761 -5.111 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.443 16.628 -6.251 1.00 0.00 N ATOM 0 H LYS A 31 -2.063 14.569 0.193 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.862 13.026 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.133 15.362 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.552 15.760 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.812 14.808 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.602 16.494 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.056 15.949 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.882 14.741 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.391 16.644 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.275 17.756 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.670 17.349 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.464 16.759 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.545 15.682 -6.670 1.00 0.00 H new ATOM 531 N GLY A 32 -0.893 13.373 -2.707 1.00 0.00 N ATOM 532 CA GLY A 32 0.025 12.897 -3.759 1.00 0.00 C ATOM 533 C GLY A 32 0.247 11.383 -3.675 1.00 0.00 C ATOM 534 O GLY A 32 -0.057 10.647 -4.611 1.00 0.00 O ATOM 0 H GLY A 32 -0.435 13.953 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.380 13.152 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.982 13.411 -3.667 1.00 0.00 H new ATOM 538 N MET A 33 0.673 10.927 -2.498 1.00 0.00 N ATOM 539 CA MET A 33 0.908 9.495 -2.230 1.00 0.00 C ATOM 540 C MET A 33 -0.323 8.613 -2.487 1.00 0.00 C ATOM 541 O MET A 33 -0.224 7.511 -3.020 1.00 0.00 O ATOM 542 CB MET A 33 1.412 9.296 -0.803 1.00 0.00 C ATOM 543 CG MET A 33 0.419 9.339 0.348 1.00 0.00 C ATOM 544 SD MET A 33 1.019 8.291 1.714 1.00 0.00 S ATOM 545 CE MET A 33 0.080 9.062 3.002 1.00 0.00 C ATOM 0 H MET A 33 0.867 11.532 -1.700 1.00 0.00 H new ATOM 0 HA MET A 33 1.671 9.173 -2.939 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.916 8.330 -0.765 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.168 10.058 -0.613 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.291 10.365 0.693 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.558 8.991 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.397 8.669 3.968 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.244 10.139 2.977 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.980 8.852 2.855 1.00 0.00 H new ATOM 555 N PHE A 34 -1.474 9.225 -2.236 1.00 0.00 N ATOM 556 CA PHE A 34 -2.809 8.673 -2.490 1.00 0.00 C ATOM 557 C PHE A 34 -3.082 8.361 -3.968 1.00 0.00 C ATOM 558 O PHE A 34 -3.896 7.490 -4.274 1.00 0.00 O ATOM 559 CB PHE A 34 -3.804 9.695 -1.949 1.00 0.00 C ATOM 560 CG PHE A 34 -4.686 9.074 -0.880 1.00 0.00 C ATOM 561 CD1 PHE A 34 -4.160 8.604 0.326 1.00 0.00 C ATOM 562 CD2 PHE A 34 -6.038 8.911 -1.159 1.00 0.00 C ATOM 563 CE1 PHE A 34 -4.983 7.975 1.235 1.00 0.00 C ATOM 564 CE2 PHE A 34 -6.859 8.282 -0.250 1.00 0.00 C ATOM 565 CZ PHE A 34 -6.343 7.809 0.953 1.00 0.00 C ATOM 0 H PHE A 34 -1.509 10.161 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.901 7.708 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.267 10.548 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.423 10.073 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.110 8.733 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.445 9.278 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.577 7.610 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.908 8.155 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.989 7.317 1.665 1.00 0.00 H new ATOM 575 N GLU A 35 -2.330 8.997 -4.862 1.00 0.00 N ATOM 576 CA GLU A 35 -2.418 8.773 -6.315 1.00 0.00 C ATOM 577 C GLU A 35 -1.612 7.542 -6.771 1.00 0.00 C ATOM 578 O GLU A 35 -2.111 6.752 -7.563 1.00 0.00 O ATOM 579 CB GLU A 35 -1.957 10.030 -7.052 1.00 0.00 C ATOM 580 CG GLU A 35 -2.398 10.009 -8.519 1.00 0.00 C ATOM 581 CD GLU A 35 -1.996 11.299 -9.232 1.00 0.00 C ATOM 582 OE1 GLU A 35 -2.578 12.348 -8.882 1.00 0.00 O ATOM 583 OE2 GLU A 35 -1.132 11.200 -10.129 1.00 0.00 O ATOM 0 H GLU A 35 -1.631 9.693 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.460 8.566 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.365 10.913 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.871 10.108 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.948 9.155 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.479 9.880 -8.575 1.00 0.00 H new ATOM 590 N VAL A 36 -0.430 7.345 -6.189 1.00 0.00 N ATOM 591 CA VAL A 36 0.407 6.156 -6.475 1.00 0.00 C ATOM 592 C VAL A 36 -0.017 4.930 -5.635 1.00 0.00 C ATOM 593 O VAL A 36 0.182 3.791 -6.042 1.00 0.00 O ATOM 594 CB VAL A 36 1.905 6.526 -6.412 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.337 7.003 -5.031 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.821 5.406 -6.917 1.00 0.00 C ATOM 0 H VAL A 36 -0.020 7.989 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 36 0.234 5.828 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 36 2.018 7.366 -7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.399 7.249 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.764 7.888 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.158 6.214 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.860 5.727 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.675 4.514 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.580 5.179 -7.956 1.00 0.00 H new ATOM 606 N LEU A 37 -0.727 5.199 -4.540 1.00 0.00 N ATOM 607 CA LEU A 37 -1.351 4.193 -3.658 1.00 0.00 C ATOM 608 C LEU A 37 -2.773 3.797 -4.065 1.00 0.00 C ATOM 609 O LEU A 37 -3.197 2.670 -3.826 1.00 0.00 O ATOM 610 CB LEU A 37 -1.306 4.686 -2.206 1.00 0.00 C ATOM 611 CG LEU A 37 -0.247 4.036 -1.294 1.00 0.00 C ATOM 612 CD1 LEU A 37 -0.844 2.815 -0.612 1.00 0.00 C ATOM 613 CD2 LEU A 37 1.000 3.540 -2.018 1.00 0.00 C ATOM 0 H LEU A 37 -0.894 6.155 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.766 3.279 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.134 5.762 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.287 4.524 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 37 0.046 4.826 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.095 2.356 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.703 3.117 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.163 2.096 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.688 3.099 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.718 2.790 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.487 4.377 -2.519 1.00 0.00 H new ATOM 625 N GLU A 38 -3.418 4.662 -4.847 1.00 0.00 N ATOM 626 CA GLU A 38 -4.701 4.363 -5.508 1.00 0.00 C ATOM 627 C GLU A 38 -4.648 3.032 -6.292 1.00 0.00 C ATOM 628 O GLU A 38 -5.391 2.122 -5.905 1.00 0.00 O ATOM 629 CB GLU A 38 -5.093 5.548 -6.398 1.00 0.00 C ATOM 630 CG GLU A 38 -6.483 6.069 -6.052 1.00 0.00 C ATOM 631 CD GLU A 38 -7.380 5.998 -7.287 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.878 4.881 -7.545 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.556 7.055 -7.928 1.00 0.00 O ATOM 0 H GLU A 38 -3.067 5.599 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.471 4.227 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.363 6.349 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.067 5.243 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.913 5.478 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.419 7.097 -5.696 1.00 0.00 H new ATOM 640 N PRO A 39 -3.661 2.796 -7.184 1.00 0.00 N ATOM 641 CA PRO A 39 -3.500 1.483 -7.821 1.00 0.00 C ATOM 642 C PRO A 39 -2.988 0.420 -6.841 1.00 0.00 C ATOM 643 O PRO A 39 -3.438 -0.708 -6.930 1.00 0.00 O ATOM 644 CB PRO A 39 -2.574 1.713 -9.015 1.00 0.00 C ATOM 645 CG PRO A 39 -1.678 2.853 -8.547 1.00 0.00 C ATOM 646 CD PRO A 39 -2.625 3.711 -7.709 1.00 0.00 C ATOM 0 HA PRO A 39 -4.455 1.078 -8.156 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.997 0.820 -9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.132 1.982 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.836 2.489 -7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.263 3.411 -9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.089 4.199 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.073 4.499 -8.314 1.00 0.00 H new ATOM 654 N LEU A 40 -2.338 0.820 -5.753 1.00 0.00 N ATOM 655 CA LEU A 40 -1.835 -0.107 -4.720 1.00 0.00 C ATOM 656 C LEU A 40 -2.943 -0.700 -3.821 1.00 0.00 C ATOM 657 O LEU A 40 -2.748 -1.636 -3.053 1.00 0.00 O ATOM 658 CB LEU A 40 -0.774 0.623 -3.896 1.00 0.00 C ATOM 659 CG LEU A 40 0.571 0.989 -4.550 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.632 0.237 -3.761 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.750 0.736 -6.056 1.00 0.00 C ATOM 0 H LEU A 40 -2.139 1.800 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.400 -0.970 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.222 1.547 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.557 0.007 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 40 0.643 2.076 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.616 0.454 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.601 0.551 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.440 -0.834 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.749 1.046 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.621 -0.326 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.007 1.308 -6.612 1.00 0.00 H new ATOM 673 N HIS A 41 -4.133 -0.131 -3.937 1.00 0.00 N ATOM 674 CA HIS A 41 -5.353 -0.688 -3.329 1.00 0.00 C ATOM 675 C HIS A 41 -6.164 -1.537 -4.324 1.00 0.00 C ATOM 676 O HIS A 41 -6.652 -2.607 -3.972 1.00 0.00 O ATOM 677 CB HIS A 41 -6.119 0.507 -2.771 1.00 0.00 C ATOM 678 CG HIS A 41 -7.629 0.313 -2.582 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.535 0.979 -3.282 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.246 -0.561 -1.799 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.736 0.505 -2.942 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.551 -0.439 -2.029 1.00 0.00 N ATOM 0 H HIS A 41 -4.291 0.733 -4.455 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.122 -1.392 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.684 0.774 -1.808 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.963 1.356 -3.437 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.778 -1.243 -1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.686 0.831 -3.339 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.287 -0.982 -1.578 1.00 0.00 H new ATOM 690 N ALA A 42 -6.138 -1.132 -5.591 1.00 0.00 N ATOM 691 CA ALA A 42 -6.865 -1.820 -6.679 1.00 0.00 C ATOM 692 C ALA A 42 -6.106 -3.048 -7.203 1.00 0.00 C ATOM 693 O ALA A 42 -6.677 -4.132 -7.276 1.00 0.00 O ATOM 694 CB ALA A 42 -7.163 -0.834 -7.811 1.00 0.00 C ATOM 0 H ALA A 42 -5.613 -0.315 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.805 -2.188 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.699 -1.348 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.776 -0.017 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.227 -0.434 -8.201 1.00 0.00 H new ATOM 700 N MET A 43 -4.783 -2.923 -7.287 1.00 0.00 N ATOM 701 CA MET A 43 -3.829 -4.012 -7.572 1.00 0.00 C ATOM 702 C MET A 43 -3.834 -5.092 -6.482 1.00 0.00 C ATOM 703 O MET A 43 -3.132 -6.074 -6.598 1.00 0.00 O ATOM 704 CB MET A 43 -2.402 -3.466 -7.698 1.00 0.00 C ATOM 705 CG MET A 43 -2.176 -2.716 -9.010 1.00 0.00 C ATOM 706 SD MET A 43 -0.895 -1.423 -8.832 1.00 0.00 S ATOM 707 CE MET A 43 -0.461 -1.159 -10.538 1.00 0.00 C ATOM 0 H MET A 43 -4.319 -2.025 -7.154 1.00 0.00 H new ATOM 0 HA MET A 43 -4.151 -4.459 -8.513 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.197 -2.798 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.693 -4.291 -7.628 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.878 -3.421 -9.786 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.111 -2.261 -9.336 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.313 -0.394 -10.602 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.089 -2.089 -10.967 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.341 -0.831 -11.091 1.00 0.00 H new ATOM 717 N MET A 44 -4.496 -4.848 -5.355 1.00 0.00 N ATOM 718 CA MET A 44 -4.626 -5.882 -4.316 1.00 0.00 C ATOM 719 C MET A 44 -6.095 -6.268 -4.045 1.00 0.00 C ATOM 720 O MET A 44 -6.374 -7.210 -3.304 1.00 0.00 O ATOM 721 CB MET A 44 -3.890 -5.354 -3.087 1.00 0.00 C ATOM 722 CG MET A 44 -3.636 -6.451 -2.061 1.00 0.00 C ATOM 723 SD MET A 44 -4.521 -6.083 -0.510 1.00 0.00 S ATOM 724 CE MET A 44 -3.125 -5.750 0.540 1.00 0.00 C ATOM 0 H MET A 44 -4.947 -3.960 -5.133 1.00 0.00 H new ATOM 0 HA MET A 44 -4.177 -6.821 -4.639 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.940 -4.917 -3.393 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.475 -4.557 -2.628 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.965 -7.412 -2.457 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.567 -6.536 -1.866 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.460 -5.660 1.573 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.407 -6.566 0.461 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.651 -4.819 0.230 1.00 0.00 H new ATOM 734 N GLU A 45 -6.997 -5.646 -4.797 1.00 0.00 N ATOM 735 CA GLU A 45 -8.446 -5.881 -4.687 1.00 0.00 C ATOM 736 C GLU A 45 -9.052 -6.515 -5.949 1.00 0.00 C ATOM 737 O GLU A 45 -9.936 -7.358 -5.822 1.00 0.00 O ATOM 738 CB GLU A 45 -9.136 -4.563 -4.334 1.00 0.00 C ATOM 739 CG GLU A 45 -10.582 -4.800 -3.896 1.00 0.00 C ATOM 740 CD GLU A 45 -11.175 -3.542 -3.268 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.489 -2.616 -4.049 1.00 0.00 O ATOM 742 OE2 GLU A 45 -11.307 -3.552 -2.026 1.00 0.00 O ATOM 0 H GLU A 45 -6.749 -4.958 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.612 -6.609 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.588 -4.064 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.118 -3.897 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.182 -5.099 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.619 -5.621 -3.180 1.00 0.00 H new ATOM 749 N ARG A 46 -8.511 -6.177 -7.123 1.00 0.00 N ATOM 750 CA ARG A 46 -8.905 -6.755 -8.427 1.00 0.00 C ATOM 751 C ARG A 46 -8.993 -8.293 -8.411 1.00 0.00 C ATOM 752 O ARG A 46 -9.864 -8.870 -9.054 1.00 0.00 O ATOM 753 CB ARG A 46 -7.889 -6.305 -9.475 1.00 0.00 C ATOM 754 CG ARG A 46 -8.600 -5.962 -10.782 1.00 0.00 C ATOM 755 CD ARG A 46 -8.067 -4.630 -11.304 1.00 0.00 C ATOM 756 NE ARG A 46 -9.193 -3.712 -11.549 1.00 0.00 N ATOM 757 CZ ARG A 46 -9.094 -2.444 -11.957 1.00 0.00 C ATOM 758 NH1 ARG A 46 -7.916 -1.872 -12.170 1.00 0.00 N ATOM 759 NH2 ARG A 46 -10.183 -1.720 -12.157 1.00 0.00 N ATOM 0 H ARG A 46 -7.771 -5.480 -7.203 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.907 -6.396 -8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.341 -5.436 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.158 -7.095 -9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.434 -6.748 -11.518 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.676 -5.899 -10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.379 -4.193 -10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.505 -4.787 -12.225 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.132 -4.078 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.057 -2.402 -12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.869 -0.902 -12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.104 -2.130 -12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.102 -0.752 -12.469 1.00 0.00 H new ATOM 773 N GLY A 47 -8.148 -8.892 -7.562 1.00 0.00 N ATOM 774 CA GLY A 47 -8.139 -10.345 -7.340 1.00 0.00 C ATOM 775 C GLY A 47 -6.768 -10.962 -7.648 1.00 0.00 C ATOM 776 O GLY A 47 -6.076 -10.485 -8.552 1.00 0.00 O ATOM 0 H GLY A 47 -7.454 -8.386 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.408 -10.556 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.897 -10.813 -7.968 1.00 0.00 H new ATOM 780 N PRO A 48 -6.336 -11.956 -6.859 1.00 0.00 N ATOM 781 CA PRO A 48 -5.070 -12.660 -7.122 1.00 0.00 C ATOM 782 C PRO A 48 -5.184 -13.520 -8.385 1.00 0.00 C ATOM 783 O PRO A 48 -6.253 -14.031 -8.707 1.00 0.00 O ATOM 784 CB PRO A 48 -4.819 -13.494 -5.870 1.00 0.00 C ATOM 785 CG PRO A 48 -6.212 -13.752 -5.293 1.00 0.00 C ATOM 786 CD PRO A 48 -6.997 -12.488 -5.648 1.00 0.00 C ATOM 0 HA PRO A 48 -4.239 -11.980 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.310 -14.428 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.188 -12.961 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.667 -14.641 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.175 -13.910 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.046 -12.715 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.970 -11.764 -4.833 1.00 0.00 H new ATOM 794 N GLN A 49 -4.092 -13.537 -9.140 1.00 0.00 N ATOM 795 CA GLN A 49 -4.008 -14.354 -10.365 1.00 0.00 C ATOM 796 C GLN A 49 -3.532 -15.784 -10.052 1.00 0.00 C ATOM 797 O GLN A 49 -4.342 -16.644 -9.733 1.00 0.00 O ATOM 798 CB GLN A 49 -3.189 -13.629 -11.447 1.00 0.00 C ATOM 799 CG GLN A 49 -3.044 -14.511 -12.694 1.00 0.00 C ATOM 800 CD GLN A 49 -3.137 -13.730 -13.993 1.00 0.00 C ATOM 801 OE1 GLN A 49 -4.209 -13.344 -14.439 1.00 0.00 O ATOM 802 NE2 GLN A 49 -2.017 -13.505 -14.638 1.00 0.00 N ATOM 0 H GLN A 49 -3.250 -12.999 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.006 -14.476 -10.786 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.677 -12.691 -11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.203 -13.376 -11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.085 -15.028 -12.656 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.820 -15.277 -12.682 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.132 -13.833 -14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.032 -13.002 -15.525 1.00 0.00 H new ATOM 811 N THR A 50 -2.214 -15.975 -10.123 1.00 0.00 N ATOM 812 CA THR A 50 -1.522 -17.259 -9.899 1.00 0.00 C ATOM 813 C THR A 50 -1.767 -17.748 -8.461 1.00 0.00 C ATOM 814 O THR A 50 -2.829 -18.282 -8.153 1.00 0.00 O ATOM 815 CB THR A 50 -0.030 -17.189 -10.340 1.00 0.00 C ATOM 816 OG1 THR A 50 0.717 -18.276 -9.786 1.00 0.00 O ATOM 817 CG2 THR A 50 0.687 -15.862 -10.042 1.00 0.00 C ATOM 0 H THR A 50 -1.570 -15.216 -10.346 1.00 0.00 H new ATOM 0 HA THR A 50 -1.947 -18.029 -10.543 1.00 0.00 H new ATOM 0 HB THR A 50 -0.068 -17.262 -11.427 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.651 -18.213 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.719 -15.920 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.176 -15.049 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.675 -15.675 -8.968 1.00 0.00 H new ATOM 825 N LEU A 51 -0.825 -17.401 -7.589 1.00 0.00 N ATOM 826 CA LEU A 51 -0.782 -17.727 -6.148 1.00 0.00 C ATOM 827 C LEU A 51 0.578 -17.342 -5.536 1.00 0.00 C ATOM 828 O LEU A 51 1.163 -18.040 -4.711 1.00 0.00 O ATOM 829 CB LEU A 51 -1.060 -19.222 -5.929 1.00 0.00 C ATOM 830 CG LEU A 51 -2.300 -19.403 -5.054 1.00 0.00 C ATOM 831 CD1 LEU A 51 -2.937 -20.762 -5.340 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.918 -19.304 -3.574 1.00 0.00 C ATOM 0 H LEU A 51 -0.016 -16.850 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.557 -17.148 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.207 -19.717 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.199 -19.694 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.018 -18.616 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.821 -20.888 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.225 -20.815 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.221 -21.553 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.808 -19.434 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.193 -20.081 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.480 -18.326 -3.376 1.00 0.00 H new ATOM 844 N LYS A 52 1.094 -16.213 -6.013 1.00 0.00 N ATOM 845 CA LYS A 52 2.426 -15.721 -5.605 1.00 0.00 C ATOM 846 C LYS A 52 2.347 -14.306 -5.010 1.00 0.00 C ATOM 847 O LYS A 52 2.711 -14.074 -3.860 1.00 0.00 O ATOM 848 CB LYS A 52 3.412 -15.819 -6.781 1.00 0.00 C ATOM 849 CG LYS A 52 3.567 -17.259 -7.286 1.00 0.00 C ATOM 850 CD LYS A 52 4.900 -17.554 -7.977 1.00 0.00 C ATOM 851 CE LYS A 52 4.969 -17.131 -9.446 1.00 0.00 C ATOM 852 NZ LYS A 52 5.639 -18.200 -10.201 1.00 0.00 N ATOM 0 H LYS A 52 0.616 -15.613 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 52 2.806 -16.360 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.066 -15.184 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.385 -15.438 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.452 -17.940 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.757 -17.475 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.696 -17.049 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.098 -18.624 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.967 -16.958 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.517 -16.194 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.697 -17.933 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.598 -18.342 -9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.097 -19.083 -10.109 1.00 0.00 H new ATOM 866 N GLU A 53 1.645 -13.428 -5.727 1.00 0.00 N ATOM 867 CA GLU A 53 1.366 -12.044 -5.292 1.00 0.00 C ATOM 868 C GLU A 53 0.149 -11.967 -4.343 1.00 0.00 C ATOM 869 O GLU A 53 -0.796 -11.207 -4.553 1.00 0.00 O ATOM 870 CB GLU A 53 1.231 -11.154 -6.540 1.00 0.00 C ATOM 871 CG GLU A 53 0.005 -11.483 -7.403 1.00 0.00 C ATOM 872 CD GLU A 53 0.211 -11.201 -8.889 1.00 0.00 C ATOM 873 OE1 GLU A 53 0.568 -10.053 -9.228 1.00 0.00 O ATOM 874 OE2 GLU A 53 0.102 -12.210 -9.621 1.00 0.00 O ATOM 0 H GLU A 53 1.246 -13.653 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 53 2.198 -11.670 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.175 -10.111 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.130 -11.257 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.249 -12.535 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.846 -10.903 -7.046 1.00 0.00 H new ATOM 881 N THR A 54 0.274 -12.651 -3.206 1.00 0.00 N ATOM 882 CA THR A 54 -0.798 -12.791 -2.187 1.00 0.00 C ATOM 883 C THR A 54 -0.214 -13.194 -0.811 1.00 0.00 C ATOM 884 O THR A 54 -0.835 -13.840 0.026 1.00 0.00 O ATOM 885 CB THR A 54 -1.914 -13.721 -2.734 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.509 -13.061 -3.853 1.00 0.00 O ATOM 887 CG2 THR A 54 -3.065 -14.108 -1.799 1.00 0.00 C ATOM 0 H THR A 54 1.134 -13.137 -2.951 1.00 0.00 H new ATOM 0 HA THR A 54 -1.275 -11.829 -1.999 1.00 0.00 H new ATOM 0 HB THR A 54 -1.395 -14.657 -2.942 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.134 -12.160 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.760 -14.759 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.667 -14.632 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.587 -13.208 -1.473 1.00 0.00 H new ATOM 895 N SER A 55 0.938 -12.605 -0.493 1.00 0.00 N ATOM 896 CA SER A 55 1.608 -12.816 0.814 1.00 0.00 C ATOM 897 C SER A 55 1.591 -11.561 1.703 1.00 0.00 C ATOM 898 O SER A 55 2.153 -11.507 2.794 1.00 0.00 O ATOM 899 CB SER A 55 3.050 -13.283 0.589 1.00 0.00 C ATOM 900 OG SER A 55 3.772 -12.332 -0.204 1.00 0.00 O ATOM 0 H SER A 55 1.438 -11.973 -1.118 1.00 0.00 H new ATOM 0 HA SER A 55 1.045 -13.585 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.548 -13.417 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.050 -14.253 0.092 1.00 0.00 H new ATOM 0 HG SER A 55 4.691 -12.646 -0.336 1.00 0.00 H new ATOM 906 N PHE A 56 0.732 -10.641 1.280 1.00 0.00 N ATOM 907 CA PHE A 56 0.545 -9.298 1.847 1.00 0.00 C ATOM 908 C PHE A 56 -0.923 -9.001 2.137 1.00 0.00 C ATOM 909 O PHE A 56 -1.248 -8.662 3.256 1.00 0.00 O ATOM 910 CB PHE A 56 1.160 -8.215 0.948 1.00 0.00 C ATOM 911 CG PHE A 56 0.881 -8.428 -0.529 1.00 0.00 C ATOM 912 CD1 PHE A 56 1.606 -9.409 -1.207 1.00 0.00 C ATOM 913 CD2 PHE A 56 -0.109 -7.706 -1.187 1.00 0.00 C ATOM 914 CE1 PHE A 56 1.350 -9.663 -2.526 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.360 -7.957 -2.521 1.00 0.00 C ATOM 916 CZ PHE A 56 0.365 -8.928 -3.193 1.00 0.00 C ATOM 0 H PHE A 56 0.111 -10.815 0.490 1.00 0.00 H new ATOM 0 HA PHE A 56 1.075 -9.281 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.772 -7.241 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.238 -8.190 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.371 -9.969 -0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.677 -6.955 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.905 -10.427 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.122 -7.396 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.168 -9.118 -4.238 1.00 0.00 H new ATOM 926 N ASN A 57 -1.827 -9.342 1.223 1.00 0.00 N ATOM 927 CA ASN A 57 -3.268 -9.260 1.540 1.00 0.00 C ATOM 928 C ASN A 57 -3.729 -10.339 2.541 1.00 0.00 C ATOM 929 O ASN A 57 -4.821 -10.242 3.094 1.00 0.00 O ATOM 930 CB ASN A 57 -4.103 -9.313 0.259 1.00 0.00 C ATOM 931 CG ASN A 57 -4.069 -10.684 -0.396 1.00 0.00 C ATOM 932 OD1 ASN A 57 -3.099 -11.061 -1.042 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.007 -11.495 0.033 1.00 0.00 N ATOM 0 H ASN A 57 -1.608 -9.669 0.282 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.427 -8.299 2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.135 -9.049 0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.732 -8.567 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.949 -12.493 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.794 -11.127 0.567 1.00 0.00 H new ATOM 940 N GLN A 58 -2.995 -11.453 2.549 1.00 0.00 N ATOM 941 CA GLN A 58 -3.254 -12.598 3.439 1.00 0.00 C ATOM 942 C GLN A 58 -2.768 -12.445 4.887 1.00 0.00 C ATOM 943 O GLN A 58 -3.386 -12.948 5.820 1.00 0.00 O ATOM 944 CB GLN A 58 -2.705 -13.888 2.819 1.00 0.00 C ATOM 945 CG GLN A 58 -3.823 -14.673 2.121 1.00 0.00 C ATOM 946 CD GLN A 58 -4.930 -15.149 3.075 1.00 0.00 C ATOM 947 OE1 GLN A 58 -4.951 -14.932 4.278 1.00 0.00 O ATOM 948 NE2 GLN A 58 -5.911 -15.837 2.547 1.00 0.00 N ATOM 0 H GLN A 58 -2.194 -11.592 1.933 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.340 -12.643 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.920 -13.647 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.250 -14.505 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.267 -14.046 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.389 -15.539 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.916 -16.031 1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.670 -16.179 3.137 1.00 0.00 H new ATOM 957 N ALA A 59 -1.706 -11.662 5.050 1.00 0.00 N ATOM 958 CA ALA A 59 -1.085 -11.418 6.367 1.00 0.00 C ATOM 959 C ALA A 59 -1.179 -9.936 6.768 1.00 0.00 C ATOM 960 O ALA A 59 -1.930 -9.562 7.670 1.00 0.00 O ATOM 961 CB ALA A 59 0.372 -11.900 6.335 1.00 0.00 C ATOM 0 H ALA A 59 -1.245 -11.175 4.281 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.629 -11.981 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.835 -11.722 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.398 -12.966 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.919 -11.354 5.566 1.00 0.00 H new ATOM 967 N TYR A 60 -0.663 -9.096 5.885 1.00 0.00 N ATOM 968 CA TYR A 60 -0.652 -7.623 5.986 1.00 0.00 C ATOM 969 C TYR A 60 -1.975 -7.035 5.425 1.00 0.00 C ATOM 970 O TYR A 60 -2.030 -6.017 4.736 1.00 0.00 O ATOM 971 CB TYR A 60 0.575 -7.149 5.194 1.00 0.00 C ATOM 972 CG TYR A 60 1.866 -7.943 5.409 1.00 0.00 C ATOM 973 CD1 TYR A 60 2.264 -8.414 6.658 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.656 -8.227 4.305 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.423 -9.158 6.782 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.820 -8.955 4.417 1.00 0.00 C ATOM 977 CZ TYR A 60 4.203 -9.438 5.664 1.00 0.00 C ATOM 978 OH TYR A 60 5.352 -10.141 5.772 1.00 0.00 O ATOM 0 H TYR A 60 -0.215 -9.428 5.031 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.586 -7.284 7.020 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.329 -7.176 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.767 -6.107 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.666 -8.198 7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.351 -7.868 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.725 -9.524 7.752 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.429 -9.149 3.546 1.00 0.00 H new ATOM 0 HH TYR A 60 5.760 -10.239 4.886 1.00 0.00 H new ATOM 988 N GLY A 61 -3.072 -7.726 5.764 1.00 0.00 N ATOM 989 CA GLY A 61 -4.450 -7.331 5.397 1.00 0.00 C ATOM 990 C GLY A 61 -4.900 -6.059 6.134 1.00 0.00 C ATOM 991 O GLY A 61 -5.772 -5.333 5.666 1.00 0.00 O ATOM 0 H GLY A 61 -3.033 -8.588 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.505 -7.165 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.135 -8.146 5.630 1.00 0.00 H new ATOM 995 N ARG A 62 -4.256 -5.820 7.276 1.00 0.00 N ATOM 996 CA ARG A 62 -4.471 -4.651 8.154 1.00 0.00 C ATOM 997 C ARG A 62 -3.975 -3.319 7.577 1.00 0.00 C ATOM 998 O ARG A 62 -4.532 -2.267 7.875 1.00 0.00 O ATOM 999 CB ARG A 62 -3.836 -4.924 9.519 1.00 0.00 C ATOM 1000 CG ARG A 62 -4.747 -5.832 10.346 1.00 0.00 C ATOM 1001 CD ARG A 62 -3.944 -6.643 11.370 1.00 0.00 C ATOM 1002 NE ARG A 62 -4.239 -6.260 12.763 1.00 0.00 N ATOM 1003 CZ ARG A 62 -3.859 -5.147 13.403 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -3.161 -4.194 12.804 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -4.185 -4.973 14.674 1.00 0.00 N ATOM 0 H ARG A 62 -3.542 -6.454 7.636 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.550 -4.527 8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.861 -5.394 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.669 -3.985 10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.494 -5.229 10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.286 -6.510 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.160 -7.703 11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.879 -6.508 11.179 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.798 -6.921 13.303 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.896 -4.295 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.888 -3.359 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.725 -5.686 15.164 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.896 -4.126 15.163 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.980 -3.393 6.691 1.00 0.00 N ATOM 1020 CA ASP A 63 -2.467 -2.194 5.997 1.00 0.00 C ATOM 1021 C ASP A 63 -3.066 -2.168 4.579 1.00 0.00 C ATOM 1022 O ASP A 63 -4.024 -2.896 4.351 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.931 -2.218 6.010 1.00 0.00 C ATOM 1024 CG ASP A 63 -0.295 -3.086 4.931 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -0.196 -4.294 5.171 1.00 0.00 O ATOM 1026 OD2 ASP A 63 0.031 -2.510 3.877 1.00 0.00 O ATOM 0 H ASP A 63 -2.511 -4.261 6.433 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.766 -1.274 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.565 -1.197 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.596 -2.571 6.985 1.00 0.00 H new ATOM 1031 N LEU A 64 -2.513 -1.356 3.670 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.871 -1.260 2.234 1.00 0.00 C ATOM 1033 C LEU A 64 -4.358 -1.438 1.908 1.00 0.00 C ATOM 1034 O LEU A 64 -5.096 -0.474 2.053 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.963 -2.156 1.388 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.760 -1.358 0.898 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.481 -2.241 0.896 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -1.016 -0.867 -0.522 1.00 0.00 C ATOM 0 H LEU A 64 -1.764 -0.711 3.921 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.687 -0.221 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.629 -3.010 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.518 -2.553 0.538 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.605 -0.508 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.337 -1.665 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.675 -2.599 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.321 -3.092 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.155 -0.297 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.175 -1.722 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.901 -0.231 -0.533 1.00 0.00 H new ATOM 1050 N MET A 65 -4.794 -2.692 1.774 1.00 0.00 N ATOM 1051 CA MET A 65 -6.216 -3.078 1.663 1.00 0.00 C ATOM 1052 C MET A 65 -7.092 -2.333 2.691 1.00 0.00 C ATOM 1053 O MET A 65 -7.923 -1.521 2.297 1.00 0.00 O ATOM 1054 CB MET A 65 -6.334 -4.576 1.939 1.00 0.00 C ATOM 1055 CG MET A 65 -7.529 -5.158 1.190 1.00 0.00 C ATOM 1056 SD MET A 65 -8.503 -6.309 2.219 1.00 0.00 S ATOM 1057 CE MET A 65 -9.845 -5.215 2.628 1.00 0.00 C ATOM 0 H MET A 65 -4.160 -3.490 1.738 1.00 0.00 H new ATOM 0 HA MET A 65 -6.561 -2.821 0.661 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.420 -5.083 1.630 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.448 -4.748 3.009 1.00 0.00 H new ATOM 0 HG2 MET A 65 -8.172 -4.346 0.850 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.177 -5.680 0.300 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.560 -5.738 3.263 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.457 -4.346 3.159 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.341 -4.890 1.713 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.700 -2.409 3.963 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.333 -1.669 5.071 1.00 0.00 C ATOM 1069 C GLU A 66 -6.794 -0.246 5.271 1.00 0.00 C ATOM 1070 O GLU A 66 -7.592 0.656 5.500 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.249 -2.462 6.373 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.241 -3.629 6.410 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.650 -3.224 6.852 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -10.173 -2.210 6.336 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.160 -3.927 7.751 1.00 0.00 O ATOM 0 H GLU A 66 -5.921 -2.995 4.264 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.377 -1.552 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.236 -2.845 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.443 -1.796 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.296 -4.079 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.863 -4.395 7.088 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.529 -0.003 4.933 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.951 1.357 5.046 1.00 0.00 C ATOM 1084 C ALA A 67 -5.520 2.360 4.016 1.00 0.00 C ATOM 1085 O ALA A 67 -5.353 3.568 4.158 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.424 1.325 5.009 1.00 0.00 C ATOM 0 H ALA A 67 -4.884 -0.711 4.582 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.259 1.727 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.037 2.340 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.052 0.724 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.092 0.888 4.067 1.00 0.00 H new ATOM 1092 N GLN A 68 -6.201 1.815 3.010 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.953 2.563 1.990 1.00 0.00 C ATOM 1094 C GLN A 68 -8.477 2.355 2.081 1.00 0.00 C ATOM 1095 O GLN A 68 -9.213 3.291 1.774 1.00 0.00 O ATOM 1096 CB GLN A 68 -6.432 2.212 0.593 1.00 0.00 C ATOM 1097 CG GLN A 68 -7.241 2.963 -0.470 1.00 0.00 C ATOM 1098 CD GLN A 68 -6.445 3.646 -1.572 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -5.223 3.702 -1.619 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -7.180 4.141 -2.537 1.00 0.00 N ATOM 0 H GLN A 68 -6.250 0.805 2.873 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.786 3.622 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.377 2.475 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.507 1.137 0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.931 2.259 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.846 3.718 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.197 4.086 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.735 4.581 -3.343 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.933 1.160 2.476 1.00 0.00 N ATOM 1110 CA GLU A 69 -10.372 0.833 2.643 1.00 0.00 C ATOM 1111 C GLU A 69 -11.147 1.948 3.363 1.00 0.00 C ATOM 1112 O GLU A 69 -12.310 2.209 3.052 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.527 -0.479 3.424 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.985 -0.877 3.689 1.00 0.00 C ATOM 1115 CD GLU A 69 -12.422 -2.180 3.018 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -12.077 -2.385 1.832 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -13.106 -2.950 3.722 1.00 0.00 O ATOM 0 H GLU A 69 -8.315 0.379 2.693 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.793 0.728 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.037 -1.280 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.007 -0.386 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.132 -0.971 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.635 -0.072 3.347 1.00 0.00 H new ATOM 1124 N TRP A 70 -10.441 2.623 4.269 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.887 3.856 4.939 1.00 0.00 C ATOM 1126 C TRP A 70 -10.953 5.033 3.942 1.00 0.00 C ATOM 1127 O TRP A 70 -10.591 6.159 4.258 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.914 4.155 6.090 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.674 2.978 7.049 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -8.469 2.538 7.407 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.609 2.114 7.589 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -8.602 1.442 8.149 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.881 1.138 8.284 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -11.993 2.084 7.613 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -10.552 0.150 8.985 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -12.662 1.076 8.289 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -11.937 0.105 8.983 1.00 0.00 C ATOM 0 H TRP A 70 -9.514 2.322 4.570 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.893 3.721 5.335 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.957 4.464 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.298 5.000 6.662 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.530 2.999 7.137 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.830 0.913 8.555 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.555 2.851 7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.992 -0.590 9.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.741 1.042 8.279 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.454 -0.679 9.517 1.00 0.00 H new ATOM 1148 N CYS A 71 -11.601 4.795 2.804 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.817 5.773 1.723 1.00 0.00 C ATOM 1150 C CYS A 71 -13.078 6.598 2.001 1.00 0.00 C ATOM 1151 O CYS A 71 -12.966 7.794 2.208 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.904 5.077 0.358 1.00 0.00 C ATOM 1153 SG CYS A 71 -13.246 3.838 0.223 1.00 0.00 S ATOM 0 H CYS A 71 -12.008 3.883 2.595 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.962 6.448 1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.046 5.834 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.952 4.587 0.152 1.00 0.00 H new ATOM 0 HG CYS A 71 -13.182 3.018 1.230 1.00 0.00 H new ATOM 1159 N ARG A 72 -14.165 5.910 2.354 1.00 0.00 N ATOM 1160 CA ARG A 72 -15.414 6.541 2.838 1.00 0.00 C ATOM 1161 C ARG A 72 -15.213 7.418 4.086 1.00 0.00 C ATOM 1162 O ARG A 72 -15.941 8.381 4.310 1.00 0.00 O ATOM 1163 CB ARG A 72 -16.430 5.438 3.132 1.00 0.00 C ATOM 1164 CG ARG A 72 -17.555 5.387 2.097 1.00 0.00 C ATOM 1165 CD ARG A 72 -18.677 6.376 2.426 1.00 0.00 C ATOM 1166 NE ARG A 72 -19.949 5.860 1.880 1.00 0.00 N ATOM 1167 CZ ARG A 72 -20.662 4.829 2.355 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -20.317 4.181 3.461 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -21.763 4.442 1.735 1.00 0.00 N ATOM 0 H ARG A 72 -14.213 4.892 2.315 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.772 7.210 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.919 4.475 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.858 5.597 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.151 5.611 1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.962 4.377 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.757 6.509 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.454 7.354 2.000 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.322 6.336 1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.485 4.463 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.884 3.401 3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.072 4.928 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.304 3.657 2.098 1.00 0.00 H new ATOM 1183 N LYS A 73 -14.126 7.142 4.804 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.715 7.927 5.972 1.00 0.00 C ATOM 1185 C LYS A 73 -12.648 8.975 5.606 1.00 0.00 C ATOM 1186 O LYS A 73 -12.903 10.154 5.781 1.00 0.00 O ATOM 1187 CB LYS A 73 -13.275 6.950 7.059 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.752 7.432 8.429 1.00 0.00 C ATOM 1189 CD LYS A 73 -13.757 6.254 9.404 1.00 0.00 C ATOM 1190 CE LYS A 73 -13.829 6.693 10.870 1.00 0.00 C ATOM 1191 NZ LYS A 73 -15.123 7.269 11.269 1.00 0.00 N ATOM 0 H LYS A 73 -13.501 6.364 4.593 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.549 8.516 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.680 5.959 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.189 6.857 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.098 8.222 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.752 7.858 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.607 5.608 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.856 5.659 9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.617 5.833 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.045 7.428 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.088 7.539 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.322 8.110 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.875 6.565 11.126 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.636 8.625 4.818 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.638 9.603 4.339 1.00 0.00 C ATOM 1207 C TYR A 74 -11.200 10.646 3.346 1.00 0.00 C ATOM 1208 O TYR A 74 -10.581 11.677 3.101 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.464 8.821 3.745 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.300 9.714 3.364 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.431 10.201 4.336 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -8.136 10.064 2.030 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.393 11.026 3.965 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -7.091 10.872 1.654 1.00 0.00 C ATOM 1215 CZ TYR A 74 -6.215 11.354 2.623 1.00 0.00 C ATOM 1216 OH TYR A 74 -5.167 12.094 2.217 1.00 0.00 O ATOM 0 H TYR A 74 -11.477 7.672 4.492 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.311 10.202 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.125 8.078 4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.804 8.278 2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.570 9.934 5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.831 9.700 1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.719 11.418 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.950 11.131 0.615 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.211 12.218 1.246 1.00 0.00 H new ATOM 1226 N MET A 75 -12.357 10.341 2.768 1.00 0.00 N ATOM 1227 CA MET A 75 -13.083 11.220 1.833 1.00 0.00 C ATOM 1228 C MET A 75 -14.106 12.124 2.528 1.00 0.00 C ATOM 1229 O MET A 75 -14.078 13.334 2.337 1.00 0.00 O ATOM 1230 CB MET A 75 -13.789 10.425 0.728 1.00 0.00 C ATOM 1231 CG MET A 75 -12.786 9.773 -0.222 1.00 0.00 C ATOM 1232 SD MET A 75 -13.439 9.638 -1.921 1.00 0.00 S ATOM 1233 CE MET A 75 -12.154 10.550 -2.750 1.00 0.00 C ATOM 0 H MET A 75 -12.835 9.456 2.935 1.00 0.00 H new ATOM 0 HA MET A 75 -12.315 11.854 1.389 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.419 9.657 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.447 11.088 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.865 10.357 -0.233 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.530 8.780 0.148 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.365 10.587 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.114 11.564 -2.353 1.00 0.00 H new ATOM 0 HE3 MET A 75 -11.195 10.058 -2.586 1.00 0.00 H new ATOM 1243 N LYS A 76 -15.013 11.515 3.293 1.00 0.00 N ATOM 1244 CA LYS A 76 -16.044 12.271 4.029 1.00 0.00 C ATOM 1245 C LYS A 76 -15.545 12.870 5.347 1.00 0.00 C ATOM 1246 O LYS A 76 -15.676 14.070 5.578 1.00 0.00 O ATOM 1247 CB LYS A 76 -17.260 11.375 4.253 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.450 11.978 3.513 1.00 0.00 C ATOM 1249 CD LYS A 76 -19.568 10.947 3.387 1.00 0.00 C ATOM 1250 CE LYS A 76 -20.794 11.577 2.729 1.00 0.00 C ATOM 1251 NZ LYS A 76 -21.869 10.584 2.630 1.00 0.00 N ATOM 0 H LYS A 76 -15.060 10.504 3.423 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.320 13.127 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.060 10.367 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.479 11.293 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.813 12.856 4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.141 12.313 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.225 10.098 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.832 10.563 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.131 12.434 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.536 11.947 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.701 11.017 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.546 9.779 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.123 10.251 3.582 1.00 0.00 H new ATOM 1265 N SER A 77 -14.854 12.045 6.125 1.00 0.00 N ATOM 1266 CA SER A 77 -14.235 12.486 7.391 1.00 0.00 C ATOM 1267 C SER A 77 -12.978 13.311 7.072 1.00 0.00 C ATOM 1268 O SER A 77 -12.703 14.274 7.785 1.00 0.00 O ATOM 1269 CB SER A 77 -13.901 11.271 8.265 1.00 0.00 C ATOM 1270 OG SER A 77 -13.975 11.541 9.667 1.00 0.00 O ATOM 0 H SER A 77 -14.702 11.060 5.909 1.00 0.00 H new ATOM 0 HA SER A 77 -14.931 13.112 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.587 10.459 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.897 10.923 8.022 1.00 0.00 H new ATOM 0 HG SER A 77 -13.754 10.729 10.169 1.00 0.00 H new ATOM 1276 N GLY A 78 -12.204 12.883 6.050 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.986 13.578 5.566 1.00 0.00 C ATOM 1278 C GLY A 78 -10.029 13.965 6.702 1.00 0.00 C ATOM 1279 O GLY A 78 -9.275 14.931 6.630 1.00 0.00 O ATOM 0 H GLY A 78 -12.410 12.031 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.462 12.934 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.278 14.476 5.022 1.00 0.00 H new ATOM 1283 N ASN A 79 -10.107 13.170 7.762 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.425 13.477 9.013 1.00 0.00 C ATOM 1285 C ASN A 79 -8.129 12.684 9.003 1.00 0.00 C ATOM 1286 O ASN A 79 -8.125 11.451 8.931 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.323 13.081 10.193 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.143 14.026 11.382 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -9.086 14.609 11.604 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -11.160 14.135 12.204 1.00 0.00 N ATOM 0 H ASN A 79 -10.640 12.301 7.779 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.210 14.541 9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.366 13.090 9.876 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.092 12.061 10.500 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.079 14.711 13.042 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.032 13.644 12.005 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.042 13.442 9.125 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.680 12.887 9.270 1.00 0.00 C ATOM 1299 C VAL A 80 -5.628 11.864 10.418 1.00 0.00 C ATOM 1300 O VAL A 80 -4.842 10.935 10.332 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.616 14.004 9.378 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -3.238 13.536 9.873 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.401 14.614 7.991 1.00 0.00 C ATOM 0 H VAL A 80 -7.071 14.462 9.127 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.427 12.339 8.362 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.007 14.709 10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.559 14.387 9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.337 13.100 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.840 12.788 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.652 15.404 8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.057 13.841 7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.340 15.032 7.628 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.602 11.905 11.327 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.784 10.856 12.345 1.00 0.00 C ATOM 1315 C LYS A 81 -6.866 9.414 11.798 1.00 0.00 C ATOM 1316 O LYS A 81 -6.411 8.476 12.451 1.00 0.00 O ATOM 1317 CB LYS A 81 -7.992 11.159 13.235 1.00 0.00 C ATOM 1318 CG LYS A 81 -7.582 11.441 14.685 1.00 0.00 C ATOM 1319 CD LYS A 81 -6.594 10.400 15.230 1.00 0.00 C ATOM 1320 CE LYS A 81 -6.671 10.266 16.746 1.00 0.00 C ATOM 1321 NZ LYS A 81 -5.344 9.943 17.284 1.00 0.00 N ATOM 0 H LYS A 81 -7.286 12.659 11.383 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.869 10.886 12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.529 12.020 12.836 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.681 10.315 13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.131 12.432 14.746 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.472 11.457 15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.799 9.433 14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.580 10.680 14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.035 11.195 17.184 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.383 9.486 17.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.401 9.853 18.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.013 9.046 16.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.676 10.702 17.039 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.338 9.274 10.560 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.267 8.005 9.805 1.00 0.00 C ATOM 1337 C ASP A 82 -5.929 7.784 9.087 1.00 0.00 C ATOM 1338 O ASP A 82 -5.357 6.696 9.123 1.00 0.00 O ATOM 1339 CB ASP A 82 -8.392 7.920 8.775 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.594 7.150 9.318 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.374 6.119 9.991 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -10.711 7.606 9.007 1.00 0.00 O ATOM 0 H ASP A 82 -7.783 10.033 10.044 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.371 7.222 10.556 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.702 8.925 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.024 7.432 7.873 1.00 0.00 H new ATOM 1347 N LEU A 83 -5.388 8.869 8.550 1.00 0.00 N ATOM 1348 CA LEU A 83 -4.128 8.836 7.796 1.00 0.00 C ATOM 1349 C LEU A 83 -2.902 8.608 8.695 1.00 0.00 C ATOM 1350 O LEU A 83 -2.088 7.751 8.381 1.00 0.00 O ATOM 1351 CB LEU A 83 -4.012 10.114 6.959 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.228 9.915 5.654 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.742 9.651 5.902 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.853 8.830 4.766 1.00 0.00 C ATOM 0 H LEU A 83 -5.804 9.798 8.621 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.147 7.976 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.012 10.477 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.525 10.887 7.554 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.296 10.857 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.232 9.517 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.305 10.498 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.628 8.749 6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.266 8.723 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.864 7.882 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.874 9.113 4.509 1.00 0.00 H new ATOM 1366 N THR A 84 -2.885 9.221 9.875 1.00 0.00 N ATOM 1367 CA THR A 84 -1.854 9.010 10.921 1.00 0.00 C ATOM 1368 C THR A 84 -1.685 7.516 11.269 1.00 0.00 C ATOM 1369 O THR A 84 -0.572 7.006 11.375 1.00 0.00 O ATOM 1370 CB THR A 84 -2.145 9.858 12.181 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.139 9.633 13.167 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.507 9.607 12.832 1.00 0.00 C ATOM 0 H THR A 84 -3.598 9.896 10.150 1.00 0.00 H new ATOM 0 HA THR A 84 -0.904 9.351 10.509 1.00 0.00 H new ATOM 0 HB THR A 84 -2.149 10.888 11.824 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.331 10.175 13.960 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.616 10.248 13.707 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.299 9.831 12.117 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.578 8.563 13.137 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.810 6.806 11.222 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.863 5.341 11.379 1.00 0.00 C ATOM 1382 C GLN A 85 -2.498 4.567 10.108 1.00 0.00 C ATOM 1383 O GLN A 85 -1.674 3.659 10.157 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.249 4.925 11.852 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.162 4.531 13.323 1.00 0.00 C ATOM 1386 CD GLN A 85 -5.544 4.191 13.865 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -6.274 3.343 13.365 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -5.913 4.861 14.928 1.00 0.00 N ATOM 0 H GLN A 85 -3.725 7.230 11.072 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.107 5.085 12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.956 5.745 11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.617 4.089 11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.499 3.674 13.438 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.729 5.348 13.900 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.291 5.563 15.330 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.822 4.681 15.354 1.00 0.00 H new ATOM 1397 N ALA A 86 -3.054 4.985 8.972 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.700 4.429 7.651 1.00 0.00 C ATOM 1399 C ALA A 86 -1.190 4.534 7.366 1.00 0.00 C ATOM 1400 O ALA A 86 -0.580 3.521 7.043 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.518 5.126 6.565 1.00 0.00 C ATOM 0 H ALA A 86 -3.763 5.718 8.933 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.942 3.366 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.255 4.714 5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.580 4.967 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.303 6.195 6.577 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.577 5.647 7.777 1.00 0.00 N ATOM 1408 CA TRP A 87 0.884 5.868 7.761 1.00 0.00 C ATOM 1409 C TRP A 87 1.602 4.815 8.611 1.00 0.00 C ATOM 1410 O TRP A 87 2.509 4.166 8.106 1.00 0.00 O ATOM 1411 CB TRP A 87 1.219 7.290 8.240 1.00 0.00 C ATOM 1412 CG TRP A 87 2.593 7.432 8.926 1.00 0.00 C ATOM 1413 CD1 TRP A 87 2.763 7.656 10.229 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.845 7.283 8.359 1.00 0.00 C ATOM 1415 NE1 TRP A 87 4.064 7.676 10.504 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.767 7.458 9.403 1.00 0.00 C ATOM 1417 CE3 TRP A 87 4.300 7.078 7.065 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 6.123 7.438 9.127 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 5.659 7.021 6.802 1.00 0.00 C ATOM 1420 CH2 TRP A 87 6.576 7.211 7.839 1.00 0.00 C ATOM 0 H TRP A 87 -1.093 6.447 8.142 1.00 0.00 H new ATOM 0 HA TRP A 87 1.237 5.765 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 87 1.184 7.965 7.385 1.00 0.00 H new ATOM 0 HB3 TRP A 87 0.446 7.616 8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.970 7.799 10.948 1.00 0.00 H new ATOM 0 HE1 TRP A 87 4.463 7.836 11.429 1.00 0.00 H new ATOM 0 HE3 TRP A 87 3.591 6.962 6.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.834 7.601 9.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.009 6.830 5.798 1.00 0.00 H new ATOM 0 HH2 TRP A 87 7.636 7.181 7.636 1.00 0.00 H new ATOM 1431 N ASP A 88 1.030 4.505 9.770 1.00 0.00 N ATOM 1432 CA ASP A 88 1.584 3.488 10.676 1.00 0.00 C ATOM 1433 C ASP A 88 1.485 2.099 10.030 1.00 0.00 C ATOM 1434 O ASP A 88 2.492 1.424 9.953 1.00 0.00 O ATOM 1435 CB ASP A 88 0.869 3.525 12.030 1.00 0.00 C ATOM 1436 CG ASP A 88 1.768 3.047 13.176 1.00 0.00 C ATOM 1437 OD1 ASP A 88 2.970 3.391 13.151 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.215 2.386 14.082 1.00 0.00 O ATOM 0 H ASP A 88 0.175 4.944 10.112 1.00 0.00 H new ATOM 0 HA ASP A 88 2.637 3.707 10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.534 4.542 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.022 2.899 11.985 1.00 0.00 H new ATOM 1443 N LEU A 89 0.384 1.820 9.334 1.00 0.00 N ATOM 1444 CA LEU A 89 0.183 0.558 8.598 1.00 0.00 C ATOM 1445 C LEU A 89 1.100 0.442 7.369 1.00 0.00 C ATOM 1446 O LEU A 89 1.782 -0.567 7.203 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.296 0.463 8.208 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.214 0.257 9.415 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.653 0.586 9.016 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -2.131 -1.179 9.943 1.00 0.00 C ATOM 0 H LEU A 89 -0.404 2.464 9.260 1.00 0.00 H new ATOM 0 HA LEU A 89 0.453 -0.278 9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.589 1.374 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.431 -0.363 7.509 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.889 0.923 10.214 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.311 0.441 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.711 1.623 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.965 -0.071 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.795 -1.291 10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.432 -1.873 9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.107 -1.396 10.247 1.00 0.00 H new ATOM 1462 N TYR A 90 1.186 1.525 6.602 1.00 0.00 N ATOM 1463 CA TYR A 90 2.093 1.682 5.448 1.00 0.00 C ATOM 1464 C TYR A 90 3.572 1.581 5.828 1.00 0.00 C ATOM 1465 O TYR A 90 4.302 0.814 5.217 1.00 0.00 O ATOM 1466 CB TYR A 90 1.839 3.030 4.759 1.00 0.00 C ATOM 1467 CG TYR A 90 0.474 3.097 4.076 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.033 2.067 3.246 1.00 0.00 C ATOM 1469 CD2 TYR A 90 -0.322 4.223 4.250 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -1.176 2.171 2.592 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -1.542 4.323 3.611 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.963 3.307 2.760 1.00 0.00 C ATOM 1473 OH TYR A 90 -3.115 3.449 2.072 1.00 0.00 O ATOM 0 H TYR A 90 0.610 2.351 6.765 1.00 0.00 H new ATOM 0 HA TYR A 90 1.875 0.858 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.911 3.829 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.620 3.208 4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.641 1.184 3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.016 5.025 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.513 1.371 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.168 5.188 3.772 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.785 3.882 2.641 1.00 0.00 H new ATOM 1483 N TYR A 91 3.954 2.266 6.900 1.00 0.00 N ATOM 1484 CA TYR A 91 5.318 2.273 7.460 1.00 0.00 C ATOM 1485 C TYR A 91 5.700 0.968 8.183 1.00 0.00 C ATOM 1486 O TYR A 91 6.760 0.398 7.938 1.00 0.00 O ATOM 1487 CB TYR A 91 5.418 3.465 8.410 1.00 0.00 C ATOM 1488 CG TYR A 91 6.855 3.794 8.769 1.00 0.00 C ATOM 1489 CD1 TYR A 91 7.737 4.216 7.777 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.256 3.767 10.098 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.013 4.616 8.111 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.532 4.167 10.437 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.418 4.581 9.445 1.00 0.00 C ATOM 1494 OH TYR A 91 10.688 4.906 9.772 1.00 0.00 O ATOM 0 H TYR A 91 3.308 2.854 7.427 1.00 0.00 H new ATOM 0 HA TYR A 91 6.026 2.356 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.953 4.336 7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.858 3.250 9.320 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.421 4.230 6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.571 3.434 10.864 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.695 4.954 7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.844 4.159 11.471 1.00 0.00 H new ATOM 0 HH TYR A 91 10.805 4.831 10.742 1.00 0.00 H new ATOM 1504 N HIS A 92 4.779 0.445 8.986 1.00 0.00 N ATOM 1505 CA HIS A 92 4.935 -0.857 9.671 1.00 0.00 C ATOM 1506 C HIS A 92 5.050 -1.999 8.652 1.00 0.00 C ATOM 1507 O HIS A 92 5.906 -2.870 8.781 1.00 0.00 O ATOM 1508 CB HIS A 92 3.748 -1.086 10.616 1.00 0.00 C ATOM 1509 CG HIS A 92 3.733 -2.408 11.394 1.00 0.00 C ATOM 1510 ND1 HIS A 92 2.632 -3.099 11.654 1.00 0.00 N ATOM 1511 CD2 HIS A 92 4.763 -3.035 11.952 1.00 0.00 C ATOM 1512 CE1 HIS A 92 2.983 -4.169 12.368 1.00 0.00 C ATOM 1513 NE2 HIS A 92 4.296 -4.129 12.552 1.00 0.00 N ATOM 0 H HIS A 92 3.893 0.907 9.189 1.00 0.00 H new ATOM 0 HA HIS A 92 5.855 -0.842 10.256 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.723 -0.267 11.335 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.830 -1.025 10.031 1.00 0.00 H new ATOM 0 HD1 HIS A 92 1.686 -2.856 11.360 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.794 -2.715 11.924 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.315 -4.935 12.733 1.00 0.00 H new ATOM 1521 N VAL A 93 4.291 -1.882 7.563 1.00 0.00 N ATOM 1522 CA VAL A 93 4.364 -2.854 6.461 1.00 0.00 C ATOM 1523 C VAL A 93 5.572 -2.598 5.551 1.00 0.00 C ATOM 1524 O VAL A 93 6.077 -3.532 4.941 1.00 0.00 O ATOM 1525 CB VAL A 93 3.048 -2.941 5.679 1.00 0.00 C ATOM 1526 CG1 VAL A 93 2.896 -1.927 4.533 1.00 0.00 C ATOM 1527 CG2 VAL A 93 2.882 -4.377 5.196 1.00 0.00 C ATOM 0 H VAL A 93 3.619 -1.129 7.416 1.00 0.00 H new ATOM 0 HA VAL A 93 4.517 -3.835 6.912 1.00 0.00 H new ATOM 0 HB VAL A 93 2.245 -2.662 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.933 -2.072 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.951 -0.915 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.696 -2.075 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.952 -4.467 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.721 -4.644 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.855 -5.049 6.054 1.00 0.00 H new ATOM 1537 N PHE A 94 5.998 -1.340 5.481 1.00 0.00 N ATOM 1538 CA PHE A 94 7.143 -0.879 4.682 1.00 0.00 C ATOM 1539 C PHE A 94 8.409 -1.704 4.948 1.00 0.00 C ATOM 1540 O PHE A 94 9.282 -1.750 4.093 1.00 0.00 O ATOM 1541 CB PHE A 94 7.377 0.602 4.996 1.00 0.00 C ATOM 1542 CG PHE A 94 8.477 1.226 4.156 1.00 0.00 C ATOM 1543 CD1 PHE A 94 8.264 1.414 2.794 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.683 1.594 4.745 1.00 0.00 C ATOM 1545 CE1 PHE A 94 9.263 1.964 2.017 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.678 2.147 3.968 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.474 2.326 2.599 1.00 0.00 C ATOM 0 H PHE A 94 5.545 -0.584 5.994 1.00 0.00 H new ATOM 0 HA PHE A 94 6.915 -1.012 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.450 1.152 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.631 0.707 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.322 1.131 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.838 1.447 5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.105 2.113 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.615 2.442 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.259 2.747 1.989 1.00 0.00 H new ATOM 1557 N ARG A 95 8.469 -2.294 6.144 1.00 0.00 N ATOM 1558 CA ARG A 95 9.491 -3.278 6.554 1.00 0.00 C ATOM 1559 C ARG A 95 9.080 -4.755 6.354 1.00 0.00 C ATOM 1560 O ARG A 95 9.895 -5.578 5.932 1.00 0.00 O ATOM 1561 CB ARG A 95 9.790 -3.034 8.028 1.00 0.00 C ATOM 1562 CG ARG A 95 11.280 -2.810 8.255 1.00 0.00 C ATOM 1563 CD ARG A 95 11.610 -1.326 8.447 1.00 0.00 C ATOM 1564 NE ARG A 95 12.648 -1.221 9.489 1.00 0.00 N ATOM 1565 CZ ARG A 95 13.924 -1.615 9.409 1.00 0.00 C ATOM 1566 NH1 ARG A 95 14.441 -2.098 8.287 1.00 0.00 N ATOM 1567 NH2 ARG A 95 14.713 -1.519 10.465 1.00 0.00 N ATOM 0 H ARG A 95 7.791 -2.099 6.880 1.00 0.00 H new ATOM 0 HA ARG A 95 10.361 -3.131 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.231 -2.166 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.453 -3.887 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.602 -3.370 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.840 -3.200 7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.963 -0.890 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.718 -0.772 8.740 1.00 0.00 H new ATOM 0 HE ARG A 95 12.360 -0.800 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.862 -2.178 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.418 -2.390 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.349 -1.144 11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.686 -1.819 10.404 1.00 0.00 H new ATOM 1581 N ARG A 96 7.788 -5.037 6.512 1.00 0.00 N ATOM 1582 CA ARG A 96 7.159 -6.373 6.362 1.00 0.00 C ATOM 1583 C ARG A 96 7.198 -6.841 4.895 1.00 0.00 C ATOM 1584 O ARG A 96 8.064 -7.635 4.528 1.00 0.00 O ATOM 1585 CB ARG A 96 5.703 -6.331 6.854 1.00 0.00 C ATOM 1586 CG ARG A 96 5.547 -6.006 8.340 1.00 0.00 C ATOM 1587 CD ARG A 96 5.443 -7.271 9.195 1.00 0.00 C ATOM 1588 NE ARG A 96 5.688 -6.922 10.605 1.00 0.00 N ATOM 1589 CZ ARG A 96 6.881 -6.683 11.157 1.00 0.00 C ATOM 1590 NH1 ARG A 96 8.003 -6.713 10.446 1.00 0.00 N ATOM 1591 NH2 ARG A 96 6.962 -6.364 12.436 1.00 0.00 N ATOM 0 H ARG A 96 7.110 -4.316 6.759 1.00 0.00 H new ATOM 0 HA ARG A 96 7.725 -7.082 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.157 -5.588 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.237 -7.296 6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.398 -5.412 8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.656 -5.395 8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.455 -7.719 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.169 -8.012 8.860 1.00 0.00 H new ATOM 0 HE ARG A 96 4.873 -6.857 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.969 -6.923 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.898 -6.526 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.115 -6.301 13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.872 -6.181 12.859 1.00 0.00 H new ATOM 1605 N ILE A 97 6.413 -6.155 4.054 1.00 0.00 N ATOM 1606 CA ILE A 97 6.380 -6.325 2.580 1.00 0.00 C ATOM 1607 C ILE A 97 7.732 -6.045 1.905 1.00 0.00 C ATOM 1608 O ILE A 97 7.938 -6.439 0.761 1.00 0.00 O ATOM 1609 CB ILE A 97 5.284 -5.505 1.863 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.305 -3.992 2.097 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.898 -6.056 2.159 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.984 -3.230 0.961 1.00 0.00 C ATOM 0 H ILE A 97 5.761 -5.443 4.382 1.00 0.00 H new ATOM 0 HA ILE A 97 6.134 -7.381 2.465 1.00 0.00 H new ATOM 0 HB ILE A 97 5.529 -5.629 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.283 -3.632 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.823 -3.780 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.150 -5.457 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.837 -7.089 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.713 -6.017 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.970 -2.162 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.016 -3.567 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.451 -3.416 0.029 1.00 0.00 H new ATOM 1624 N SER A 98 8.586 -5.324 2.631 1.00 0.00 N ATOM 1625 CA SER A 98 9.967 -5.014 2.223 1.00 0.00 C ATOM 1626 C SER A 98 10.765 -6.304 2.016 1.00 0.00 C ATOM 1627 O SER A 98 11.050 -6.691 0.886 1.00 0.00 O ATOM 1628 CB SER A 98 10.619 -4.133 3.296 1.00 0.00 C ATOM 1629 OG SER A 98 12.035 -3.989 3.191 1.00 0.00 O ATOM 0 H SER A 98 8.338 -4.929 3.538 1.00 0.00 H new ATOM 0 HA SER A 98 9.957 -4.475 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.166 -3.143 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.385 -4.549 4.276 1.00 0.00 H new ATOM 0 HG SER A 98 12.273 -3.759 2.269 1.00 0.00 H new ATOM 1635 N LYS A 99 11.057 -6.956 3.140 1.00 0.00 N ATOM 1636 CA LYS A 99 11.926 -8.144 3.237 1.00 0.00 C ATOM 1637 C LYS A 99 12.041 -8.612 4.696 1.00 0.00 C ATOM 1638 O LYS A 99 13.127 -8.730 5.262 1.00 0.00 O ATOM 1639 CB LYS A 99 13.319 -7.913 2.609 1.00 0.00 C ATOM 1640 CG LYS A 99 13.985 -6.589 3.008 1.00 0.00 C ATOM 1641 CD LYS A 99 15.397 -6.769 3.565 1.00 0.00 C ATOM 1642 CE LYS A 99 16.376 -5.817 2.875 1.00 0.00 C ATOM 1643 NZ LYS A 99 16.962 -6.449 1.684 1.00 0.00 N ATOM 0 H LYS A 99 10.685 -6.667 4.045 1.00 0.00 H new ATOM 0 HA LYS A 99 11.454 -8.936 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.974 -8.736 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.224 -7.945 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.025 -5.933 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.368 -6.090 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.396 -6.582 4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.722 -7.800 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.860 -4.900 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.167 -5.534 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.623 -5.787 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.472 -7.311 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.206 -6.696 1.015 1.00 0.00 H new