USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 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 67 LYS NZ :NH3+ -159:sc= -0.0779 (180deg=-0.436) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.31! K(o=-2.3!,f=-0.0057) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 172:sc= -11.7! (180deg=-12.8!) 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= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : A 35 GLN : amide:sc= -0.547 K(o=-0.55,f=0) USER MOD Single : A 36 MET CE :methyl -151:sc= -0.314 (180deg=-1.33!) USER MOD Single : A 37 ASN : amide:sc= -0.213 K(o=-0.21,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0273 (180deg=-0.272) 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 -51:sc= 0.444 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= -0.0092 X(o=-0.0092,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.95 K(o=-0.95,f=-3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.37) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.626 -10.219 -4.229 1.00 0.00 N ATOM 102 CA LEU A 3 4.216 -9.157 -3.317 1.00 0.00 C ATOM 103 C LEU A 3 5.273 -8.059 -3.249 1.00 0.00 C ATOM 104 O LEU A 3 4.983 -6.930 -2.855 1.00 0.00 O ATOM 105 CB LEU A 3 3.965 -9.726 -1.919 1.00 0.00 C ATOM 106 CG LEU A 3 2.538 -10.192 -1.631 1.00 0.00 C ATOM 107 CD1 LEU A 3 2.448 -10.812 -0.245 1.00 0.00 C ATOM 108 CD2 LEU A 3 1.561 -9.032 -1.761 1.00 0.00 C ATOM 0 HA LEU A 3 3.291 -8.723 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.639 -10.569 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.233 -8.965 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 3 2.270 -10.952 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.425 -11.138 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.118 -11.669 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.736 -10.074 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.550 -9.383 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.828 -8.250 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.604 -8.632 -2.774 1.00 0.00 H new ATOM 120 N GLN A 4 6.498 -8.399 -3.638 1.00 0.00 N ATOM 121 CA GLN A 4 7.597 -7.441 -3.622 1.00 0.00 C ATOM 122 C GLN A 4 7.371 -6.336 -4.649 1.00 0.00 C ATOM 123 O GLN A 4 7.333 -5.155 -4.305 1.00 0.00 O ATOM 124 CB GLN A 4 8.923 -8.150 -3.903 1.00 0.00 C ATOM 125 CG GLN A 4 10.115 -7.507 -3.212 1.00 0.00 C ATOM 126 CD GLN A 4 10.437 -8.155 -1.880 1.00 0.00 C ATOM 127 OE1 GLN A 4 11.560 -8.607 -1.652 1.00 0.00 O ATOM 128 NE2 GLN A 4 9.452 -8.204 -0.991 1.00 0.00 N ATOM 0 H GLN A 4 6.754 -9.330 -3.968 1.00 0.00 H new ATOM 0 HA GLN A 4 7.637 -6.989 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.845 -9.189 -3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.099 -8.160 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.986 -7.572 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.912 -6.447 -3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.537 -7.817 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.610 -8.628 -0.077 1.00 0.00 H new ATOM 137 N MET A 5 7.220 -6.728 -5.910 1.00 0.00 N ATOM 138 CA MET A 5 6.997 -5.770 -6.986 1.00 0.00 C ATOM 139 C MET A 5 5.835 -4.840 -6.653 1.00 0.00 C ATOM 140 O MET A 5 5.667 -3.793 -7.280 1.00 0.00 O ATOM 141 CB MET A 5 6.719 -6.503 -8.300 1.00 0.00 C ATOM 142 CG MET A 5 6.660 -5.582 -9.508 1.00 0.00 C ATOM 143 SD MET A 5 5.779 -6.317 -10.900 1.00 0.00 S ATOM 144 CE MET A 5 6.983 -7.517 -11.466 1.00 0.00 C ATOM 0 H MET A 5 7.248 -7.702 -6.211 1.00 0.00 H new ATOM 0 HA MET A 5 7.900 -5.169 -7.097 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.496 -7.251 -8.461 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.773 -7.039 -8.215 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.171 -4.649 -9.225 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.674 -5.330 -9.817 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.584 -8.055 -12.326 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.901 -7.004 -11.753 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.198 -8.223 -10.664 1.00 0.00 H new ATOM 154 N ILE A 6 5.036 -5.228 -5.665 1.00 0.00 N ATOM 155 CA ILE A 6 3.891 -4.428 -5.250 1.00 0.00 C ATOM 156 C ILE A 6 4.270 -3.467 -4.128 1.00 0.00 C ATOM 157 O ILE A 6 4.253 -2.249 -4.308 1.00 0.00 O ATOM 158 CB ILE A 6 2.725 -5.316 -4.777 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.709 -6.632 -5.557 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.402 -4.583 -4.936 1.00 0.00 C ATOM 161 CD1 ILE A 6 3.116 -6.481 -7.006 1.00 0.00 C ATOM 0 H ILE A 6 5.161 -6.092 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 6 3.572 -3.858 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 6 2.866 -5.543 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.380 -7.341 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.707 -7.059 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.588 -5.224 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.418 -3.671 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.251 -4.328 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.082 -7.454 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.431 -5.797 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.129 -6.083 -7.060 1.00 0.00 H new ATOM 173 N VAL A 7 4.613 -4.022 -2.970 1.00 0.00 N ATOM 174 CA VAL A 7 4.999 -3.214 -1.820 1.00 0.00 C ATOM 175 C VAL A 7 6.183 -2.314 -2.153 1.00 0.00 C ATOM 176 O VAL A 7 6.308 -1.213 -1.618 1.00 0.00 O ATOM 177 CB VAL A 7 5.364 -4.097 -0.611 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.120 -4.754 -0.034 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.394 -5.144 -1.009 1.00 0.00 C ATOM 0 H VAL A 7 4.631 -5.028 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 7 4.138 -2.597 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 7 5.802 -3.464 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.398 -5.373 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.419 -3.985 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.650 -5.376 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.641 -5.759 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.985 -5.775 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.295 -4.649 -1.371 1.00 0.00 H new ATOM 189 N GLU A 8 7.050 -2.790 -3.042 1.00 0.00 N ATOM 190 CA GLU A 8 8.225 -2.027 -3.446 1.00 0.00 C ATOM 191 C GLU A 8 7.819 -0.714 -4.110 1.00 0.00 C ATOM 192 O GLU A 8 8.465 0.316 -3.919 1.00 0.00 O ATOM 193 CB GLU A 8 9.090 -2.849 -4.404 1.00 0.00 C ATOM 194 CG GLU A 8 9.842 -3.981 -3.725 1.00 0.00 C ATOM 195 CD GLU A 8 10.882 -3.483 -2.740 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.538 -3.306 -1.553 1.00 0.00 O ATOM 197 OE2 GLU A 8 12.040 -3.271 -3.157 1.00 0.00 O ATOM 0 H GLU A 8 6.961 -3.699 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 8 8.803 -1.798 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.456 -3.264 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.807 -2.188 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.132 -4.623 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.329 -4.594 -4.483 1.00 0.00 H new ATOM 204 N ASN A 9 6.745 -0.760 -4.892 1.00 0.00 N ATOM 205 CA ASN A 9 6.253 0.424 -5.585 1.00 0.00 C ATOM 206 C ASN A 9 5.952 1.547 -4.597 1.00 0.00 C ATOM 207 O ASN A 9 6.131 2.726 -4.907 1.00 0.00 O ATOM 208 CB ASN A 9 4.996 0.085 -6.388 1.00 0.00 C ATOM 209 CG ASN A 9 5.315 -0.373 -7.798 1.00 0.00 C ATOM 210 OD1 ASN A 9 6.200 0.176 -8.455 1.00 0.00 O ATOM 211 ND2 ASN A 9 4.595 -1.384 -8.269 1.00 0.00 N ATOM 0 H ASN A 9 6.199 -1.605 -5.061 1.00 0.00 H new ATOM 0 HA ASN A 9 7.031 0.764 -6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.439 -0.697 -5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.349 0.961 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.765 -1.736 -9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.871 -1.809 -7.689 1.00 0.00 H new ATOM 218 N VAL A 10 5.495 1.174 -3.406 1.00 0.00 N ATOM 219 CA VAL A 10 5.170 2.148 -2.372 1.00 0.00 C ATOM 220 C VAL A 10 6.384 3.002 -2.021 1.00 0.00 C ATOM 221 O VAL A 10 6.282 4.222 -1.891 1.00 0.00 O ATOM 222 CB VAL A 10 4.654 1.460 -1.094 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.440 2.481 0.013 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.371 0.696 -1.382 1.00 0.00 C ATOM 0 H VAL A 10 5.341 0.203 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 10 4.384 2.786 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 10 5.406 0.747 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.075 1.976 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.384 2.979 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.707 3.220 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.020 0.216 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.610 1.387 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.562 -0.063 -2.140 1.00 0.00 H new ATOM 234 N LYS A 11 7.533 2.353 -1.870 1.00 0.00 N ATOM 235 CA LYS A 11 8.769 3.051 -1.536 1.00 0.00 C ATOM 236 C LYS A 11 9.079 4.131 -2.567 1.00 0.00 C ATOM 237 O LYS A 11 9.617 5.188 -2.233 1.00 0.00 O ATOM 238 CB LYS A 11 9.932 2.061 -1.453 1.00 0.00 C ATOM 239 CG LYS A 11 9.659 0.876 -0.543 1.00 0.00 C ATOM 240 CD LYS A 11 9.356 1.321 0.877 1.00 0.00 C ATOM 241 CE LYS A 11 10.605 1.833 1.579 1.00 0.00 C ATOM 242 NZ LYS A 11 11.418 0.720 2.144 1.00 0.00 N ATOM 0 H LYS A 11 7.634 1.343 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 11 8.637 3.528 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.158 1.695 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.819 2.585 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.818 0.303 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.523 0.212 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.599 2.105 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.937 0.486 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.210 2.403 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.318 2.516 2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.260 1.109 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.849 0.191 2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.713 0.082 1.378 1.00 0.00 H new ATOM 256 N LEU A 12 8.736 3.861 -3.822 1.00 0.00 N ATOM 257 CA LEU A 12 8.976 4.811 -4.903 1.00 0.00 C ATOM 258 C LEU A 12 8.042 6.011 -4.791 1.00 0.00 C ATOM 259 O LEU A 12 8.434 7.143 -5.070 1.00 0.00 O ATOM 260 CB LEU A 12 8.789 4.128 -6.259 1.00 0.00 C ATOM 261 CG LEU A 12 9.216 4.939 -7.483 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.164 5.982 -7.825 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.565 5.599 -7.241 1.00 0.00 C ATOM 0 H LEU A 12 8.291 2.992 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 12 10.003 5.166 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.350 3.194 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.737 3.867 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 12 9.313 4.260 -8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.485 6.550 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.218 5.487 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.034 6.659 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.853 6.172 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.495 6.266 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.315 4.833 -7.045 1.00 0.00 H new ATOM 275 N ALA A 13 6.805 5.755 -4.379 1.00 0.00 N ATOM 276 CA ALA A 13 5.816 6.814 -4.226 1.00 0.00 C ATOM 277 C ALA A 13 6.087 7.641 -2.974 1.00 0.00 C ATOM 278 O ALA A 13 5.936 8.863 -2.981 1.00 0.00 O ATOM 279 CB ALA A 13 4.414 6.225 -4.178 1.00 0.00 C ATOM 0 H ALA A 13 6.464 4.823 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 13 5.891 7.474 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.686 7.028 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.215 5.684 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.336 5.541 -3.333 1.00 0.00 H new ATOM 285 N ARG A 14 6.486 6.968 -1.900 1.00 0.00 N ATOM 286 CA ARG A 14 6.776 7.641 -0.640 1.00 0.00 C ATOM 287 C ARG A 14 7.914 8.643 -0.808 1.00 0.00 C ATOM 288 O ARG A 14 7.945 9.678 -0.143 1.00 0.00 O ATOM 289 CB ARG A 14 7.138 6.617 0.438 1.00 0.00 C ATOM 290 CG ARG A 14 6.885 7.108 1.854 1.00 0.00 C ATOM 291 CD ARG A 14 7.661 6.290 2.874 1.00 0.00 C ATOM 292 NE ARG A 14 9.013 6.805 3.075 1.00 0.00 N ATOM 293 CZ ARG A 14 9.278 7.961 3.673 1.00 0.00 C ATOM 294 NH1 ARG A 14 8.290 8.718 4.128 1.00 0.00 N ATOM 295 NH2 ARG A 14 10.535 8.362 3.818 1.00 0.00 N ATOM 0 H ARG A 14 6.616 5.957 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 14 5.881 8.182 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.563 5.707 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.191 6.352 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.171 8.157 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.819 7.051 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.127 6.294 3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.714 5.253 2.542 1.00 0.00 H new ATOM 0 HE ARG A 14 9.797 6.246 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.323 8.413 4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.497 9.605 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.299 7.782 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.737 9.250 4.277 1.00 0.00 H new ATOM 309 N GLU A 15 8.846 8.328 -1.701 1.00 0.00 N ATOM 310 CA GLU A 15 9.986 9.201 -1.955 1.00 0.00 C ATOM 311 C GLU A 15 9.563 10.429 -2.756 1.00 0.00 C ATOM 312 O GLU A 15 9.981 11.549 -2.462 1.00 0.00 O ATOM 313 CB GLU A 15 11.082 8.441 -2.706 1.00 0.00 C ATOM 314 CG GLU A 15 12.426 9.149 -2.702 1.00 0.00 C ATOM 315 CD GLU A 15 13.583 8.205 -2.967 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.480 7.390 -3.907 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.591 8.282 -2.234 1.00 0.00 O ATOM 0 H GLU A 15 8.834 7.475 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 15 10.378 9.533 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.200 7.454 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.765 8.288 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.421 9.934 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.573 9.636 -1.738 1.00 0.00 H new ATOM 324 N TYR A 16 8.733 10.210 -3.769 1.00 0.00 N ATOM 325 CA TYR A 16 8.255 11.298 -4.614 1.00 0.00 C ATOM 326 C TYR A 16 7.507 12.340 -3.790 1.00 0.00 C ATOM 327 O TYR A 16 7.659 13.543 -4.003 1.00 0.00 O ATOM 328 CB TYR A 16 7.345 10.753 -5.716 1.00 0.00 C ATOM 329 CG TYR A 16 8.095 10.084 -6.846 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.188 9.264 -6.591 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.711 10.271 -8.168 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.876 8.651 -7.620 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.393 9.661 -9.203 1.00 0.00 C ATOM 334 CZ TYR A 16 9.475 8.853 -8.924 1.00 0.00 C ATOM 335 OH TYR A 16 10.158 8.243 -9.952 1.00 0.00 O ATOM 0 H TYR A 16 8.377 9.289 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 16 9.121 11.777 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.649 10.037 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.749 11.571 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.505 9.103 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.865 10.904 -8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.723 8.017 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.080 9.816 -10.225 1.00 0.00 H new ATOM 0 HH TYR A 16 9.748 8.487 -10.808 1.00 0.00 H new ATOM 345 N ALA A 17 6.697 11.869 -2.847 1.00 0.00 N ATOM 346 CA ALA A 17 5.926 12.759 -1.988 1.00 0.00 C ATOM 347 C ALA A 17 6.831 13.768 -1.289 1.00 0.00 C ATOM 348 O ALA A 17 6.458 14.927 -1.102 1.00 0.00 O ATOM 349 CB ALA A 17 5.140 11.954 -0.964 1.00 0.00 C ATOM 0 H ALA A 17 6.558 10.876 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 17 5.226 13.312 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.569 12.631 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.458 11.278 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.829 11.375 -0.349 1.00 0.00 H new ATOM 355 N LEU A 18 8.021 13.321 -0.905 1.00 0.00 N ATOM 356 CA LEU A 18 8.980 14.184 -0.225 1.00 0.00 C ATOM 357 C LEU A 18 9.619 15.165 -1.203 1.00 0.00 C ATOM 358 O LEU A 18 9.626 16.375 -0.971 1.00 0.00 O ATOM 359 CB LEU A 18 10.064 13.343 0.452 1.00 0.00 C ATOM 360 CG LEU A 18 9.589 12.062 1.138 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.726 11.420 1.916 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.410 12.354 2.055 1.00 0.00 C ATOM 0 H LEU A 18 8.345 12.365 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 18 8.444 14.753 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.809 13.075 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.567 13.964 1.194 1.00 0.00 H new ATOM 0 HG LEU A 18 9.261 11.361 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.369 10.510 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.540 11.175 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.085 12.115 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.085 11.431 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.711 13.073 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.588 12.768 1.471 1.00 0.00 H new ATOM 374 N LEU A 19 10.152 14.637 -2.299 1.00 0.00 N ATOM 375 CA LEU A 19 10.791 15.465 -3.316 1.00 0.00 C ATOM 376 C LEU A 19 9.889 16.629 -3.715 1.00 0.00 C ATOM 377 O LEU A 19 10.365 17.726 -4.005 1.00 0.00 O ATOM 378 CB LEU A 19 11.133 14.624 -4.546 1.00 0.00 C ATOM 379 CG LEU A 19 11.916 13.337 -4.283 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.593 12.855 -5.557 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.941 13.552 -3.180 1.00 0.00 C ATOM 0 H LEU A 19 10.154 13.638 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 19 11.711 15.870 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.204 14.363 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.709 15.242 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 19 11.216 12.569 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.146 11.938 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.838 12.660 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.281 13.621 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.489 12.626 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.638 14.335 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.432 13.850 -2.263 1.00 0.00 H new ATOM 393 N GLY A 20 8.583 16.382 -3.727 1.00 0.00 N ATOM 394 CA GLY A 20 7.635 17.419 -4.090 1.00 0.00 C ATOM 395 C GLY A 20 6.560 16.917 -5.034 1.00 0.00 C ATOM 396 O GLY A 20 5.543 17.579 -5.235 1.00 0.00 O ATOM 0 H GLY A 20 8.164 15.482 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.167 17.811 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.168 18.247 -4.558 1.00 0.00 H new ATOM 400 N ASN A 21 6.786 15.743 -5.615 1.00 0.00 N ATOM 401 CA ASN A 21 5.829 15.154 -6.545 1.00 0.00 C ATOM 402 C ASN A 21 4.891 14.192 -5.823 1.00 0.00 C ATOM 403 O ASN A 21 5.126 12.984 -5.793 1.00 0.00 O ATOM 404 CB ASN A 21 6.564 14.420 -7.668 1.00 0.00 C ATOM 405 CG ASN A 21 5.759 14.374 -8.952 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.317 14.269 -10.045 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.439 14.453 -8.826 1.00 0.00 N ATOM 0 H ASN A 21 7.623 15.181 -5.458 1.00 0.00 H new ATOM 0 HA ASN A 21 5.234 15.960 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.517 14.913 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.789 13.403 -7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.845 14.428 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.019 14.539 -7.900 1.00 0.00 H new ATOM 414 N TYR A 22 3.827 14.736 -5.243 1.00 0.00 N ATOM 415 CA TYR A 22 2.853 13.927 -4.520 1.00 0.00 C ATOM 416 C TYR A 22 1.867 13.272 -5.482 1.00 0.00 C ATOM 417 O TYR A 22 1.496 12.110 -5.312 1.00 0.00 O ATOM 418 CB TYR A 22 2.099 14.786 -3.504 1.00 0.00 C ATOM 419 CG TYR A 22 2.985 15.751 -2.749 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.351 16.970 -3.308 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.457 15.444 -1.479 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.162 17.854 -2.622 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.266 16.323 -0.786 1.00 0.00 C ATOM 424 CZ TYR A 22 4.616 17.527 -1.362 1.00 0.00 C ATOM 425 OH TYR A 22 5.423 18.404 -0.675 1.00 0.00 O ATOM 0 H TYR A 22 3.617 15.734 -5.259 1.00 0.00 H new ATOM 0 HA TYR A 22 3.392 13.141 -3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.322 15.349 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.597 14.133 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.996 17.230 -4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.187 14.502 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.439 18.797 -3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.623 16.069 0.201 1.00 0.00 H new ATOM 0 HH TYR A 22 5.653 18.022 0.197 1.00 0.00 H new ATOM 435 N ASP A 23 1.447 14.025 -6.492 1.00 0.00 N ATOM 436 CA ASP A 23 0.505 13.519 -7.483 1.00 0.00 C ATOM 437 C ASP A 23 0.978 12.185 -8.051 1.00 0.00 C ATOM 438 O ASP A 23 0.178 11.278 -8.281 1.00 0.00 O ATOM 439 CB ASP A 23 0.327 14.535 -8.613 1.00 0.00 C ATOM 440 CG ASP A 23 -0.400 13.949 -9.808 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.485 13.362 -9.613 1.00 0.00 O ATOM 442 OD2 ASP A 23 0.115 14.080 -10.938 1.00 0.00 O ATOM 0 H ASP A 23 1.744 14.989 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.455 13.363 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.228 15.396 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.305 14.899 -8.929 1.00 0.00 H new ATOM 447 N SER A 24 2.283 12.073 -8.276 1.00 0.00 N ATOM 448 CA SER A 24 2.863 10.851 -8.822 1.00 0.00 C ATOM 449 C SER A 24 2.786 9.714 -7.809 1.00 0.00 C ATOM 450 O SER A 24 2.714 8.542 -8.178 1.00 0.00 O ATOM 451 CB SER A 24 4.318 11.089 -9.230 1.00 0.00 C ATOM 452 OG SER A 24 4.397 11.705 -10.504 1.00 0.00 O ATOM 0 H SER A 24 2.959 12.813 -8.089 1.00 0.00 H new ATOM 0 HA SER A 24 2.288 10.568 -9.704 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.809 11.718 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.854 10.140 -9.248 1.00 0.00 H new ATOM 0 HG SER A 24 5.337 11.848 -10.741 1.00 0.00 H new ATOM 458 N ALA A 25 2.802 10.069 -6.528 1.00 0.00 N ATOM 459 CA ALA A 25 2.733 9.079 -5.460 1.00 0.00 C ATOM 460 C ALA A 25 1.325 8.508 -5.332 1.00 0.00 C ATOM 461 O ALA A 25 1.148 7.333 -5.012 1.00 0.00 O ATOM 462 CB ALA A 25 3.177 9.694 -4.141 1.00 0.00 C ATOM 0 H ALA A 25 2.862 11.035 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 25 3.408 8.261 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.120 8.944 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.204 10.048 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.525 10.531 -3.892 1.00 0.00 H new ATOM 468 N MET A 26 0.325 9.348 -5.582 1.00 0.00 N ATOM 469 CA MET A 26 -1.068 8.925 -5.494 1.00 0.00 C ATOM 470 C MET A 26 -1.353 7.788 -6.470 1.00 0.00 C ATOM 471 O MET A 26 -1.802 6.713 -6.072 1.00 0.00 O ATOM 472 CB MET A 26 -2.000 10.104 -5.780 1.00 0.00 C ATOM 473 CG MET A 26 -1.832 11.260 -4.808 1.00 0.00 C ATOM 474 SD MET A 26 -1.729 10.716 -3.092 1.00 0.00 S ATOM 475 CE MET A 26 0.017 10.343 -2.960 1.00 0.00 C ATOM 0 H MET A 26 0.454 10.325 -5.847 1.00 0.00 H new ATOM 0 HA MET A 26 -1.250 8.565 -4.481 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.819 10.463 -6.793 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.033 9.757 -5.745 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.930 11.816 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.671 11.947 -4.918 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.266 10.130 -1.920 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.251 9.474 -3.575 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.599 11.198 -3.304 1.00 0.00 H new ATOM 485 N VAL A 27 -1.090 8.033 -7.750 1.00 0.00 N ATOM 486 CA VAL A 27 -1.318 7.029 -8.783 1.00 0.00 C ATOM 487 C VAL A 27 -0.587 5.731 -8.459 1.00 0.00 C ATOM 488 O VAL A 27 -1.085 4.640 -8.738 1.00 0.00 O ATOM 489 CB VAL A 27 -0.861 7.531 -10.165 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.337 8.957 -10.400 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.653 7.438 -10.291 1.00 0.00 C ATOM 0 H VAL A 27 -0.719 8.918 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.391 6.841 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.307 6.894 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.004 9.294 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.426 8.989 -10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.922 9.610 -9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.959 7.797 -11.274 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.121 8.050 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.965 6.401 -10.170 1.00 0.00 H new ATOM 501 N TYR A 28 0.596 5.857 -7.868 1.00 0.00 N ATOM 502 CA TYR A 28 1.397 4.693 -7.507 1.00 0.00 C ATOM 503 C TYR A 28 0.767 3.938 -6.340 1.00 0.00 C ATOM 504 O TYR A 28 0.534 2.732 -6.420 1.00 0.00 O ATOM 505 CB TYR A 28 2.820 5.121 -7.142 1.00 0.00 C ATOM 506 CG TYR A 28 3.779 5.091 -8.310 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.639 5.975 -9.373 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.827 4.180 -8.350 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.512 5.950 -10.443 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.707 4.149 -9.415 1.00 0.00 C ATOM 511 CZ TYR A 28 5.545 5.035 -10.459 1.00 0.00 C ATOM 512 OH TYR A 28 6.418 5.009 -11.522 1.00 0.00 O ATOM 0 H TYR A 28 1.021 6.753 -7.629 1.00 0.00 H new ATOM 0 HA TYR A 28 1.434 4.028 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.793 6.130 -6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.197 4.467 -6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.833 6.694 -9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.956 3.484 -7.535 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.387 6.642 -11.262 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.517 3.435 -9.430 1.00 0.00 H new ATOM 0 HH TYR A 28 7.088 4.308 -11.378 1.00 0.00 H new ATOM 522 N TYR A 29 0.492 4.657 -5.258 1.00 0.00 N ATOM 523 CA TYR A 29 -0.110 4.057 -4.074 1.00 0.00 C ATOM 524 C TYR A 29 -1.406 3.334 -4.428 1.00 0.00 C ATOM 525 O TYR A 29 -1.633 2.201 -4.004 1.00 0.00 O ATOM 526 CB TYR A 29 -0.383 5.127 -3.016 1.00 0.00 C ATOM 527 CG TYR A 29 0.763 5.332 -2.051 1.00 0.00 C ATOM 528 CD1 TYR A 29 1.077 4.368 -1.101 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.531 6.489 -2.089 1.00 0.00 C ATOM 530 CE1 TYR A 29 2.123 4.550 -0.217 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.579 6.679 -1.210 1.00 0.00 C ATOM 532 CZ TYR A 29 2.871 5.707 -0.275 1.00 0.00 C ATOM 533 OH TYR A 29 3.914 5.894 0.603 1.00 0.00 O ATOM 0 H TYR A 29 0.677 5.657 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 29 0.593 3.328 -3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.600 6.072 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.275 4.851 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.493 3.461 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.305 7.253 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.354 3.790 0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.167 7.584 -1.254 1.00 0.00 H new ATOM 0 HH TYR A 29 4.338 6.760 0.427 1.00 0.00 H new ATOM 543 N GLN A 30 -2.251 3.997 -5.210 1.00 0.00 N ATOM 544 CA GLN A 30 -3.524 3.419 -5.622 1.00 0.00 C ATOM 545 C GLN A 30 -3.310 2.105 -6.367 1.00 0.00 C ATOM 546 O GLN A 30 -4.115 1.181 -6.261 1.00 0.00 O ATOM 547 CB GLN A 30 -4.292 4.401 -6.509 1.00 0.00 C ATOM 548 CG GLN A 30 -5.784 4.118 -6.580 1.00 0.00 C ATOM 549 CD GLN A 30 -6.505 4.459 -5.290 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.534 5.615 -4.869 1.00 0.00 O ATOM 551 NE2 GLN A 30 -7.092 3.451 -4.656 1.00 0.00 N ATOM 0 H GLN A 30 -2.077 4.935 -5.571 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.109 3.217 -4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.140 5.413 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.876 4.370 -7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.220 4.691 -7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.939 3.064 -6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.043 2.508 -5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.592 3.620 -3.783 1.00 0.00 H new ATOM 560 N GLY A 31 -2.217 2.029 -7.120 1.00 0.00 N ATOM 561 CA GLY A 31 -1.916 0.824 -7.871 1.00 0.00 C ATOM 562 C GLY A 31 -1.465 -0.317 -6.981 1.00 0.00 C ATOM 563 O GLY A 31 -1.867 -1.464 -7.178 1.00 0.00 O ATOM 0 H GLY A 31 -1.535 2.780 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.800 0.517 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.137 1.040 -8.602 1.00 0.00 H new ATOM 567 N VAL A 32 -0.625 -0.003 -6.000 1.00 0.00 N ATOM 568 CA VAL A 32 -0.117 -1.011 -5.077 1.00 0.00 C ATOM 569 C VAL A 32 -1.252 -1.657 -4.290 1.00 0.00 C ATOM 570 O VAL A 32 -1.272 -2.873 -4.092 1.00 0.00 O ATOM 571 CB VAL A 32 0.898 -0.407 -4.088 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.375 -1.461 -3.102 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.072 0.204 -4.838 1.00 0.00 C ATOM 0 H VAL A 32 -0.282 0.941 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 32 0.382 -1.769 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 32 0.404 0.385 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.091 -1.016 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.523 -1.847 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.853 -2.277 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.780 0.626 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.568 -0.567 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.711 0.991 -5.500 1.00 0.00 H new ATOM 583 N LEU A 33 -2.198 -0.837 -3.845 1.00 0.00 N ATOM 584 CA LEU A 33 -3.339 -1.328 -3.080 1.00 0.00 C ATOM 585 C LEU A 33 -4.214 -2.241 -3.933 1.00 0.00 C ATOM 586 O LEU A 33 -4.672 -3.287 -3.472 1.00 0.00 O ATOM 587 CB LEU A 33 -4.168 -0.156 -2.553 1.00 0.00 C ATOM 588 CG LEU A 33 -3.406 0.895 -1.745 1.00 0.00 C ATOM 589 CD1 LEU A 33 -4.133 2.230 -1.785 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.219 0.430 -0.308 1.00 0.00 C ATOM 0 H LEU A 33 -2.197 0.171 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.958 -1.904 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.641 0.339 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.969 -0.554 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.422 1.028 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.576 2.965 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.215 2.569 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.131 2.114 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.675 1.190 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.194 0.268 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.654 -0.502 -0.298 1.00 0.00 H new ATOM 602 N ASP A 34 -4.440 -1.840 -5.179 1.00 0.00 N ATOM 603 CA ASP A 34 -5.257 -2.624 -6.099 1.00 0.00 C ATOM 604 C ASP A 34 -4.617 -3.981 -6.373 1.00 0.00 C ATOM 605 O ASP A 34 -5.282 -5.015 -6.312 1.00 0.00 O ATOM 606 CB ASP A 34 -5.456 -1.865 -7.412 1.00 0.00 C ATOM 607 CG ASP A 34 -6.687 -0.981 -7.389 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.611 -1.270 -6.599 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.727 -0.001 -8.161 1.00 0.00 O ATOM 0 H ASP A 34 -4.069 -0.977 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.229 -2.789 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.576 -1.253 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.540 -2.579 -8.232 1.00 0.00 H new ATOM 614 N GLN A 35 -3.323 -3.969 -6.675 1.00 0.00 N ATOM 615 CA GLN A 35 -2.594 -5.199 -6.961 1.00 0.00 C ATOM 616 C GLN A 35 -2.444 -6.048 -5.702 1.00 0.00 C ATOM 617 O GLN A 35 -2.444 -7.277 -5.767 1.00 0.00 O ATOM 618 CB GLN A 35 -1.216 -4.878 -7.541 1.00 0.00 C ATOM 619 CG GLN A 35 -1.271 -4.119 -8.857 1.00 0.00 C ATOM 620 CD GLN A 35 -1.349 -5.040 -10.058 1.00 0.00 C ATOM 621 OE1 GLN A 35 -0.379 -5.195 -10.801 1.00 0.00 O ATOM 622 NE2 GLN A 35 -2.507 -5.659 -10.256 1.00 0.00 N ATOM 0 H GLN A 35 -2.758 -3.122 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.165 -5.767 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.654 -4.290 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.668 -5.808 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.137 -3.457 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.387 -3.487 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.285 -5.502 -9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.618 -6.292 -11.048 1.00 0.00 H new ATOM 631 N MET A 36 -2.316 -5.383 -4.559 1.00 0.00 N ATOM 632 CA MET A 36 -2.166 -6.077 -3.285 1.00 0.00 C ATOM 633 C MET A 36 -3.416 -6.887 -2.956 1.00 0.00 C ATOM 634 O MET A 36 -3.332 -8.072 -2.637 1.00 0.00 O ATOM 635 CB MET A 36 -1.884 -5.074 -2.164 1.00 0.00 C ATOM 636 CG MET A 36 -0.408 -4.763 -1.983 1.00 0.00 C ATOM 637 SD MET A 36 0.399 -5.872 -0.813 1.00 0.00 S ATOM 638 CE MET A 36 -0.513 -5.505 0.685 1.00 0.00 C ATOM 0 H MET A 36 -2.313 -4.365 -4.488 1.00 0.00 H new ATOM 0 HA MET A 36 -1.323 -6.763 -3.370 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.419 -4.148 -2.374 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.281 -5.467 -1.228 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.094 -4.832 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.297 -3.735 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.128 -5.671 1.551 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.837 -4.464 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.385 -6.156 0.749 1.00 0.00 H new ATOM 648 N ASN A 37 -4.573 -6.239 -3.037 1.00 0.00 N ATOM 649 CA ASN A 37 -5.841 -6.901 -2.748 1.00 0.00 C ATOM 650 C ASN A 37 -6.002 -8.162 -3.591 1.00 0.00 C ATOM 651 O ASN A 37 -6.339 -9.228 -3.076 1.00 0.00 O ATOM 652 CB ASN A 37 -7.009 -5.947 -3.008 1.00 0.00 C ATOM 653 CG ASN A 37 -7.405 -5.166 -1.770 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.159 -5.600 -0.644 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.023 -4.009 -1.973 1.00 0.00 N ATOM 0 H ASN A 37 -4.660 -5.257 -3.300 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.841 -7.187 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.736 -5.251 -3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.867 -6.517 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.315 -3.440 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.206 -3.689 -2.924 1.00 0.00 H new ATOM 662 N LYS A 38 -5.757 -8.033 -4.891 1.00 0.00 N ATOM 663 CA LYS A 38 -5.872 -9.161 -5.807 1.00 0.00 C ATOM 664 C LYS A 38 -5.069 -10.356 -5.303 1.00 0.00 C ATOM 665 O LYS A 38 -5.486 -11.504 -5.453 1.00 0.00 O ATOM 666 CB LYS A 38 -5.390 -8.762 -7.204 1.00 0.00 C ATOM 667 CG LYS A 38 -6.164 -7.602 -7.805 1.00 0.00 C ATOM 668 CD LYS A 38 -5.428 -6.994 -8.988 1.00 0.00 C ATOM 669 CE LYS A 38 -5.764 -7.715 -10.284 1.00 0.00 C ATOM 670 NZ LYS A 38 -7.165 -7.456 -10.716 1.00 0.00 N ATOM 0 H LYS A 38 -5.477 -7.158 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.922 -9.448 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.334 -8.496 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.470 -9.624 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.147 -7.946 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.326 -6.838 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.690 -5.940 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.353 -7.041 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.077 -7.393 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.617 -8.787 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.260 -7.664 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.813 -8.064 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.403 -6.458 -10.544 1.00 0.00 H new ATOM 684 N TYR A 39 -3.917 -10.077 -4.704 1.00 0.00 N ATOM 685 CA TYR A 39 -3.055 -11.129 -4.178 1.00 0.00 C ATOM 686 C TYR A 39 -3.701 -11.815 -2.978 1.00 0.00 C ATOM 687 O TYR A 39 -3.817 -13.040 -2.936 1.00 0.00 O ATOM 688 CB TYR A 39 -1.696 -10.552 -3.778 1.00 0.00 C ATOM 689 CG TYR A 39 -0.752 -11.577 -3.191 1.00 0.00 C ATOM 690 CD1 TYR A 39 -1.010 -12.163 -1.958 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.399 -11.960 -3.870 1.00 0.00 C ATOM 692 CE1 TYR A 39 -0.150 -13.099 -1.418 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.264 -12.896 -3.338 1.00 0.00 C ATOM 694 CZ TYR A 39 0.986 -13.463 -2.112 1.00 0.00 C ATOM 695 OH TYR A 39 1.845 -14.396 -1.578 1.00 0.00 O ATOM 0 H TYR A 39 -3.558 -9.132 -4.570 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.911 -11.871 -4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.230 -10.101 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.849 -9.754 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.899 -11.882 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.621 -11.518 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.365 -13.544 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.154 -13.182 -3.879 1.00 0.00 H new ATOM 0 HH TYR A 39 2.594 -14.540 -2.193 1.00 0.00 H new ATOM 705 N LEU A 40 -4.122 -11.015 -2.004 1.00 0.00 N ATOM 706 CA LEU A 40 -4.759 -11.543 -0.802 1.00 0.00 C ATOM 707 C LEU A 40 -6.004 -12.350 -1.155 1.00 0.00 C ATOM 708 O LEU A 40 -6.339 -13.321 -0.477 1.00 0.00 O ATOM 709 CB LEU A 40 -5.129 -10.401 0.146 1.00 0.00 C ATOM 710 CG LEU A 40 -4.210 -9.179 0.116 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.504 -8.260 1.292 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.750 -9.609 0.126 1.00 0.00 C ATOM 0 H LEU A 40 -4.034 -9.999 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.049 -12.204 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.142 -10.075 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.148 -10.792 1.163 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.400 -8.629 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.840 -7.396 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.540 -7.924 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.343 -8.800 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.111 -8.726 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.546 -10.183 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.546 -10.226 -0.749 1.00 0.00 H new ATOM 724 N TYR A 41 -6.684 -11.942 -2.221 1.00 0.00 N ATOM 725 CA TYR A 41 -7.893 -12.627 -2.664 1.00 0.00 C ATOM 726 C TYR A 41 -7.563 -14.012 -3.213 1.00 0.00 C ATOM 727 O TYR A 41 -8.386 -14.926 -3.157 1.00 0.00 O ATOM 728 CB TYR A 41 -8.611 -11.800 -3.731 1.00 0.00 C ATOM 729 CG TYR A 41 -10.114 -11.966 -3.716 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.714 -13.091 -4.267 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.933 -10.997 -3.151 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.087 -13.246 -4.256 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.307 -11.144 -3.134 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.879 -12.270 -3.688 1.00 0.00 C ATOM 735 OH TYR A 41 -14.246 -12.421 -3.674 1.00 0.00 O ATOM 0 H TYR A 41 -6.419 -11.141 -2.794 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.551 -12.745 -1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.369 -10.747 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.232 -12.082 -4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.097 -13.858 -4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.488 -10.113 -2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.538 -14.127 -4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.929 -10.381 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.656 -11.646 -3.237 1.00 0.00 H new ATOM 745 N SER A 42 -6.354 -14.158 -3.744 1.00 0.00 N ATOM 746 CA SER A 42 -5.915 -15.430 -4.308 1.00 0.00 C ATOM 747 C SER A 42 -5.157 -16.251 -3.269 1.00 0.00 C ATOM 748 O SER A 42 -4.450 -17.201 -3.607 1.00 0.00 O ATOM 749 CB SER A 42 -5.029 -15.191 -5.532 1.00 0.00 C ATOM 750 OG SER A 42 -4.827 -16.391 -6.257 1.00 0.00 O ATOM 0 H SER A 42 -5.660 -13.412 -3.796 1.00 0.00 H new ATOM 0 HA SER A 42 -6.799 -15.989 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.491 -14.445 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.067 -14.787 -5.215 1.00 0.00 H new ATOM 0 HG SER A 42 -4.528 -17.096 -5.646 1.00 0.00 H new ATOM 756 N VAL A 43 -5.310 -15.879 -2.003 1.00 0.00 N ATOM 757 CA VAL A 43 -4.641 -16.580 -0.913 1.00 0.00 C ATOM 758 C VAL A 43 -5.439 -17.805 -0.477 1.00 0.00 C ATOM 759 O VAL A 43 -6.666 -17.828 -0.577 1.00 0.00 O ATOM 760 CB VAL A 43 -4.431 -15.658 0.303 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.921 -16.454 1.494 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.473 -14.529 -0.045 1.00 0.00 C ATOM 0 H VAL A 43 -5.892 -15.096 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.669 -16.898 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.391 -15.218 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.778 -15.786 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.647 -17.224 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.971 -16.923 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.336 -13.887 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.511 -14.947 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.884 -13.943 -0.867 1.00 0.00 H new ATOM 772 N LYS A 44 -4.733 -18.821 0.008 1.00 0.00 N ATOM 773 CA LYS A 44 -5.374 -20.050 0.462 1.00 0.00 C ATOM 774 C LYS A 44 -5.401 -20.118 1.985 1.00 0.00 C ATOM 775 O LYS A 44 -6.314 -20.698 2.574 1.00 0.00 O ATOM 776 CB LYS A 44 -4.641 -21.269 -0.101 1.00 0.00 C ATOM 777 CG LYS A 44 -4.977 -21.565 -1.552 1.00 0.00 C ATOM 778 CD LYS A 44 -4.736 -23.026 -1.894 1.00 0.00 C ATOM 779 CE LYS A 44 -3.275 -23.286 -2.230 1.00 0.00 C ATOM 780 NZ LYS A 44 -2.918 -24.723 -2.073 1.00 0.00 N ATOM 0 H LYS A 44 -3.717 -18.818 0.097 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.401 -20.051 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.566 -21.110 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.886 -22.141 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.020 -21.313 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.372 -20.934 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.034 -23.652 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.361 -23.311 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.076 -22.972 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.640 -22.681 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.915 -24.859 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.083 -25.016 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.506 -25.298 -2.709 1.00 0.00 H new ATOM 794 N ASP A 45 -4.397 -19.521 2.618 1.00 0.00 N ATOM 795 CA ASP A 45 -4.307 -19.512 4.073 1.00 0.00 C ATOM 796 C ASP A 45 -4.906 -18.231 4.647 1.00 0.00 C ATOM 797 O ASP A 45 -4.323 -17.153 4.528 1.00 0.00 O ATOM 798 CB ASP A 45 -2.850 -19.652 4.517 1.00 0.00 C ATOM 799 CG ASP A 45 -2.435 -21.100 4.693 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.818 -21.935 3.847 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.727 -21.397 5.677 1.00 0.00 O ATOM 0 H ASP A 45 -3.634 -19.037 2.146 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.877 -20.360 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.202 -19.178 3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.707 -19.119 5.457 1.00 0.00 H new ATOM 806 N THR A 46 -6.074 -18.357 5.268 1.00 0.00 N ATOM 807 CA THR A 46 -6.753 -17.210 5.858 1.00 0.00 C ATOM 808 C THR A 46 -5.795 -16.380 6.706 1.00 0.00 C ATOM 809 O THR A 46 -5.857 -15.151 6.708 1.00 0.00 O ATOM 810 CB THR A 46 -7.944 -17.649 6.730 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.485 -18.474 7.807 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.969 -18.410 5.903 1.00 0.00 C ATOM 0 H THR A 46 -6.570 -19.242 5.376 1.00 0.00 H new ATOM 0 HA THR A 46 -7.122 -16.602 5.032 1.00 0.00 H new ATOM 0 HB THR A 46 -8.419 -16.755 7.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.248 -18.748 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.801 -18.710 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.338 -17.770 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.504 -19.297 5.473 1.00 0.00 H new ATOM 820 N HIS A 47 -4.909 -17.061 7.427 1.00 0.00 N ATOM 821 CA HIS A 47 -3.937 -16.386 8.279 1.00 0.00 C ATOM 822 C HIS A 47 -2.949 -15.579 7.442 1.00 0.00 C ATOM 823 O HIS A 47 -2.436 -14.551 7.887 1.00 0.00 O ATOM 824 CB HIS A 47 -3.184 -17.404 9.136 1.00 0.00 C ATOM 825 CG HIS A 47 -1.985 -16.834 9.829 1.00 0.00 C ATOM 826 ND1 HIS A 47 -2.059 -16.160 11.030 1.00 0.00 N ATOM 827 CD2 HIS A 47 -0.676 -16.842 9.484 1.00 0.00 C ATOM 828 CE1 HIS A 47 -0.848 -15.777 11.392 1.00 0.00 C ATOM 829 NE2 HIS A 47 0.009 -16.179 10.472 1.00 0.00 N ATOM 0 H HIS A 47 -4.845 -18.079 7.438 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.478 -15.701 8.932 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.865 -17.812 9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.868 -18.235 8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.250 -17.287 8.597 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.601 -15.228 12.289 1.00 0.00 H new ATOM 0 HE2 HIS A 47 1.017 -16.022 10.492 1.00 0.00 H new ATOM 838 N LEU A 48 -2.685 -16.051 6.228 1.00 0.00 N ATOM 839 CA LEU A 48 -1.757 -15.373 5.329 1.00 0.00 C ATOM 840 C LEU A 48 -2.366 -14.083 4.790 1.00 0.00 C ATOM 841 O LEU A 48 -1.756 -13.017 4.869 1.00 0.00 O ATOM 842 CB LEU A 48 -1.377 -16.295 4.168 1.00 0.00 C ATOM 843 CG LEU A 48 -0.182 -15.852 3.324 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.544 -17.059 2.751 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.633 -14.920 2.209 1.00 0.00 C ATOM 0 H LEU A 48 -3.100 -16.900 5.844 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.860 -15.121 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.165 -17.285 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.242 -16.396 3.512 1.00 0.00 H new ATOM 0 HG LEU A 48 0.511 -15.309 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.392 -16.724 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.901 -17.689 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.140 -17.630 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.231 -14.615 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.346 -15.438 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.107 -14.039 2.641 1.00 0.00 H new ATOM 857 N ARG A 49 -3.574 -14.187 4.244 1.00 0.00 N ATOM 858 CA ARG A 49 -4.265 -13.028 3.693 1.00 0.00 C ATOM 859 C ARG A 49 -4.591 -12.017 4.790 1.00 0.00 C ATOM 860 O ARG A 49 -4.411 -10.813 4.609 1.00 0.00 O ATOM 861 CB ARG A 49 -5.551 -13.463 2.987 1.00 0.00 C ATOM 862 CG ARG A 49 -6.316 -14.547 3.728 1.00 0.00 C ATOM 863 CD ARG A 49 -7.710 -14.738 3.153 1.00 0.00 C ATOM 864 NE ARG A 49 -8.483 -13.499 3.170 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.141 -13.057 4.236 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.119 -13.750 5.367 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.822 -11.920 4.174 1.00 0.00 N ATOM 0 H ARG A 49 -4.094 -15.062 4.172 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.604 -12.552 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.198 -12.595 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.303 -13.823 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.766 -15.486 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.390 -14.285 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.633 -15.103 2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.237 -15.502 3.725 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.520 -12.942 2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.596 -14.624 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.625 -13.409 6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.841 -11.384 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.327 -11.582 4.994 1.00 0.00 H new ATOM 881 N GLN A 50 -5.071 -12.517 5.924 1.00 0.00 N ATOM 882 CA GLN A 50 -5.423 -11.657 7.048 1.00 0.00 C ATOM 883 C GLN A 50 -4.205 -10.887 7.546 1.00 0.00 C ATOM 884 O GLN A 50 -4.320 -9.749 8.003 1.00 0.00 O ATOM 885 CB GLN A 50 -6.016 -12.488 8.187 1.00 0.00 C ATOM 886 CG GLN A 50 -4.978 -12.997 9.174 1.00 0.00 C ATOM 887 CD GLN A 50 -4.763 -12.047 10.335 1.00 0.00 C ATOM 888 OE1 GLN A 50 -5.589 -11.172 10.598 1.00 0.00 O ATOM 889 NE2 GLN A 50 -3.649 -12.214 11.038 1.00 0.00 N ATOM 0 H GLN A 50 -5.225 -13.512 6.089 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.168 -10.940 6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.749 -11.884 8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.551 -13.338 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.292 -13.968 9.557 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.032 -13.150 8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.992 -12.952 10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.450 -11.604 11.831 1.00 0.00 H new ATOM 898 N LYS A 51 -3.037 -11.514 7.455 1.00 0.00 N ATOM 899 CA LYS A 51 -1.796 -10.888 7.896 1.00 0.00 C ATOM 900 C LYS A 51 -1.447 -9.693 7.015 1.00 0.00 C ATOM 901 O LYS A 51 -1.040 -8.642 7.510 1.00 0.00 O ATOM 902 CB LYS A 51 -0.652 -11.904 7.872 1.00 0.00 C ATOM 903 CG LYS A 51 0.720 -11.279 8.057 1.00 0.00 C ATOM 904 CD LYS A 51 1.772 -12.328 8.380 1.00 0.00 C ATOM 905 CE LYS A 51 3.085 -11.689 8.802 1.00 0.00 C ATOM 906 NZ LYS A 51 4.239 -12.608 8.602 1.00 0.00 N ATOM 0 H LYS A 51 -2.924 -12.456 7.080 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.939 -10.535 8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.815 -12.641 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.673 -12.440 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.003 -10.746 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.680 -10.543 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.408 -12.976 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.938 -12.960 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.245 -10.776 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.028 -11.401 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.115 -12.135 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.099 -13.469 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.310 -12.863 7.596 1.00 0.00 H new ATOM 920 N TRP A 52 -1.610 -9.860 5.707 1.00 0.00 N ATOM 921 CA TRP A 52 -1.313 -8.794 4.757 1.00 0.00 C ATOM 922 C TRP A 52 -2.355 -7.684 4.841 1.00 0.00 C ATOM 923 O TRP A 52 -2.038 -6.509 4.660 1.00 0.00 O ATOM 924 CB TRP A 52 -1.257 -9.352 3.334 1.00 0.00 C ATOM 925 CG TRP A 52 -0.033 -10.174 3.066 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.011 -11.508 2.775 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.324 -9.717 3.066 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.313 -11.907 2.594 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.137 -10.827 2.767 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.930 -8.478 3.289 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.524 -10.733 2.686 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.307 -8.386 3.208 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.091 -9.507 2.908 1.00 0.00 C ATOM 0 H TRP A 52 -1.946 -10.723 5.280 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.341 -8.373 5.013 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.142 -9.963 3.156 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.293 -8.525 2.625 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.851 -12.154 2.698 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.617 -12.854 2.368 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.334 -7.608 3.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.131 -11.596 2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.786 -7.433 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.164 -9.402 2.851 1.00 0.00 H new ATOM 944 N GLN A 53 -3.598 -8.065 5.118 1.00 0.00 N ATOM 945 CA GLN A 53 -4.686 -7.101 5.225 1.00 0.00 C ATOM 946 C GLN A 53 -4.359 -6.024 6.255 1.00 0.00 C ATOM 947 O GLN A 53 -4.777 -4.874 6.117 1.00 0.00 O ATOM 948 CB GLN A 53 -5.987 -7.808 5.606 1.00 0.00 C ATOM 949 CG GLN A 53 -7.143 -6.856 5.870 1.00 0.00 C ATOM 950 CD GLN A 53 -7.379 -5.893 4.724 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.125 -4.694 4.843 1.00 0.00 O ATOM 952 NE2 GLN A 53 -7.869 -6.413 3.604 1.00 0.00 N ATOM 0 H GLN A 53 -3.876 -9.034 5.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.811 -6.624 4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.267 -8.492 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.815 -8.413 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.051 -7.433 6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.942 -6.290 6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.065 -7.412 3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.049 -5.813 2.799 1.00 0.00 H new ATOM 961 N GLN A 54 -3.611 -6.404 7.285 1.00 0.00 N ATOM 962 CA GLN A 54 -3.230 -5.471 8.338 1.00 0.00 C ATOM 963 C GLN A 54 -2.264 -4.416 7.807 1.00 0.00 C ATOM 964 O GLN A 54 -2.336 -3.247 8.185 1.00 0.00 O ATOM 965 CB GLN A 54 -2.591 -6.221 9.508 1.00 0.00 C ATOM 966 CG GLN A 54 -2.034 -5.306 10.586 1.00 0.00 C ATOM 967 CD GLN A 54 -1.684 -6.051 11.859 1.00 0.00 C ATOM 968 OE1 GLN A 54 -2.432 -6.019 12.837 1.00 0.00 O ATOM 969 NE2 GLN A 54 -0.541 -6.727 11.854 1.00 0.00 N ATOM 0 H GLN A 54 -3.257 -7.352 7.413 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.132 -4.969 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.334 -6.883 9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.788 -6.853 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.144 -4.804 10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.765 -4.530 10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.048 -6.726 11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.252 -7.247 12.683 1.00 0.00 H new ATOM 978 N VAL A 55 -1.360 -4.838 6.928 1.00 0.00 N ATOM 979 CA VAL A 55 -0.380 -3.930 6.344 1.00 0.00 C ATOM 980 C VAL A 55 -1.027 -3.011 5.314 1.00 0.00 C ATOM 981 O VAL A 55 -0.683 -1.833 5.216 1.00 0.00 O ATOM 982 CB VAL A 55 0.773 -4.702 5.675 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.750 -3.740 5.018 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.482 -5.586 6.691 1.00 0.00 C ATOM 0 H VAL A 55 -1.286 -5.803 6.605 1.00 0.00 H new ATOM 0 HA VAL A 55 0.021 -3.330 7.161 1.00 0.00 H new ATOM 0 HB VAL A 55 0.356 -5.343 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.557 -4.304 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.230 -3.155 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.164 -3.071 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.294 -6.124 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.888 -4.967 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.773 -6.301 7.109 1.00 0.00 H new ATOM 994 N TRP A 56 -1.965 -3.558 4.549 1.00 0.00 N ATOM 995 CA TRP A 56 -2.661 -2.787 3.526 1.00 0.00 C ATOM 996 C TRP A 56 -3.265 -1.517 4.117 1.00 0.00 C ATOM 997 O TRP A 56 -3.321 -0.481 3.456 1.00 0.00 O ATOM 998 CB TRP A 56 -3.757 -3.634 2.877 1.00 0.00 C ATOM 999 CG TRP A 56 -4.368 -2.991 1.669 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.020 -3.201 0.365 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.431 -2.032 1.653 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -4.804 -2.431 -0.460 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.678 -1.705 0.305 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.201 -1.420 2.646 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -6.660 -0.793 -0.071 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.175 -0.515 2.271 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.398 -0.209 0.922 1.00 0.00 C ATOM 0 H TRP A 56 -2.261 -4.532 4.618 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.935 -2.501 2.765 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.339 -4.600 2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.539 -3.828 3.611 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.243 -3.873 0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.745 -2.404 -1.478 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.037 -1.651 3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.833 -0.555 -1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.775 -0.035 3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.168 0.502 0.661 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.715 -1.607 5.364 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.315 -0.464 6.043 1.00 0.00 C ATOM 1020 C GLN A 57 -3.299 0.659 6.219 1.00 0.00 C ATOM 1021 O GLN A 57 -3.635 1.837 6.096 1.00 0.00 O ATOM 1022 CB GLN A 57 -4.868 -0.886 7.405 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.240 -1.536 7.330 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.971 -1.512 8.658 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.044 -2.522 9.358 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.517 -0.354 9.012 1.00 0.00 N ATOM 0 H GLN A 57 -3.676 -2.458 5.924 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.134 -0.095 5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.171 -1.582 7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.925 -0.010 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.841 -1.022 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.131 -2.569 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.432 0.458 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.021 -0.277 9.895 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.056 0.287 6.508 1.00 0.00 N ATOM 1036 CA GLU A 58 -0.992 1.265 6.702 1.00 0.00 C ATOM 1037 C GLU A 58 -0.617 1.930 5.382 1.00 0.00 C ATOM 1038 O GLU A 58 -0.258 3.108 5.348 1.00 0.00 O ATOM 1039 CB GLU A 58 0.240 0.596 7.317 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.002 0.037 8.709 1.00 0.00 C ATOM 1041 CD GLU A 58 0.944 -1.098 9.054 1.00 0.00 C ATOM 1042 OE1 GLU A 58 2.157 -0.961 8.791 1.00 0.00 O ATOM 1043 OE2 GLU A 58 0.469 -2.123 9.588 1.00 0.00 O ATOM 0 H GLU A 58 -1.761 -0.684 6.613 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.359 2.032 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.569 -0.211 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.052 1.321 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.112 0.836 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.030 -0.317 8.781 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.702 1.168 4.297 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.372 1.684 2.974 1.00 0.00 C ATOM 1052 C ILE A 59 -1.448 2.642 2.473 1.00 0.00 C ATOM 1053 O ILE A 59 -1.145 3.720 1.964 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.200 0.544 1.952 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.884 -0.429 2.418 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.141 1.109 0.581 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.880 -1.743 1.669 1.00 0.00 C ATOM 0 H ILE A 59 -0.996 0.191 4.308 1.00 0.00 H new ATOM 0 HA ILE A 59 0.572 2.220 3.071 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.141 -0.000 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.859 0.043 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.751 -0.626 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.259 0.292 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.662 1.766 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.071 1.675 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.675 -2.383 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.082 -2.237 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.044 -1.557 0.608 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.706 2.241 2.624 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.828 3.065 2.189 1.00 0.00 C ATOM 1071 C ASN A 60 -3.888 4.366 2.983 1.00 0.00 C ATOM 1072 O ASN A 60 -3.933 5.455 2.410 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.142 2.298 2.346 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.334 3.220 2.517 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.845 3.778 1.545 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.782 3.385 3.756 1.00 0.00 N ATOM 0 H ASN A 60 -2.974 1.351 3.044 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.681 3.309 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.297 1.666 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.072 1.636 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.581 3.994 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.327 2.902 4.531 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.888 4.246 4.307 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.940 5.412 5.181 1.00 0.00 C ATOM 1085 C VAL A 61 -2.774 6.355 4.909 1.00 0.00 C ATOM 1086 O VAL A 61 -2.921 7.575 4.981 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.919 5.002 6.666 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.501 4.678 7.110 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.521 6.100 7.530 1.00 0.00 C ATOM 0 H VAL A 61 -3.853 3.353 4.798 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.877 5.926 4.967 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.525 4.104 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.506 4.391 8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.111 3.855 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.868 5.556 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.498 5.794 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.944 7.017 7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.553 6.277 7.226 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.617 5.781 4.596 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.425 6.573 4.313 1.00 0.00 C ATOM 1101 C GLU A 62 -0.643 7.471 3.099 1.00 0.00 C ATOM 1102 O GLU A 62 -0.344 8.664 3.135 1.00 0.00 O ATOM 1103 CB GLU A 62 0.777 5.657 4.074 1.00 0.00 C ATOM 1104 CG GLU A 62 2.020 6.394 3.605 1.00 0.00 C ATOM 1105 CD GLU A 62 2.647 7.236 4.699 1.00 0.00 C ATOM 1106 OE1 GLU A 62 1.892 7.835 5.492 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.893 7.295 4.762 1.00 0.00 O ATOM 0 H GLU A 62 -1.479 4.772 4.532 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.226 7.205 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.007 5.125 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.509 4.906 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.752 5.671 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.761 7.035 2.762 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.166 6.888 2.026 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.426 7.635 0.801 1.00 0.00 C ATOM 1116 C ALA A 63 -2.397 8.783 1.054 1.00 0.00 C ATOM 1117 O ALA A 63 -2.328 9.824 0.400 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.971 6.709 -0.276 1.00 0.00 C ATOM 0 H ALA A 63 -1.418 5.901 1.980 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.483 8.060 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.161 7.280 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.243 5.926 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.901 6.257 0.069 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.301 8.588 2.008 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.286 9.608 2.349 1.00 0.00 C ATOM 1126 C LYS A 64 -3.607 10.859 2.897 1.00 0.00 C ATOM 1127 O LYS A 64 -3.945 11.978 2.512 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.280 9.062 3.377 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.506 9.940 3.563 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.608 9.571 2.585 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.281 10.037 1.175 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.510 10.234 0.356 1.00 0.00 N ATOM 0 H LYS A 64 -3.372 7.733 2.559 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.824 9.877 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.600 8.067 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.774 8.951 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.875 9.840 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.231 10.986 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.752 8.491 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.548 10.019 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.722 10.972 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.636 9.304 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.244 10.552 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.030 9.336 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.114 10.952 0.804 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.647 10.661 3.795 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.921 11.774 4.394 1.00 0.00 C ATOM 1148 C GLN A 65 -1.237 12.617 3.323 1.00 0.00 C ATOM 1149 O GLN A 65 -1.322 13.845 3.336 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.884 11.256 5.392 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.495 10.604 6.621 1.00 0.00 C ATOM 1152 CD GLN A 65 -0.449 10.065 7.577 1.00 0.00 C ATOM 1153 OE1 GLN A 65 0.444 10.792 8.013 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.553 8.783 7.907 1.00 0.00 N ATOM 0 H GLN A 65 -2.354 9.741 4.123 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.639 12.402 4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.239 10.534 4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.250 12.085 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.117 11.332 7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.150 9.790 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.309 8.217 7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.123 8.364 8.545 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.557 11.949 2.396 1.00 0.00 N ATOM 1164 CA VAL A 66 0.141 12.637 1.316 1.00 0.00 C ATOM 1165 C VAL A 66 -0.770 13.645 0.626 1.00 0.00 C ATOM 1166 O VAL A 66 -0.325 14.709 0.196 1.00 0.00 O ATOM 1167 CB VAL A 66 0.673 11.641 0.268 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.297 12.383 -0.904 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.675 10.687 0.901 1.00 0.00 C ATOM 0 H VAL A 66 -0.475 10.933 2.371 1.00 0.00 H new ATOM 0 HA VAL A 66 0.982 13.163 1.768 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.164 11.054 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.667 11.664 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.547 13.021 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.124 12.997 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.041 9.990 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.512 11.255 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.191 10.131 1.704 1.00 0.00 H new ATOM 1179 N LYS A 67 -2.051 13.305 0.525 1.00 0.00 N ATOM 1180 CA LYS A 67 -3.028 14.180 -0.111 1.00 0.00 C ATOM 1181 C LYS A 67 -3.082 15.534 0.589 1.00 0.00 C ATOM 1182 O LYS A 67 -3.321 16.562 -0.044 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.413 13.530 -0.096 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.468 14.327 -0.842 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.560 13.427 -1.395 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.107 12.712 -2.658 1.00 0.00 C ATOM 1187 NZ LYS A 67 -5.870 13.663 -3.779 1.00 0.00 N ATOM 0 H LYS A 67 -2.437 12.428 0.876 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.719 14.337 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.343 12.535 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.732 13.399 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.909 15.065 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.000 14.877 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.843 12.692 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.448 14.021 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.191 12.157 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.862 11.983 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.914 13.151 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.599 14.405 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.931 14.098 -3.673 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.859 15.527 1.899 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.881 16.755 2.685 1.00 0.00 C ATOM 1203 C ASP A 68 -1.549 17.492 2.579 1.00 0.00 C ATOM 1204 O ASP A 68 -1.511 18.682 2.268 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.189 16.442 4.150 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.554 17.682 4.942 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -2.669 18.542 5.140 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -4.724 17.794 5.364 1.00 0.00 O ATOM 0 H ASP A 68 -2.661 14.684 2.439 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.665 17.399 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.010 15.727 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.322 15.965 4.607 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.461 16.776 2.839 1.00 0.00 N ATOM 1214 CA ILE A 69 0.872 17.362 2.773 1.00 0.00 C ATOM 1215 C ILE A 69 1.141 17.961 1.396 1.00 0.00 C ATOM 1216 O ILE A 69 2.098 18.713 1.212 1.00 0.00 O ATOM 1217 CB ILE A 69 1.962 16.320 3.088 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.342 15.548 1.822 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.485 15.366 4.173 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.382 14.475 2.058 1.00 0.00 C ATOM 0 H ILE A 69 -0.476 15.789 3.097 1.00 0.00 H new ATOM 0 HA ILE A 69 0.907 18.151 3.524 1.00 0.00 H new ATOM 0 HB ILE A 69 2.847 16.841 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.446 15.089 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.718 16.250 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.266 14.636 4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.259 15.929 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.587 14.849 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.603 13.969 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.293 14.930 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.001 13.751 2.779 1.00 0.00 H new ATOM 1232 N MET A 70 0.289 17.624 0.434 1.00 0.00 N ATOM 1233 CA MET A 70 0.433 18.132 -0.926 1.00 0.00 C ATOM 1234 C MET A 70 -0.572 19.246 -1.199 1.00 0.00 C ATOM 1235 O MET A 70 -0.882 19.548 -2.352 1.00 0.00 O ATOM 1236 CB MET A 70 0.246 17.001 -1.938 1.00 0.00 C ATOM 1237 CG MET A 70 -1.202 16.572 -2.110 1.00 0.00 C ATOM 1238 SD MET A 70 -1.522 15.835 -3.724 1.00 0.00 S ATOM 1239 CE MET A 70 -3.070 16.626 -4.156 1.00 0.00 C ATOM 0 H MET A 70 -0.508 17.002 0.570 1.00 0.00 H new ATOM 0 HA MET A 70 1.438 18.540 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.639 17.320 -2.903 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.836 16.141 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.459 15.855 -1.330 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.851 17.437 -1.975 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.399 16.272 -5.133 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.824 16.382 -3.408 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.929 17.706 -4.190 1.00 0.00 H new