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 35 GLN : amide:sc= -2.11 K(o=-2.7,f=-0.11) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -127:sc= -0.585 (180deg=0) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.686 K(o=0.33,f=-9.3!) USER MOD Set 2.2: A 24 SER OG : rot 112:sc= 1.02 USER MOD Single : A 4 GLN : amide:sc= -0.866 X(o=-0.87,f=-1.2) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.43! X(o=-2.4!,f=-2.1) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.094) USER MOD Single : A 16 TYR OH : rot 120:sc= -0.269 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 154:sc= -12! (180deg=-14.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -5.4! C(o=-5.4!,f=-3.7!) USER MOD Single : A 36 MET CE :methyl 173:sc= 0 (180deg=-0.0189) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.079) 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 74:sc= 0.244 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.92) USER MOD Single : A 54 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 57 GLN : amide:sc= -0.0884 K(o=-0.088,f=-1.6!) USER MOD Single : A 60 ASN : amide:sc= -2.12! K(o=-2.1!,f=-0.67) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0692) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -167:sc= -0.0533 (180deg=-0.338) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.645 -10.397 -3.758 1.00 0.00 N ATOM 102 CA LEU A 3 4.105 -9.141 -3.251 1.00 0.00 C ATOM 103 C LEU A 3 5.209 -8.102 -3.083 1.00 0.00 C ATOM 104 O LEU A 3 5.193 -7.313 -2.138 1.00 0.00 O ATOM 105 CB LEU A 3 3.397 -9.370 -1.914 1.00 0.00 C ATOM 106 CG LEU A 3 2.333 -8.341 -1.532 1.00 0.00 C ATOM 107 CD1 LEU A 3 0.974 -8.751 -2.077 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.275 -8.169 -0.021 1.00 0.00 C ATOM 0 HA LEU A 3 3.384 -8.765 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.930 -10.354 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.150 -9.393 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 3 2.605 -7.383 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.229 -8.007 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.024 -8.821 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.693 -9.720 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.512 -7.433 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.027 -9.123 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.244 -7.828 0.344 1.00 0.00 H new ATOM 120 N GLN A 4 6.164 -8.106 -4.007 1.00 0.00 N ATOM 121 CA GLN A 4 7.274 -7.163 -3.962 1.00 0.00 C ATOM 122 C GLN A 4 6.976 -5.929 -4.807 1.00 0.00 C ATOM 123 O GLN A 4 6.927 -4.811 -4.295 1.00 0.00 O ATOM 124 CB GLN A 4 8.560 -7.832 -4.451 1.00 0.00 C ATOM 125 CG GLN A 4 9.819 -7.274 -3.807 1.00 0.00 C ATOM 126 CD GLN A 4 9.797 -7.378 -2.295 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.241 -6.470 -1.592 1.00 0.00 O ATOM 128 NE2 GLN A 4 9.276 -8.488 -1.785 1.00 0.00 N ATOM 0 H GLN A 4 6.191 -8.752 -4.796 1.00 0.00 H new ATOM 0 HA GLN A 4 7.407 -6.848 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.502 -8.902 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.632 -7.715 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.687 -7.810 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.936 -6.229 -4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.919 -9.215 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.232 -8.613 -0.774 1.00 0.00 H new ATOM 137 N MET A 5 6.777 -6.140 -6.104 1.00 0.00 N ATOM 138 CA MET A 5 6.482 -5.045 -7.020 1.00 0.00 C ATOM 139 C MET A 5 5.310 -4.211 -6.512 1.00 0.00 C ATOM 140 O MET A 5 5.086 -3.092 -6.974 1.00 0.00 O ATOM 141 CB MET A 5 6.169 -5.589 -8.416 1.00 0.00 C ATOM 142 CG MET A 5 7.338 -6.314 -9.062 1.00 0.00 C ATOM 143 SD MET A 5 6.824 -7.409 -10.398 1.00 0.00 S ATOM 144 CE MET A 5 7.368 -6.477 -11.828 1.00 0.00 C ATOM 0 H MET A 5 6.815 -7.059 -6.544 1.00 0.00 H new ATOM 0 HA MET A 5 7.363 -4.405 -7.076 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.321 -6.271 -8.350 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.864 -4.763 -9.059 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.045 -5.581 -9.450 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.864 -6.894 -8.304 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.120 -7.026 -12.736 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.869 -5.508 -11.842 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.447 -6.329 -11.777 1.00 0.00 H new ATOM 154 N ILE A 6 4.566 -4.764 -5.560 1.00 0.00 N ATOM 155 CA ILE A 6 3.417 -4.071 -4.989 1.00 0.00 C ATOM 156 C ILE A 6 3.845 -3.133 -3.866 1.00 0.00 C ATOM 157 O ILE A 6 3.716 -1.913 -3.978 1.00 0.00 O ATOM 158 CB ILE A 6 2.374 -5.064 -4.445 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.418 -6.370 -5.240 1.00 0.00 C ATOM 160 CG2 ILE A 6 0.982 -4.451 -4.499 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.662 -6.170 -6.719 1.00 0.00 C ATOM 0 H ILE A 6 4.738 -5.690 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 6 2.967 -3.489 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 6 2.612 -5.286 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.204 -7.007 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.475 -6.900 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.255 -5.165 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.960 -3.545 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.733 -4.204 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.681 -7.138 -7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.863 -5.559 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.618 -5.668 -6.865 1.00 0.00 H new ATOM 173 N VAL A 7 4.355 -3.710 -2.782 1.00 0.00 N ATOM 174 CA VAL A 7 4.805 -2.925 -1.638 1.00 0.00 C ATOM 175 C VAL A 7 5.966 -2.014 -2.019 1.00 0.00 C ATOM 176 O VAL A 7 6.043 -0.871 -1.570 1.00 0.00 O ATOM 177 CB VAL A 7 5.240 -3.832 -0.472 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.058 -4.635 0.050 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.369 -4.754 -0.907 1.00 0.00 C ATOM 0 H VAL A 7 4.467 -4.718 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 7 3.959 -2.316 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 7 5.607 -3.202 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.385 -5.270 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.283 -3.954 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.658 -5.257 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.664 -5.388 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.031 -5.378 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.223 -4.157 -1.229 1.00 0.00 H new ATOM 189 N GLU A 8 6.867 -2.528 -2.851 1.00 0.00 N ATOM 190 CA GLU A 8 8.025 -1.759 -3.292 1.00 0.00 C ATOM 191 C GLU A 8 7.597 -0.412 -3.867 1.00 0.00 C ATOM 192 O GLU A 8 8.279 0.596 -3.689 1.00 0.00 O ATOM 193 CB GLU A 8 8.818 -2.545 -4.338 1.00 0.00 C ATOM 194 CG GLU A 8 9.562 -3.740 -3.767 1.00 0.00 C ATOM 195 CD GLU A 8 10.580 -3.345 -2.715 1.00 0.00 C ATOM 196 OE1 GLU A 8 11.719 -3.000 -3.093 1.00 0.00 O ATOM 197 OE2 GLU A 8 10.238 -3.381 -1.515 1.00 0.00 O ATOM 0 H GLU A 8 6.817 -3.473 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 8 8.661 -1.578 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.136 -2.890 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.534 -1.877 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.845 -4.435 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.067 -4.269 -4.575 1.00 0.00 H new ATOM 204 N ASN A 9 6.461 -0.405 -4.558 1.00 0.00 N ATOM 205 CA ASN A 9 5.942 0.817 -5.162 1.00 0.00 C ATOM 206 C ASN A 9 5.831 1.931 -4.125 1.00 0.00 C ATOM 207 O ASN A 9 6.019 3.107 -4.439 1.00 0.00 O ATOM 208 CB ASN A 9 4.574 0.556 -5.795 1.00 0.00 C ATOM 209 CG ASN A 9 4.681 -0.144 -7.135 1.00 0.00 C ATOM 210 OD1 ASN A 9 5.585 0.135 -7.923 1.00 0.00 O ATOM 211 ND2 ASN A 9 3.755 -1.059 -7.400 1.00 0.00 N ATOM 0 H ASN A 9 5.883 -1.231 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 9 6.639 1.135 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.973 -0.051 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.050 1.503 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.775 -1.563 -8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.024 -1.258 -6.717 1.00 0.00 H new ATOM 218 N VAL A 10 5.526 1.553 -2.888 1.00 0.00 N ATOM 219 CA VAL A 10 5.392 2.518 -1.804 1.00 0.00 C ATOM 220 C VAL A 10 6.668 3.336 -1.636 1.00 0.00 C ATOM 221 O VAL A 10 6.626 4.565 -1.563 1.00 0.00 O ATOM 222 CB VAL A 10 5.061 1.823 -0.470 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.885 2.849 0.638 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.816 0.962 -0.613 1.00 0.00 C ATOM 0 H VAL A 10 5.367 0.584 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 10 4.570 3.182 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 10 5.895 1.174 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.652 2.339 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.807 3.419 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.070 3.526 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.597 0.478 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.973 1.588 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.985 0.202 -1.376 1.00 0.00 H new ATOM 234 N LYS A 11 7.802 2.647 -1.574 1.00 0.00 N ATOM 235 CA LYS A 11 9.092 3.308 -1.416 1.00 0.00 C ATOM 236 C LYS A 11 9.328 4.315 -2.537 1.00 0.00 C ATOM 237 O LYS A 11 9.853 5.405 -2.306 1.00 0.00 O ATOM 238 CB LYS A 11 10.220 2.273 -1.399 1.00 0.00 C ATOM 239 CG LYS A 11 10.107 1.270 -0.264 1.00 0.00 C ATOM 240 CD LYS A 11 9.772 1.951 1.051 1.00 0.00 C ATOM 241 CE LYS A 11 10.175 1.094 2.242 1.00 0.00 C ATOM 242 NZ LYS A 11 11.650 1.089 2.447 1.00 0.00 N ATOM 0 H LYS A 11 7.854 1.630 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 11 9.084 3.843 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.224 1.737 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.176 2.791 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.337 0.536 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.046 0.725 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.282 2.913 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.702 2.155 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.685 1.468 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.826 0.073 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.869 0.701 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.100 0.501 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.013 2.061 2.381 1.00 0.00 H new ATOM 256 N LEU A 12 8.937 3.944 -3.751 1.00 0.00 N ATOM 257 CA LEU A 12 9.105 4.816 -4.909 1.00 0.00 C ATOM 258 C LEU A 12 8.144 5.999 -4.843 1.00 0.00 C ATOM 259 O LEU A 12 8.527 7.137 -5.111 1.00 0.00 O ATOM 260 CB LEU A 12 8.877 4.030 -6.201 1.00 0.00 C ATOM 261 CG LEU A 12 9.479 4.635 -7.470 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.570 5.718 -8.028 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.866 5.193 -7.188 1.00 0.00 C ATOM 0 H LEU A 12 8.501 3.046 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 12 10.125 5.199 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.287 3.028 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.803 3.918 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 12 9.571 3.847 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.015 6.137 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.597 5.289 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.445 6.506 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.279 5.619 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.798 5.968 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.516 4.392 -6.835 1.00 0.00 H new ATOM 275 N ALA A 13 6.895 5.721 -4.483 1.00 0.00 N ATOM 276 CA ALA A 13 5.881 6.763 -4.378 1.00 0.00 C ATOM 277 C ALA A 13 6.257 7.789 -3.315 1.00 0.00 C ATOM 278 O ALA A 13 6.206 8.995 -3.557 1.00 0.00 O ATOM 279 CB ALA A 13 4.525 6.149 -4.067 1.00 0.00 C ATOM 0 H ALA A 13 6.561 4.783 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 13 5.823 7.278 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.777 6.938 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.246 5.460 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.579 5.608 -3.122 1.00 0.00 H new ATOM 285 N ARG A 14 6.632 7.303 -2.136 1.00 0.00 N ATOM 286 CA ARG A 14 7.014 8.178 -1.035 1.00 0.00 C ATOM 287 C ARG A 14 8.172 9.087 -1.439 1.00 0.00 C ATOM 288 O ARG A 14 8.173 10.279 -1.133 1.00 0.00 O ATOM 289 CB ARG A 14 7.405 7.351 0.191 1.00 0.00 C ATOM 290 CG ARG A 14 7.861 8.191 1.372 1.00 0.00 C ATOM 291 CD ARG A 14 6.679 8.724 2.166 1.00 0.00 C ATOM 292 NE ARG A 14 6.255 7.793 3.208 1.00 0.00 N ATOM 293 CZ ARG A 14 6.918 7.609 4.344 1.00 0.00 C ATOM 294 NH1 ARG A 14 8.031 8.289 4.583 1.00 0.00 N ATOM 295 NH2 ARG A 14 6.469 6.744 5.244 1.00 0.00 N ATOM 0 H ARG A 14 6.679 6.307 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 14 6.155 8.801 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.553 6.743 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.204 6.663 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.497 7.591 2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.466 9.024 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.948 9.678 2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.845 8.916 1.490 1.00 0.00 H new ATOM 0 HE ARG A 14 5.403 7.254 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.380 8.955 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.538 8.146 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.613 6.219 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.980 6.604 6.116 1.00 0.00 H new ATOM 309 N GLU A 15 9.154 8.514 -2.128 1.00 0.00 N ATOM 310 CA GLU A 15 10.318 9.273 -2.572 1.00 0.00 C ATOM 311 C GLU A 15 9.897 10.455 -3.440 1.00 0.00 C ATOM 312 O GLU A 15 10.535 11.508 -3.425 1.00 0.00 O ATOM 313 CB GLU A 15 11.276 8.370 -3.351 1.00 0.00 C ATOM 314 CG GLU A 15 12.613 9.023 -3.659 1.00 0.00 C ATOM 315 CD GLU A 15 13.710 8.010 -3.922 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.485 7.090 -4.736 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.794 8.137 -3.315 1.00 0.00 O ATOM 0 H GLU A 15 9.167 7.528 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 15 10.829 9.656 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.450 7.459 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.802 8.073 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.505 9.670 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.904 9.659 -2.823 1.00 0.00 H new ATOM 324 N TYR A 16 8.820 10.273 -4.196 1.00 0.00 N ATOM 325 CA TYR A 16 8.316 11.323 -5.073 1.00 0.00 C ATOM 326 C TYR A 16 7.646 12.431 -4.267 1.00 0.00 C ATOM 327 O TYR A 16 7.747 13.610 -4.608 1.00 0.00 O ATOM 328 CB TYR A 16 7.324 10.740 -6.082 1.00 0.00 C ATOM 329 CG TYR A 16 7.983 9.970 -7.204 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.036 9.100 -6.951 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.551 10.112 -8.517 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.641 8.395 -7.973 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.150 9.410 -9.545 1.00 0.00 C ATOM 334 CZ TYR A 16 9.195 8.554 -9.268 1.00 0.00 C ATOM 335 OH TYR A 16 9.794 7.852 -10.289 1.00 0.00 O ATOM 0 H TYR A 16 8.279 9.408 -4.219 1.00 0.00 H new ATOM 0 HA TYR A 16 9.163 11.751 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.631 10.081 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.733 11.551 -6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.388 8.973 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.733 10.782 -8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.459 7.723 -7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.802 9.531 -10.560 1.00 0.00 H new ATOM 0 HH TYR A 16 9.129 7.283 -10.729 1.00 0.00 H new ATOM 345 N ALA A 17 6.964 12.045 -3.194 1.00 0.00 N ATOM 346 CA ALA A 17 6.280 13.005 -2.337 1.00 0.00 C ATOM 347 C ALA A 17 7.273 13.949 -1.669 1.00 0.00 C ATOM 348 O ALA A 17 7.031 15.153 -1.570 1.00 0.00 O ATOM 349 CB ALA A 17 5.451 12.278 -1.287 1.00 0.00 C ATOM 0 H ALA A 17 6.870 11.074 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 17 5.614 13.602 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.945 13.007 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.709 11.650 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.104 11.656 -0.674 1.00 0.00 H new ATOM 355 N LEU A 18 8.391 13.397 -1.212 1.00 0.00 N ATOM 356 CA LEU A 18 9.422 14.191 -0.552 1.00 0.00 C ATOM 357 C LEU A 18 10.127 15.105 -1.549 1.00 0.00 C ATOM 358 O LEU A 18 10.321 16.293 -1.288 1.00 0.00 O ATOM 359 CB LEU A 18 10.442 13.275 0.127 1.00 0.00 C ATOM 360 CG LEU A 18 9.867 12.099 0.917 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.933 11.481 1.808 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.671 12.546 1.745 1.00 0.00 C ATOM 0 H LEU A 18 8.607 12.403 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 18 8.940 14.811 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.112 12.881 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.049 13.878 0.802 1.00 0.00 H new ATOM 0 HG LEU A 18 9.531 11.341 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.505 10.646 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.759 11.123 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.301 12.231 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.275 11.696 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.982 13.323 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.898 12.940 1.085 1.00 0.00 H new ATOM 374 N LEU A 19 10.506 14.544 -2.692 1.00 0.00 N ATOM 375 CA LEU A 19 11.188 15.309 -3.730 1.00 0.00 C ATOM 376 C LEU A 19 10.371 16.534 -4.129 1.00 0.00 C ATOM 377 O LEU A 19 10.920 17.612 -4.354 1.00 0.00 O ATOM 378 CB LEU A 19 11.441 14.430 -4.956 1.00 0.00 C ATOM 379 CG LEU A 19 12.778 13.689 -4.986 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.955 12.856 -3.726 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.874 12.811 -6.225 1.00 0.00 C ATOM 0 H LEU A 19 10.353 13.562 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 19 12.144 15.647 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.639 13.695 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.375 15.055 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 19 13.579 14.427 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.912 12.336 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.932 13.508 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.148 12.126 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.832 12.291 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.065 12.080 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.794 13.431 -7.118 1.00 0.00 H new ATOM 393 N GLY A 20 9.056 16.361 -4.212 1.00 0.00 N ATOM 394 CA GLY A 20 8.184 17.461 -4.581 1.00 0.00 C ATOM 395 C GLY A 20 7.014 17.012 -5.434 1.00 0.00 C ATOM 396 O GLY A 20 6.086 17.781 -5.679 1.00 0.00 O ATOM 0 H GLY A 20 8.578 15.478 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.808 17.941 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.760 18.210 -5.124 1.00 0.00 H new ATOM 400 N ASN A 21 7.059 15.764 -5.889 1.00 0.00 N ATOM 401 CA ASN A 21 5.995 15.216 -6.722 1.00 0.00 C ATOM 402 C ASN A 21 5.094 14.289 -5.912 1.00 0.00 C ATOM 403 O ASN A 21 5.433 13.129 -5.674 1.00 0.00 O ATOM 404 CB ASN A 21 6.590 14.457 -7.911 1.00 0.00 C ATOM 405 CG ASN A 21 5.686 14.490 -9.128 1.00 0.00 C ATOM 406 OD1 ASN A 21 5.333 13.449 -9.682 1.00 0.00 O ATOM 407 ND2 ASN A 21 5.306 15.691 -9.551 1.00 0.00 N ATOM 0 H ASN A 21 7.820 15.114 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 21 5.393 16.046 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.557 14.890 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.771 13.421 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.698 15.776 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.623 16.528 -9.061 1.00 0.00 H new ATOM 414 N TYR A 22 3.945 14.807 -5.493 1.00 0.00 N ATOM 415 CA TYR A 22 2.996 14.027 -4.709 1.00 0.00 C ATOM 416 C TYR A 22 1.991 13.321 -5.614 1.00 0.00 C ATOM 417 O TYR A 22 1.611 12.177 -5.365 1.00 0.00 O ATOM 418 CB TYR A 22 2.259 14.929 -3.717 1.00 0.00 C ATOM 419 CG TYR A 22 3.133 16.005 -3.113 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.439 17.159 -3.824 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.652 15.868 -1.832 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.238 18.145 -3.276 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.451 16.849 -1.276 1.00 0.00 C ATOM 424 CZ TYR A 22 4.740 17.985 -2.002 1.00 0.00 C ATOM 425 OH TYR A 22 5.536 18.964 -1.452 1.00 0.00 O ATOM 0 H TYR A 22 3.648 15.764 -5.683 1.00 0.00 H new ATOM 0 HA TYR A 22 3.555 13.271 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.416 15.399 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.848 14.315 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.046 17.288 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.427 14.980 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.468 19.035 -3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.847 16.727 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 22 5.806 18.697 -0.548 1.00 0.00 H new ATOM 435 N ASP A 23 1.566 14.012 -6.666 1.00 0.00 N ATOM 436 CA ASP A 23 0.606 13.452 -7.611 1.00 0.00 C ATOM 437 C ASP A 23 1.059 12.079 -8.096 1.00 0.00 C ATOM 438 O ASP A 23 0.250 11.163 -8.242 1.00 0.00 O ATOM 439 CB ASP A 23 0.424 14.393 -8.803 1.00 0.00 C ATOM 440 CG ASP A 23 -0.948 14.268 -9.435 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.944 14.614 -8.766 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.026 13.825 -10.600 1.00 0.00 O ATOM 0 H ASP A 23 1.871 14.960 -6.886 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.349 13.339 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.578 15.422 -8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.187 14.178 -9.552 1.00 0.00 H new ATOM 447 N SER A 24 2.358 11.943 -8.345 1.00 0.00 N ATOM 448 CA SER A 24 2.918 10.683 -8.819 1.00 0.00 C ATOM 449 C SER A 24 2.800 9.600 -7.750 1.00 0.00 C ATOM 450 O SER A 24 2.612 8.425 -8.060 1.00 0.00 O ATOM 451 CB SER A 24 4.385 10.868 -9.212 1.00 0.00 C ATOM 452 OG SER A 24 4.501 11.314 -10.553 1.00 0.00 O ATOM 0 H SER A 24 3.042 12.690 -8.226 1.00 0.00 H new ATOM 0 HA SER A 24 2.351 10.369 -9.695 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.856 11.589 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.919 9.925 -9.091 1.00 0.00 H new ATOM 0 HG SER A 24 4.842 12.233 -10.564 1.00 0.00 H new ATOM 458 N ALA A 25 2.910 10.007 -6.490 1.00 0.00 N ATOM 459 CA ALA A 25 2.814 9.074 -5.374 1.00 0.00 C ATOM 460 C ALA A 25 1.431 8.434 -5.312 1.00 0.00 C ATOM 461 O ALA A 25 1.303 7.235 -5.065 1.00 0.00 O ATOM 462 CB ALA A 25 3.129 9.782 -4.065 1.00 0.00 C ATOM 0 H ALA A 25 3.066 10.977 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 25 3.546 8.282 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.053 9.073 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.140 10.186 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.419 10.595 -3.911 1.00 0.00 H new ATOM 468 N MET A 26 0.400 9.242 -5.537 1.00 0.00 N ATOM 469 CA MET A 26 -0.974 8.753 -5.507 1.00 0.00 C ATOM 470 C MET A 26 -1.204 7.710 -6.596 1.00 0.00 C ATOM 471 O MET A 26 -1.969 6.763 -6.412 1.00 0.00 O ATOM 472 CB MET A 26 -1.955 9.914 -5.680 1.00 0.00 C ATOM 473 CG MET A 26 -2.269 10.642 -4.383 1.00 0.00 C ATOM 474 SD MET A 26 -0.940 11.746 -3.867 1.00 0.00 S ATOM 475 CE MET A 26 0.095 10.617 -2.938 1.00 0.00 C ATOM 0 H MET A 26 0.490 10.237 -5.742 1.00 0.00 H new ATOM 0 HA MET A 26 -1.145 8.284 -4.538 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.541 10.625 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.883 9.534 -6.108 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.187 11.217 -4.507 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.455 9.911 -3.596 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.124 10.976 -2.947 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.260 10.561 -1.909 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.052 9.627 -3.392 1.00 0.00 H new ATOM 485 N VAL A 27 -0.537 7.891 -7.732 1.00 0.00 N ATOM 486 CA VAL A 27 -0.669 6.965 -8.851 1.00 0.00 C ATOM 487 C VAL A 27 -0.198 5.567 -8.466 1.00 0.00 C ATOM 488 O VAL A 27 -0.872 4.575 -8.746 1.00 0.00 O ATOM 489 CB VAL A 27 0.134 7.446 -10.074 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.008 6.463 -11.226 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.316 8.838 -10.492 1.00 0.00 C ATOM 0 H VAL A 27 0.100 8.670 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.727 6.930 -9.110 1.00 0.00 H new ATOM 0 HB VAL A 27 1.187 7.497 -9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.566 6.819 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.366 5.486 -10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.058 6.378 -11.504 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.262 9.163 -11.357 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.375 8.816 -10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.158 9.534 -9.668 1.00 0.00 H new ATOM 501 N TYR A 28 0.961 5.496 -7.822 1.00 0.00 N ATOM 502 CA TYR A 28 1.523 4.218 -7.399 1.00 0.00 C ATOM 503 C TYR A 28 0.734 3.635 -6.231 1.00 0.00 C ATOM 504 O TYR A 28 0.408 2.448 -6.218 1.00 0.00 O ATOM 505 CB TYR A 28 2.990 4.390 -7.002 1.00 0.00 C ATOM 506 CG TYR A 28 3.950 4.264 -8.164 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.888 5.141 -9.240 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.921 3.270 -8.184 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.762 5.030 -10.304 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.801 3.153 -9.243 1.00 0.00 C ATOM 511 CZ TYR A 28 5.717 4.034 -10.300 1.00 0.00 C ATOM 512 OH TYR A 28 6.591 3.921 -11.357 1.00 0.00 O ATOM 0 H TYR A 28 1.530 6.308 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 28 1.458 3.526 -8.239 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.120 5.368 -6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.244 3.644 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.143 5.923 -9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.989 2.577 -7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.698 5.718 -11.134 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.551 2.375 -9.243 1.00 0.00 H new ATOM 0 HH TYR A 28 7.200 3.170 -11.199 1.00 0.00 H new ATOM 522 N TYR A 29 0.429 4.479 -5.252 1.00 0.00 N ATOM 523 CA TYR A 29 -0.321 4.049 -4.078 1.00 0.00 C ATOM 524 C TYR A 29 -1.635 3.388 -4.483 1.00 0.00 C ATOM 525 O TYR A 29 -1.916 2.253 -4.097 1.00 0.00 O ATOM 526 CB TYR A 29 -0.599 5.240 -3.159 1.00 0.00 C ATOM 527 CG TYR A 29 0.555 5.580 -2.242 1.00 0.00 C ATOM 528 CD1 TYR A 29 1.062 4.639 -1.354 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.137 6.841 -2.264 1.00 0.00 C ATOM 530 CE1 TYR A 29 2.115 4.944 -0.514 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.192 7.155 -1.428 1.00 0.00 C ATOM 532 CZ TYR A 29 2.677 6.203 -0.555 1.00 0.00 C ATOM 533 OH TYR A 29 3.727 6.513 0.279 1.00 0.00 O ATOM 0 H TYR A 29 0.690 5.465 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 29 0.283 3.318 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.836 6.111 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.481 5.024 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.625 3.652 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.759 7.589 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.496 4.201 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.634 8.140 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 29 4.006 7.439 0.123 1.00 0.00 H new ATOM 543 N GLN A 30 -2.435 4.106 -5.264 1.00 0.00 N ATOM 544 CA GLN A 30 -3.720 3.590 -5.721 1.00 0.00 C ATOM 545 C GLN A 30 -3.556 2.217 -6.366 1.00 0.00 C ATOM 546 O GLN A 30 -4.371 1.320 -6.156 1.00 0.00 O ATOM 547 CB GLN A 30 -4.358 4.561 -6.716 1.00 0.00 C ATOM 548 CG GLN A 30 -5.851 4.344 -6.905 1.00 0.00 C ATOM 549 CD GLN A 30 -6.228 2.876 -6.937 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.154 2.227 -7.982 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.635 2.344 -5.791 1.00 0.00 N ATOM 0 H GLN A 30 -2.216 5.046 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.372 3.489 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.188 5.582 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.860 4.460 -7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.391 4.836 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.168 4.817 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.681 2.919 -4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.902 1.360 -5.752 1.00 0.00 H new ATOM 560 N GLY A 31 -2.496 2.061 -7.154 1.00 0.00 N ATOM 561 CA GLY A 31 -2.246 0.796 -7.818 1.00 0.00 C ATOM 562 C GLY A 31 -1.842 -0.298 -6.849 1.00 0.00 C ATOM 563 O GLY A 31 -2.212 -1.459 -7.022 1.00 0.00 O ATOM 0 H GLY A 31 -1.807 2.788 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.143 0.488 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.459 0.928 -8.560 1.00 0.00 H new ATOM 567 N VAL A 32 -1.078 0.073 -5.826 1.00 0.00 N ATOM 568 CA VAL A 32 -0.623 -0.885 -4.825 1.00 0.00 C ATOM 569 C VAL A 32 -1.800 -1.499 -4.076 1.00 0.00 C ATOM 570 O VAL A 32 -1.869 -2.715 -3.895 1.00 0.00 O ATOM 571 CB VAL A 32 0.330 -0.226 -3.810 1.00 0.00 C ATOM 572 CG1 VAL A 32 0.665 -1.194 -2.686 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.595 0.258 -4.503 1.00 0.00 C ATOM 0 H VAL A 32 -0.761 1.030 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.087 -1.670 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.172 0.638 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.339 -0.711 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.251 -1.486 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.147 -2.080 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.257 0.721 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.102 -0.588 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.334 0.988 -5.269 1.00 0.00 H new ATOM 583 N LEU A 33 -2.726 -0.650 -3.643 1.00 0.00 N ATOM 584 CA LEU A 33 -3.903 -1.109 -2.914 1.00 0.00 C ATOM 585 C LEU A 33 -4.740 -2.054 -3.770 1.00 0.00 C ATOM 586 O LEU A 33 -5.266 -3.052 -3.278 1.00 0.00 O ATOM 587 CB LEU A 33 -4.751 0.085 -2.472 1.00 0.00 C ATOM 588 CG LEU A 33 -4.222 0.878 -1.277 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.875 -0.056 -0.128 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.010 1.705 -1.680 1.00 0.00 C ATOM 0 H LEU A 33 -2.684 0.359 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.565 -1.652 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.853 0.765 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.751 -0.275 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.005 1.558 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.500 0.526 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.767 -0.603 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.109 -0.761 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.647 2.263 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.223 1.044 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.291 2.401 -2.470 1.00 0.00 H new ATOM 602 N ASP A 34 -4.858 -1.733 -5.054 1.00 0.00 N ATOM 603 CA ASP A 34 -5.629 -2.554 -5.980 1.00 0.00 C ATOM 604 C ASP A 34 -4.926 -3.883 -6.241 1.00 0.00 C ATOM 605 O ASP A 34 -5.558 -4.940 -6.238 1.00 0.00 O ATOM 606 CB ASP A 34 -5.844 -1.809 -7.298 1.00 0.00 C ATOM 607 CG ASP A 34 -7.104 -0.968 -7.288 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.962 -1.192 -6.408 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.234 -0.084 -8.161 1.00 0.00 O ATOM 0 H ASP A 34 -4.429 -0.910 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.598 -2.759 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.984 -1.168 -7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.898 -2.529 -8.115 1.00 0.00 H new ATOM 614 N GLN A 35 -3.618 -3.821 -6.466 1.00 0.00 N ATOM 615 CA GLN A 35 -2.831 -5.020 -6.730 1.00 0.00 C ATOM 616 C GLN A 35 -2.696 -5.871 -5.472 1.00 0.00 C ATOM 617 O GLN A 35 -2.621 -7.097 -5.546 1.00 0.00 O ATOM 618 CB GLN A 35 -1.445 -4.641 -7.255 1.00 0.00 C ATOM 619 CG GLN A 35 -1.478 -3.918 -8.592 1.00 0.00 C ATOM 620 CD GLN A 35 -1.547 -4.871 -9.769 1.00 0.00 C ATOM 621 OE1 GLN A 35 -0.589 -5.588 -10.059 1.00 0.00 O ATOM 622 NE2 GLN A 35 -2.685 -4.884 -10.454 1.00 0.00 N ATOM 0 H GLN A 35 -3.081 -2.954 -6.471 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.351 -5.605 -7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.948 -4.007 -6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.844 -5.545 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.339 -3.251 -8.619 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.589 -3.295 -8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.453 -4.273 -10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.790 -5.505 -11.256 1.00 0.00 H new ATOM 631 N MET A 36 -2.666 -5.212 -4.318 1.00 0.00 N ATOM 632 CA MET A 36 -2.541 -5.910 -3.044 1.00 0.00 C ATOM 633 C MET A 36 -3.697 -6.884 -2.841 1.00 0.00 C ATOM 634 O MET A 36 -3.485 -8.060 -2.547 1.00 0.00 O ATOM 635 CB MET A 36 -2.498 -4.905 -1.891 1.00 0.00 C ATOM 636 CG MET A 36 -1.094 -4.435 -1.546 1.00 0.00 C ATOM 637 SD MET A 36 -1.023 -3.551 0.024 1.00 0.00 S ATOM 638 CE MET A 36 -1.042 -4.917 1.182 1.00 0.00 C ATOM 0 H MET A 36 -2.726 -4.197 -4.239 1.00 0.00 H new ATOM 0 HA MET A 36 -1.610 -6.477 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.108 -4.040 -2.151 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.948 -5.358 -1.008 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.427 -5.296 -1.504 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.727 -3.786 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.878 -4.540 2.192 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.008 -5.420 1.135 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.252 -5.623 0.925 1.00 0.00 H new ATOM 648 N ASN A 37 -4.919 -6.387 -3.001 1.00 0.00 N ATOM 649 CA ASN A 37 -6.109 -7.215 -2.835 1.00 0.00 C ATOM 650 C ASN A 37 -6.037 -8.455 -3.720 1.00 0.00 C ATOM 651 O ASN A 37 -6.254 -9.575 -3.258 1.00 0.00 O ATOM 652 CB ASN A 37 -7.366 -6.409 -3.167 1.00 0.00 C ATOM 653 CG ASN A 37 -7.959 -5.732 -1.947 1.00 0.00 C ATOM 654 OD1 ASN A 37 -8.314 -6.390 -0.969 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.069 -4.410 -1.999 1.00 0.00 N ATOM 0 H ASN A 37 -5.112 -5.416 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.156 -7.536 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.123 -5.655 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.111 -7.070 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.461 -3.899 -1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.762 -3.905 -2.830 1.00 0.00 H new ATOM 662 N LYS A 38 -5.730 -8.247 -4.996 1.00 0.00 N ATOM 663 CA LYS A 38 -5.627 -9.347 -5.948 1.00 0.00 C ATOM 664 C LYS A 38 -4.697 -10.436 -5.422 1.00 0.00 C ATOM 665 O LYS A 38 -4.903 -11.621 -5.683 1.00 0.00 O ATOM 666 CB LYS A 38 -5.118 -8.835 -7.297 1.00 0.00 C ATOM 667 CG LYS A 38 -5.982 -7.739 -7.897 1.00 0.00 C ATOM 668 CD LYS A 38 -5.897 -7.729 -9.414 1.00 0.00 C ATOM 669 CE LYS A 38 -4.703 -6.922 -9.900 1.00 0.00 C ATOM 670 NZ LYS A 38 -4.627 -6.883 -11.387 1.00 0.00 N ATOM 0 H LYS A 38 -5.548 -7.326 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.621 -9.775 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.102 -8.459 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.066 -9.669 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.018 -7.883 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.666 -6.771 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.820 -8.752 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.814 -7.310 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.770 -5.905 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.786 -7.355 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.682 -7.190 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.346 -7.519 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.800 -5.912 -11.718 1.00 0.00 H new ATOM 684 N TYR A 39 -3.674 -10.026 -4.680 1.00 0.00 N ATOM 685 CA TYR A 39 -2.713 -10.967 -4.118 1.00 0.00 C ATOM 686 C TYR A 39 -3.338 -11.774 -2.984 1.00 0.00 C ATOM 687 O TYR A 39 -3.295 -13.005 -2.985 1.00 0.00 O ATOM 688 CB TYR A 39 -1.478 -10.223 -3.608 1.00 0.00 C ATOM 689 CG TYR A 39 -0.382 -11.138 -3.109 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.524 -11.839 -1.917 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.794 -11.303 -3.830 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.475 -12.675 -1.458 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.798 -12.139 -3.378 1.00 0.00 C ATOM 694 CZ TYR A 39 1.633 -12.822 -2.192 1.00 0.00 C ATOM 695 OH TYR A 39 2.630 -13.655 -1.738 1.00 0.00 O ATOM 0 H TYR A 39 -3.489 -9.049 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.414 -11.656 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.082 -9.600 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.775 -9.553 -2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.430 -11.728 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.926 -10.769 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.350 -13.211 -0.529 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.706 -12.256 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 39 3.377 -13.647 -2.372 1.00 0.00 H new ATOM 705 N LEU A 40 -3.920 -11.072 -2.018 1.00 0.00 N ATOM 706 CA LEU A 40 -4.557 -11.721 -0.877 1.00 0.00 C ATOM 707 C LEU A 40 -5.651 -12.679 -1.337 1.00 0.00 C ATOM 708 O LEU A 40 -5.886 -13.714 -0.712 1.00 0.00 O ATOM 709 CB LEU A 40 -5.145 -10.673 0.068 1.00 0.00 C ATOM 710 CG LEU A 40 -4.403 -9.337 0.134 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.938 -8.486 1.276 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.907 -9.565 0.292 1.00 0.00 C ATOM 0 H LEU A 40 -3.964 -10.053 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.797 -12.294 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.175 -10.479 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.180 -11.097 1.072 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.572 -8.802 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.399 -7.539 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.000 -8.294 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.800 -9.014 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.395 -8.604 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.719 -10.120 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.534 -10.135 -0.559 1.00 0.00 H new ATOM 724 N TYR A 41 -6.314 -12.329 -2.433 1.00 0.00 N ATOM 725 CA TYR A 41 -7.384 -13.158 -2.976 1.00 0.00 C ATOM 726 C TYR A 41 -6.836 -14.486 -3.491 1.00 0.00 C ATOM 727 O TYR A 41 -7.497 -15.521 -3.397 1.00 0.00 O ATOM 728 CB TYR A 41 -8.107 -12.420 -4.104 1.00 0.00 C ATOM 729 CG TYR A 41 -9.570 -12.781 -4.224 1.00 0.00 C ATOM 730 CD1 TYR A 41 -9.966 -13.969 -4.826 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.557 -11.934 -3.733 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.302 -14.302 -4.938 1.00 0.00 C ATOM 733 CE2 TYR A 41 -11.895 -12.260 -3.840 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.263 -13.445 -4.443 1.00 0.00 C ATOM 735 OH TYR A 41 -13.594 -13.774 -4.552 1.00 0.00 O ATOM 0 H TYR A 41 -6.130 -11.477 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.092 -13.364 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.019 -11.346 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.609 -12.640 -5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.217 -14.644 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.273 -11.006 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.593 -15.229 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.649 -11.591 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.140 -13.065 -4.153 1.00 0.00 H new ATOM 745 N SER A 42 -5.624 -14.447 -4.035 1.00 0.00 N ATOM 746 CA SER A 42 -4.987 -15.646 -4.568 1.00 0.00 C ATOM 747 C SER A 42 -4.463 -16.530 -3.440 1.00 0.00 C ATOM 748 O SER A 42 -4.056 -17.669 -3.667 1.00 0.00 O ATOM 749 CB SER A 42 -3.841 -15.265 -5.507 1.00 0.00 C ATOM 750 OG SER A 42 -4.316 -14.525 -6.618 1.00 0.00 O ATOM 0 H SER A 42 -5.064 -13.599 -4.118 1.00 0.00 H new ATOM 0 HA SER A 42 -5.735 -16.207 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.102 -14.677 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.337 -16.167 -5.855 1.00 0.00 H new ATOM 0 HG SER A 42 -4.538 -13.614 -6.333 1.00 0.00 H new ATOM 756 N VAL A 43 -4.478 -15.997 -2.223 1.00 0.00 N ATOM 757 CA VAL A 43 -4.006 -16.736 -1.058 1.00 0.00 C ATOM 758 C VAL A 43 -4.997 -17.824 -0.660 1.00 0.00 C ATOM 759 O VAL A 43 -6.210 -17.646 -0.770 1.00 0.00 O ATOM 760 CB VAL A 43 -3.775 -15.802 0.144 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.143 -16.564 1.299 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.911 -14.617 -0.260 1.00 0.00 C ATOM 0 H VAL A 43 -4.812 -15.055 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.058 -17.196 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.741 -15.421 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.987 -15.887 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.803 -17.376 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.185 -16.976 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.758 -13.968 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.947 -14.976 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.408 -14.057 -1.052 1.00 0.00 H new ATOM 772 N LYS A 44 -4.472 -18.953 -0.194 1.00 0.00 N ATOM 773 CA LYS A 44 -5.309 -20.071 0.223 1.00 0.00 C ATOM 774 C LYS A 44 -5.387 -20.154 1.745 1.00 0.00 C ATOM 775 O LYS A 44 -6.394 -20.591 2.301 1.00 0.00 O ATOM 776 CB LYS A 44 -4.762 -21.384 -0.343 1.00 0.00 C ATOM 777 CG LYS A 44 -4.842 -21.473 -1.857 1.00 0.00 C ATOM 778 CD LYS A 44 -4.808 -22.915 -2.333 1.00 0.00 C ATOM 779 CE LYS A 44 -5.048 -23.014 -3.832 1.00 0.00 C ATOM 780 NZ LYS A 44 -6.497 -22.939 -4.167 1.00 0.00 N ATOM 0 H LYS A 44 -3.470 -19.117 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.314 -19.906 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.723 -21.498 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.316 -22.216 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.759 -20.996 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.011 -20.923 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.842 -23.357 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.566 -23.492 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.516 -22.209 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.637 -23.952 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.619 -23.010 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.001 -23.722 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.884 -22.033 -3.834 1.00 0.00 H new ATOM 794 N ASP A 45 -4.318 -19.732 2.411 1.00 0.00 N ATOM 795 CA ASP A 45 -4.266 -19.756 3.868 1.00 0.00 C ATOM 796 C ASP A 45 -4.764 -18.438 4.451 1.00 0.00 C ATOM 797 O ASP A 45 -4.069 -17.422 4.402 1.00 0.00 O ATOM 798 CB ASP A 45 -2.839 -20.033 4.344 1.00 0.00 C ATOM 799 CG ASP A 45 -2.773 -20.340 5.827 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.756 -20.895 6.363 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.739 -20.026 6.452 1.00 0.00 O ATOM 0 H ASP A 45 -3.476 -19.369 1.965 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.919 -20.556 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.429 -20.873 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.212 -19.168 4.127 1.00 0.00 H new ATOM 806 N THR A 46 -5.973 -18.459 5.004 1.00 0.00 N ATOM 807 CA THR A 46 -6.565 -17.266 5.595 1.00 0.00 C ATOM 808 C THR A 46 -5.600 -16.598 6.568 1.00 0.00 C ATOM 809 O THR A 46 -5.612 -15.377 6.730 1.00 0.00 O ATOM 810 CB THR A 46 -7.875 -17.596 6.334 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.621 -18.533 7.386 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.908 -18.170 5.375 1.00 0.00 C ATOM 0 H THR A 46 -6.562 -19.291 5.055 1.00 0.00 H new ATOM 0 HA THR A 46 -6.782 -16.581 4.775 1.00 0.00 H new ATOM 0 HB THR A 46 -8.270 -16.673 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.459 -18.736 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.825 -18.395 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.121 -17.443 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.519 -19.084 4.926 1.00 0.00 H new ATOM 820 N HIS A 47 -4.765 -17.405 7.214 1.00 0.00 N ATOM 821 CA HIS A 47 -3.792 -16.891 8.171 1.00 0.00 C ATOM 822 C HIS A 47 -2.769 -15.995 7.478 1.00 0.00 C ATOM 823 O HIS A 47 -2.335 -14.985 8.034 1.00 0.00 O ATOM 824 CB HIS A 47 -3.080 -18.046 8.877 1.00 0.00 C ATOM 825 CG HIS A 47 -3.871 -18.638 10.002 1.00 0.00 C ATOM 826 ND1 HIS A 47 -4.003 -18.028 11.232 1.00 0.00 N ATOM 827 CD2 HIS A 47 -4.574 -19.792 10.079 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.753 -18.782 12.016 1.00 0.00 C ATOM 829 NE2 HIS A 47 -5.112 -19.858 11.340 1.00 0.00 N ATOM 0 H HIS A 47 -4.743 -18.417 7.092 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.327 -16.297 8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.860 -18.826 8.148 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.124 -17.691 9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.690 -20.525 9.294 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.026 -18.557 13.036 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.695 -20.615 11.697 1.00 0.00 H new ATOM 838 N LEU A 48 -2.388 -16.371 6.263 1.00 0.00 N ATOM 839 CA LEU A 48 -1.415 -15.602 5.494 1.00 0.00 C ATOM 840 C LEU A 48 -2.029 -14.301 4.987 1.00 0.00 C ATOM 841 O LEU A 48 -1.480 -13.220 5.199 1.00 0.00 O ATOM 842 CB LEU A 48 -0.899 -16.429 4.315 1.00 0.00 C ATOM 843 CG LEU A 48 0.396 -15.937 3.667 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.794 -16.846 2.514 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.240 -14.502 3.187 1.00 0.00 C ATOM 0 H LEU A 48 -2.737 -17.203 5.788 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.580 -15.357 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.746 -17.453 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.676 -16.460 3.551 1.00 0.00 H new ATOM 0 HG LEU A 48 1.188 -15.965 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.718 -16.481 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.947 -17.859 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.003 -16.850 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.171 -14.168 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.565 -14.449 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.002 -13.859 4.034 1.00 0.00 H new ATOM 857 N ARG A 49 -3.171 -14.413 4.317 1.00 0.00 N ATOM 858 CA ARG A 49 -3.860 -13.245 3.780 1.00 0.00 C ATOM 859 C ARG A 49 -4.380 -12.356 4.906 1.00 0.00 C ATOM 860 O ARG A 49 -4.490 -11.140 4.748 1.00 0.00 O ATOM 861 CB ARG A 49 -5.020 -13.679 2.882 1.00 0.00 C ATOM 862 CG ARG A 49 -5.853 -14.808 3.465 1.00 0.00 C ATOM 863 CD ARG A 49 -7.249 -14.840 2.862 1.00 0.00 C ATOM 864 NE ARG A 49 -7.998 -13.620 3.152 1.00 0.00 N ATOM 865 CZ ARG A 49 -8.665 -13.418 4.283 1.00 0.00 C ATOM 866 NH1 ARG A 49 -8.675 -14.351 5.226 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.322 -12.282 4.474 1.00 0.00 N ATOM 0 H ARG A 49 -3.639 -15.300 4.133 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.146 -12.673 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.666 -12.821 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.623 -13.993 1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.355 -15.760 3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.925 -14.688 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.175 -14.972 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.793 -15.701 3.252 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.010 -12.883 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.170 -15.226 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.188 -14.194 6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.316 -11.562 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.834 -12.129 5.343 1.00 0.00 H new ATOM 881 N GLN A 50 -4.698 -12.971 6.040 1.00 0.00 N ATOM 882 CA GLN A 50 -5.207 -12.235 7.191 1.00 0.00 C ATOM 883 C GLN A 50 -4.163 -11.253 7.715 1.00 0.00 C ATOM 884 O GLN A 50 -4.499 -10.171 8.195 1.00 0.00 O ATOM 885 CB GLN A 50 -5.616 -13.203 8.302 1.00 0.00 C ATOM 886 CG GLN A 50 -5.781 -12.537 9.659 1.00 0.00 C ATOM 887 CD GLN A 50 -7.067 -11.742 9.767 1.00 0.00 C ATOM 888 OE1 GLN A 50 -8.035 -12.005 9.051 1.00 0.00 O ATOM 889 NE2 GLN A 50 -7.086 -10.764 10.664 1.00 0.00 N ATOM 0 H GLN A 50 -4.612 -13.977 6.187 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.082 -11.670 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.554 -13.684 8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.866 -13.990 8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.763 -13.299 10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.933 -11.876 9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.262 -10.581 11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.925 -10.196 10.781 1.00 0.00 H new ATOM 898 N LYS A 51 -2.895 -11.638 7.619 1.00 0.00 N ATOM 899 CA LYS A 51 -1.801 -10.793 8.081 1.00 0.00 C ATOM 900 C LYS A 51 -1.633 -9.577 7.176 1.00 0.00 C ATOM 901 O LYS A 51 -1.353 -8.475 7.648 1.00 0.00 O ATOM 902 CB LYS A 51 -0.497 -11.592 8.127 1.00 0.00 C ATOM 903 CG LYS A 51 0.702 -10.773 8.573 1.00 0.00 C ATOM 904 CD LYS A 51 0.829 -10.748 10.087 1.00 0.00 C ATOM 905 CE LYS A 51 1.622 -11.940 10.600 1.00 0.00 C ATOM 906 NZ LYS A 51 1.987 -11.787 12.036 1.00 0.00 N ATOM 0 H LYS A 51 -2.600 -12.531 7.225 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.043 -10.445 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.622 -12.437 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.298 -12.004 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.610 -11.190 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.607 -9.754 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.318 -9.824 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.164 -10.750 10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.036 -12.850 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.528 -12.056 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.526 -12.620 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.568 -10.933 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.122 -11.701 12.607 1.00 0.00 H new ATOM 920 N TRP A 52 -1.807 -9.784 5.876 1.00 0.00 N ATOM 921 CA TRP A 52 -1.677 -8.703 4.906 1.00 0.00 C ATOM 922 C TRP A 52 -2.808 -7.693 5.061 1.00 0.00 C ATOM 923 O TRP A 52 -2.613 -6.495 4.856 1.00 0.00 O ATOM 924 CB TRP A 52 -1.669 -9.265 3.483 1.00 0.00 C ATOM 925 CG TRP A 52 -0.405 -9.994 3.139 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.274 -11.327 2.876 1.00 0.00 C ATOM 927 CD2 TRP A 52 0.905 -9.428 3.022 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.040 -11.625 2.603 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.782 -10.477 2.685 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.421 -8.138 3.167 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.146 -10.273 2.493 1.00 0.00 C ATOM 932 CZ3 TRP A 52 2.775 -7.938 2.976 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.625 -9.000 2.641 1.00 0.00 C ATOM 0 H TRP A 52 -2.038 -10.690 5.469 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.732 -8.193 5.093 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.515 -9.942 3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.812 -8.448 2.776 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.083 -12.042 2.882 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.403 -12.551 2.376 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.774 -7.312 3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.803 -11.091 2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.185 -6.945 3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.678 -8.810 2.497 1.00 0.00 H new ATOM 944 N GLN A 53 -3.989 -8.183 5.423 1.00 0.00 N ATOM 945 CA GLN A 53 -5.151 -7.321 5.604 1.00 0.00 C ATOM 946 C GLN A 53 -4.854 -6.213 6.609 1.00 0.00 C ATOM 947 O GLN A 53 -5.353 -5.096 6.478 1.00 0.00 O ATOM 948 CB GLN A 53 -6.353 -8.143 6.072 1.00 0.00 C ATOM 949 CG GLN A 53 -7.172 -8.726 4.933 1.00 0.00 C ATOM 950 CD GLN A 53 -7.985 -7.676 4.201 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.879 -7.529 2.983 1.00 0.00 O ATOM 952 NE2 GLN A 53 -8.804 -6.939 4.942 1.00 0.00 N ATOM 0 H GLN A 53 -4.167 -9.172 5.597 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.386 -6.862 4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.002 -8.955 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.997 -7.513 6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.505 -9.221 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.843 -9.490 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.860 -7.095 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.377 -6.217 4.505 1.00 0.00 H new ATOM 961 N GLN A 54 -4.040 -6.531 7.610 1.00 0.00 N ATOM 962 CA GLN A 54 -3.679 -5.561 8.638 1.00 0.00 C ATOM 963 C GLN A 54 -2.804 -4.455 8.059 1.00 0.00 C ATOM 964 O GLN A 54 -2.968 -3.281 8.391 1.00 0.00 O ATOM 965 CB GLN A 54 -2.950 -6.255 9.790 1.00 0.00 C ATOM 966 CG GLN A 54 -2.428 -5.294 10.846 1.00 0.00 C ATOM 967 CD GLN A 54 -1.211 -5.831 11.573 1.00 0.00 C ATOM 968 OE1 GLN A 54 -0.407 -6.567 11.001 1.00 0.00 O ATOM 969 NE2 GLN A 54 -1.069 -5.464 12.841 1.00 0.00 N ATOM 0 H GLN A 54 -3.618 -7.452 7.731 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.597 -5.112 9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.628 -6.967 10.262 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.115 -6.828 9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.175 -4.344 10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.218 -5.091 11.569 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.760 -4.852 13.275 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.269 -5.794 13.381 1.00 0.00 H new ATOM 978 N VAL A 55 -1.872 -4.837 7.191 1.00 0.00 N ATOM 979 CA VAL A 55 -0.971 -3.877 6.565 1.00 0.00 C ATOM 980 C VAL A 55 -1.694 -3.055 5.504 1.00 0.00 C ATOM 981 O VAL A 55 -1.492 -1.846 5.397 1.00 0.00 O ATOM 982 CB VAL A 55 0.237 -4.581 5.918 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.157 -3.565 5.258 1.00 0.00 C ATOM 984 CG2 VAL A 55 0.991 -5.403 6.952 1.00 0.00 C ATOM 0 H VAL A 55 -1.722 -5.805 6.906 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.617 -3.214 7.354 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.130 -5.258 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.004 -4.081 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.608 -3.024 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.518 -2.861 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.841 -5.893 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.347 -4.749 7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.326 -6.157 7.373 1.00 0.00 H new ATOM 994 N TRP A 56 -2.538 -3.719 4.722 1.00 0.00 N ATOM 995 CA TRP A 56 -3.292 -3.049 3.669 1.00 0.00 C ATOM 996 C TRP A 56 -4.039 -1.840 4.220 1.00 0.00 C ATOM 997 O TRP A 56 -4.253 -0.857 3.511 1.00 0.00 O ATOM 998 CB TRP A 56 -4.280 -4.023 3.023 1.00 0.00 C ATOM 999 CG TRP A 56 -5.044 -3.423 1.882 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.746 -3.525 0.553 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -6.231 -2.627 1.969 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.677 -2.840 -0.191 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.599 -2.282 0.654 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -7.020 -2.175 3.030 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.720 -1.504 0.375 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -8.132 -1.404 2.751 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -8.474 -1.075 1.433 1.00 0.00 C ATOM 0 H TRP A 56 -2.717 -4.720 4.797 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.586 -2.703 2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.736 -4.898 2.667 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.984 -4.371 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.903 -4.064 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.681 -2.760 -1.208 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.765 -2.424 4.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.985 -1.248 -0.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.749 -1.049 3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -9.350 -0.471 1.248 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.433 -1.919 5.487 1.00 0.00 N ATOM 1019 CA GLN A 57 -5.156 -0.829 6.132 1.00 0.00 C ATOM 1020 C GLN A 57 -4.290 0.423 6.219 1.00 0.00 C ATOM 1021 O GLN A 57 -4.715 1.511 5.832 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.610 -1.248 7.531 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.704 -2.304 7.525 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.481 -2.346 8.827 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.601 -1.339 9.525 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.013 -3.516 9.160 1.00 0.00 N ATOM 0 H GLN A 57 -4.264 -2.726 6.087 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.033 -0.600 5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.751 -1.630 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.968 -0.369 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.391 -2.105 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.259 -3.282 7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.888 -4.325 8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.546 -3.606 10.025 1.00 0.00 H new ATOM 1035 N GLU A 58 -3.073 0.261 6.730 1.00 0.00 N ATOM 1036 CA GLU A 58 -2.148 1.379 6.868 1.00 0.00 C ATOM 1037 C GLU A 58 -1.680 1.871 5.502 1.00 0.00 C ATOM 1038 O GLU A 58 -1.458 3.065 5.303 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.942 0.971 7.716 1.00 0.00 C ATOM 1040 CG GLU A 58 0.210 0.405 6.903 1.00 0.00 C ATOM 1041 CD GLU A 58 1.451 0.163 7.739 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.704 0.958 8.669 1.00 0.00 O ATOM 1043 OE2 GLU A 58 2.170 -0.821 7.465 1.00 0.00 O ATOM 0 H GLU A 58 -2.706 -0.633 7.055 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.675 2.193 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.590 1.839 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.258 0.228 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.102 -0.532 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.451 1.094 6.093 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.532 0.941 4.564 1.00 0.00 N ATOM 1051 CA ILE A 59 -1.091 1.279 3.217 1.00 0.00 C ATOM 1052 C ILE A 59 -2.006 2.321 2.584 1.00 0.00 C ATOM 1053 O ILE A 59 -1.548 3.218 1.877 1.00 0.00 O ATOM 1054 CB ILE A 59 -1.046 0.034 2.310 1.00 0.00 C ATOM 1055 CG1 ILE A 59 -0.015 -0.968 2.835 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.724 0.433 0.878 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.412 -0.600 2.495 1.00 0.00 C ATOM 0 H ILE A 59 -1.711 -0.052 4.713 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.085 1.689 3.308 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.027 -0.442 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.114 -1.045 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.236 -1.953 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.696 -0.457 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.491 1.114 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.246 0.929 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.088 -1.354 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.527 -0.551 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.651 0.371 2.929 1.00 0.00 H new ATOM 1069 N ASN A 60 -3.304 2.198 2.845 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.285 3.131 2.302 1.00 0.00 C ATOM 1071 C ASN A 60 -4.205 4.479 3.012 1.00 0.00 C ATOM 1072 O ASN A 60 -4.281 5.532 2.378 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.696 2.555 2.435 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.766 3.628 2.387 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -7.441 3.802 1.372 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.924 4.355 3.487 1.00 0.00 N ATOM 0 H ASN A 60 -3.701 1.462 3.429 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.060 3.282 1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.869 1.837 1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.775 2.009 3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.628 5.093 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.342 4.175 4.305 1.00 0.00 H new ATOM 1083 N VAL A 61 -4.050 4.438 4.331 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.957 5.656 5.128 1.00 0.00 C ATOM 1085 C VAL A 61 -2.714 6.459 4.762 1.00 0.00 C ATOM 1086 O VAL A 61 -2.766 7.683 4.647 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.926 5.339 6.635 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.794 6.619 7.447 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -5.170 4.565 7.043 1.00 0.00 C ATOM 0 H VAL A 61 -3.986 3.575 4.871 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.845 6.248 4.907 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.056 4.716 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.774 6.376 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.870 7.129 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.643 7.270 7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.131 4.350 8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.057 5.160 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.215 3.629 6.486 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.597 5.761 4.581 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.340 6.410 4.229 1.00 0.00 C ATOM 1101 C GLU A 62 -0.522 7.329 3.024 1.00 0.00 C ATOM 1102 O GLU A 62 -0.064 8.471 3.027 1.00 0.00 O ATOM 1103 CB GLU A 62 0.734 5.362 3.927 1.00 0.00 C ATOM 1104 CG GLU A 62 2.060 5.959 3.488 1.00 0.00 C ATOM 1105 CD GLU A 62 3.186 4.943 3.489 1.00 0.00 C ATOM 1106 OE1 GLU A 62 3.115 3.978 2.700 1.00 0.00 O ATOM 1107 OE2 GLU A 62 4.138 5.114 4.278 1.00 0.00 O ATOM 0 H GLU A 62 -1.537 4.747 4.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.021 7.012 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.896 4.753 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.369 4.695 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.953 6.376 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.320 6.784 4.151 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.192 6.821 1.995 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.436 7.596 0.785 1.00 0.00 C ATOM 1116 C ALA A 63 -2.287 8.826 1.082 1.00 0.00 C ATOM 1117 O ALA A 63 -2.154 9.859 0.426 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.108 6.730 -0.270 1.00 0.00 C ATOM 0 H ALA A 63 -1.575 5.876 1.975 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.474 7.936 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.284 7.322 -1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.463 5.886 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.059 6.361 0.114 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.162 8.708 2.075 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.035 9.811 2.461 1.00 0.00 C ATOM 1126 C LYS A 64 -3.230 10.957 3.064 1.00 0.00 C ATOM 1127 O LYS A 64 -3.508 12.127 2.802 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.086 9.329 3.463 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.397 10.093 3.385 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.339 11.382 4.186 1.00 0.00 C ATOM 1131 CE LYS A 64 -6.754 11.159 5.633 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.226 10.977 5.766 1.00 0.00 N ATOM 0 H LYS A 64 -3.286 7.859 2.627 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.536 10.176 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.281 8.271 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.682 9.419 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.625 10.321 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.207 9.467 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.327 11.786 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.993 12.125 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.242 10.280 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.437 12.009 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.495 11.048 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.718 11.715 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.494 10.041 5.401 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.232 10.613 3.871 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.387 11.614 4.510 1.00 0.00 C ATOM 1148 C GLN A 65 -0.760 12.540 3.473 1.00 0.00 C ATOM 1149 O GLN A 65 -0.809 13.763 3.606 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.291 10.937 5.335 1.00 0.00 C ATOM 1151 CG GLN A 65 -0.781 10.391 6.667 1.00 0.00 C ATOM 1152 CD GLN A 65 0.328 10.274 7.694 1.00 0.00 C ATOM 1153 OE1 GLN A 65 0.498 11.150 8.542 1.00 0.00 O ATOM 1154 NE2 GLN A 65 1.089 9.189 7.622 1.00 0.00 N ATOM 0 H GLN A 65 -1.989 9.649 4.098 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.014 12.211 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.138 10.121 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.509 11.654 5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.564 11.042 7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.230 9.410 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.912 8.488 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.851 9.056 8.287 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.169 11.948 2.439 1.00 0.00 N ATOM 1164 CA VAL A 66 0.467 12.719 1.378 1.00 0.00 C ATOM 1165 C VAL A 66 -0.487 13.764 0.810 1.00 0.00 C ATOM 1166 O VAL A 66 -0.073 14.862 0.438 1.00 0.00 O ATOM 1167 CB VAL A 66 0.952 11.808 0.235 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.385 12.638 -0.963 1.00 0.00 C ATOM 1169 CG2 VAL A 66 2.085 10.913 0.712 1.00 0.00 C ATOM 0 H VAL A 66 -0.118 10.937 2.314 1.00 0.00 H new ATOM 0 HA VAL A 66 1.327 13.220 1.823 1.00 0.00 H new ATOM 0 HB VAL A 66 0.123 11.172 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.724 11.977 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.543 13.232 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.199 13.302 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.415 10.276 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.918 11.529 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.735 10.291 1.536 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.768 13.416 0.747 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.783 14.324 0.227 1.00 0.00 C ATOM 1181 C LYS A 67 -2.732 15.668 0.946 1.00 0.00 C ATOM 1182 O LYS A 67 -3.007 16.711 0.353 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.175 13.705 0.378 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.264 14.475 -0.349 1.00 0.00 C ATOM 1185 CD LYS A 67 -5.322 14.104 -1.821 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.598 14.613 -2.475 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.760 13.729 -2.186 1.00 0.00 N ATOM 0 H LYS A 67 -2.128 12.511 1.050 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.578 14.491 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.152 12.682 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.426 13.649 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.228 14.271 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.082 15.545 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.457 14.521 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.265 13.021 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.811 15.621 -2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.452 14.680 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.610 14.110 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.568 12.773 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.916 13.685 -1.159 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.376 15.635 2.226 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.286 16.852 3.025 1.00 0.00 C ATOM 1203 C ASP A 68 -1.007 17.619 2.705 1.00 0.00 C ATOM 1204 O ASP A 68 -1.055 18.773 2.278 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.333 16.512 4.516 1.00 0.00 C ATOM 1206 CG ASP A 68 -2.758 17.693 5.366 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -1.934 18.611 5.562 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.916 17.701 5.834 1.00 0.00 O ATOM 0 H ASP A 68 -2.145 14.780 2.732 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.138 17.485 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.025 15.685 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.349 16.171 4.839 1.00 0.00 H new ATOM 1213 N ILE A 69 0.133 16.971 2.915 1.00 0.00 N ATOM 1214 CA ILE A 69 1.425 17.593 2.649 1.00 0.00 C ATOM 1215 C ILE A 69 1.487 18.144 1.229 1.00 0.00 C ATOM 1216 O ILE A 69 2.130 19.162 0.975 1.00 0.00 O ATOM 1217 CB ILE A 69 2.582 16.596 2.852 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.812 15.782 1.577 1.00 0.00 C ATOM 1219 CG2 ILE A 69 2.289 15.677 4.029 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.884 14.725 1.721 1.00 0.00 C ATOM 0 H ILE A 69 0.189 16.016 3.268 1.00 0.00 H new ATOM 0 HA ILE A 69 1.534 18.413 3.359 1.00 0.00 H new ATOM 0 HB ILE A 69 3.491 17.156 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.877 15.303 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.087 16.459 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.115 14.978 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.170 16.272 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.371 15.121 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.993 14.187 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.830 15.200 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.602 14.025 2.508 1.00 0.00 H new ATOM 1232 N MET A 70 0.812 17.466 0.306 1.00 0.00 N ATOM 1233 CA MET A 70 0.788 17.890 -1.089 1.00 0.00 C ATOM 1234 C MET A 70 -0.236 18.999 -1.302 1.00 0.00 C ATOM 1235 O MET A 70 -1.323 18.975 -0.724 1.00 0.00 O ATOM 1236 CB MET A 70 0.469 16.703 -2.000 1.00 0.00 C ATOM 1237 CG MET A 70 -1.020 16.462 -2.185 1.00 0.00 C ATOM 1238 SD MET A 70 -1.712 17.411 -3.553 1.00 0.00 S ATOM 1239 CE MET A 70 -3.199 16.473 -3.898 1.00 0.00 C ATOM 0 H MET A 70 0.275 16.621 0.499 1.00 0.00 H new ATOM 0 HA MET A 70 1.775 18.277 -1.342 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.925 16.871 -2.975 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.925 15.804 -1.585 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.193 15.400 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.543 16.723 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.615 16.789 -4.855 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.958 15.411 -3.940 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.931 16.647 -3.109 1.00 0.00 H new