USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN :FLIP amide:sc= 0.0894 F(o=-3.1!,f=0.089) USER MOD Set 1.2: A 24 SER OG : rot -172:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 5 MET CE :methyl -175:sc= 0 (180deg=-0.0391) USER MOD Single : A 9 ASN : amide:sc= -2.03 K(o=-2,f=-4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 155:sc= -12.6! (180deg=-14.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -15:sc=0.000367 USER MOD Single : A 30 GLN :FLIP amide:sc= -5.02! C(o=-6.3!,f=-5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -130:sc= -0.0355 (180deg=-0.249) USER MOD Single : A 37 ASN : amide:sc= 0.498 K(o=0.5,f=-0.0061) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 88:sc= 0.0145 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= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.5!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.198 F(o=-0.78,f=-0.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.85) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -113:sc= -0.0525 (180deg=-1.78!) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.596 -10.655 -3.939 1.00 0.00 N ATOM 102 CA LEU A 3 4.000 -9.472 -3.328 1.00 0.00 C ATOM 103 C LEU A 3 5.039 -8.369 -3.151 1.00 0.00 C ATOM 104 O LEU A 3 4.695 -7.193 -3.034 1.00 0.00 O ATOM 105 CB LEU A 3 3.384 -9.829 -1.974 1.00 0.00 C ATOM 106 CG LEU A 3 2.176 -8.995 -1.546 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.597 -9.524 -0.243 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.562 -7.530 -1.405 1.00 0.00 C ATOM 0 HA LEU A 3 3.217 -9.106 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.087 -10.877 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.155 -9.734 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 3 1.411 -9.075 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.738 -8.918 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.282 -10.559 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.355 -9.475 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.690 -6.952 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.345 -7.431 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.928 -7.157 -2.361 1.00 0.00 H new ATOM 120 N GLN A 4 6.310 -8.757 -3.136 1.00 0.00 N ATOM 121 CA GLN A 4 7.399 -7.801 -2.975 1.00 0.00 C ATOM 122 C GLN A 4 7.383 -6.765 -4.095 1.00 0.00 C ATOM 123 O GLN A 4 7.555 -5.571 -3.852 1.00 0.00 O ATOM 124 CB GLN A 4 8.745 -8.527 -2.955 1.00 0.00 C ATOM 125 CG GLN A 4 9.789 -7.848 -2.083 1.00 0.00 C ATOM 126 CD GLN A 4 9.830 -8.410 -0.676 1.00 0.00 C ATOM 127 OE1 GLN A 4 8.717 -8.296 0.040 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 10.850 -8.942 -0.236 1.00 0.00 N flip ATOM 0 H GLN A 4 6.611 -9.727 -3.233 1.00 0.00 H new ATOM 0 HA GLN A 4 7.259 -7.285 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.594 -9.546 -2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.125 -8.598 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.770 -7.961 -2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.579 -6.779 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.683 -9.008 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.861 -9.316 0.713 1.00 0.00 H new ATOM 137 N MET A 5 7.177 -7.232 -5.323 1.00 0.00 N ATOM 138 CA MET A 5 7.138 -6.345 -6.480 1.00 0.00 C ATOM 139 C MET A 5 6.083 -5.259 -6.297 1.00 0.00 C ATOM 140 O MET A 5 6.129 -4.220 -6.957 1.00 0.00 O ATOM 141 CB MET A 5 6.848 -7.145 -7.752 1.00 0.00 C ATOM 142 CG MET A 5 7.135 -6.376 -9.031 1.00 0.00 C ATOM 143 SD MET A 5 6.434 -7.169 -10.491 1.00 0.00 S ATOM 144 CE MET A 5 7.454 -8.637 -10.601 1.00 0.00 C ATOM 0 H MET A 5 7.035 -8.218 -5.542 1.00 0.00 H new ATOM 0 HA MET A 5 8.113 -5.867 -6.574 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.447 -8.056 -7.743 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.802 -7.451 -7.749 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.732 -5.367 -8.942 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.213 -6.279 -9.158 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.202 -9.188 -11.507 1.00 0.00 H new ATOM 0 HE2 MET A 5 8.505 -8.349 -10.632 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.277 -9.269 -9.731 1.00 0.00 H new ATOM 154 N ILE A 6 5.136 -5.505 -5.399 1.00 0.00 N ATOM 155 CA ILE A 6 4.071 -4.546 -5.130 1.00 0.00 C ATOM 156 C ILE A 6 4.465 -3.587 -4.012 1.00 0.00 C ATOM 157 O ILE A 6 4.611 -2.385 -4.234 1.00 0.00 O ATOM 158 CB ILE A 6 2.759 -5.255 -4.745 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.497 -6.435 -5.683 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.597 -4.274 -4.779 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.298 -6.026 -7.126 1.00 0.00 C ATOM 0 H ILE A 6 5.084 -6.360 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 6 3.913 -3.983 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 6 2.855 -5.638 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.335 -7.130 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.612 -6.972 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.677 -4.790 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.783 -3.465 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.497 -3.863 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.117 -6.913 -7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.442 -5.355 -7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.191 -5.515 -7.486 1.00 0.00 H new ATOM 173 N VAL A 7 4.637 -4.126 -2.810 1.00 0.00 N ATOM 174 CA VAL A 7 5.016 -3.319 -1.657 1.00 0.00 C ATOM 175 C VAL A 7 6.221 -2.440 -1.974 1.00 0.00 C ATOM 176 O VAL A 7 6.327 -1.315 -1.487 1.00 0.00 O ATOM 177 CB VAL A 7 5.345 -4.201 -0.437 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.073 -4.790 0.153 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.322 -5.300 -0.824 1.00 0.00 C ATOM 0 H VAL A 7 4.520 -5.119 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 7 4.161 -2.687 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 7 5.816 -3.579 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.324 -5.410 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.411 -3.984 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.571 -5.399 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.544 -5.914 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.880 -5.922 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.244 -4.853 -1.197 1.00 0.00 H new ATOM 189 N GLU A 8 7.128 -2.962 -2.795 1.00 0.00 N ATOM 190 CA GLU A 8 8.326 -2.225 -3.177 1.00 0.00 C ATOM 191 C GLU A 8 7.963 -0.961 -3.951 1.00 0.00 C ATOM 192 O GLU A 8 8.665 0.047 -3.878 1.00 0.00 O ATOM 193 CB GLU A 8 9.248 -3.107 -4.021 1.00 0.00 C ATOM 194 CG GLU A 8 8.759 -3.308 -5.446 1.00 0.00 C ATOM 195 CD GLU A 8 9.811 -3.935 -6.340 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.452 -4.915 -5.907 1.00 0.00 O ATOM 197 OE2 GLU A 8 9.993 -3.445 -7.475 1.00 0.00 O ATOM 0 H GLU A 8 7.055 -3.892 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 8 8.849 -1.935 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.242 -2.660 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.348 -4.080 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.872 -3.941 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.460 -2.346 -5.863 1.00 0.00 H new ATOM 204 N ASN A 9 6.862 -1.024 -4.693 1.00 0.00 N ATOM 205 CA ASN A 9 6.406 0.114 -5.482 1.00 0.00 C ATOM 206 C ASN A 9 6.056 1.295 -4.582 1.00 0.00 C ATOM 207 O ASN A 9 6.236 2.453 -4.960 1.00 0.00 O ATOM 208 CB ASN A 9 5.191 -0.278 -6.325 1.00 0.00 C ATOM 209 CG ASN A 9 5.544 -1.255 -7.429 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.879 -2.276 -7.605 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.595 -0.946 -8.179 1.00 0.00 N ATOM 0 H ASN A 9 6.269 -1.851 -4.764 1.00 0.00 H new ATOM 0 HA ASN A 9 7.218 0.414 -6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.433 -0.722 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.752 0.618 -6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.880 -1.566 -8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.117 -0.089 -7.997 1.00 0.00 H new ATOM 218 N VAL A 10 5.554 0.994 -3.388 1.00 0.00 N ATOM 219 CA VAL A 10 5.179 2.029 -2.433 1.00 0.00 C ATOM 220 C VAL A 10 6.371 2.916 -2.088 1.00 0.00 C ATOM 221 O VAL A 10 6.276 4.143 -2.118 1.00 0.00 O ATOM 222 CB VAL A 10 4.615 1.419 -1.136 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.148 2.514 -0.190 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.482 0.455 -1.451 1.00 0.00 C ATOM 0 H VAL A 10 5.398 0.041 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 10 4.405 2.632 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 10 5.410 0.860 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.753 2.064 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.988 3.161 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.368 3.103 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.095 0.033 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.684 0.988 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.854 -0.348 -2.088 1.00 0.00 H new ATOM 234 N LYS A 11 7.495 2.286 -1.761 1.00 0.00 N ATOM 235 CA LYS A 11 8.707 3.016 -1.412 1.00 0.00 C ATOM 236 C LYS A 11 9.020 4.083 -2.456 1.00 0.00 C ATOM 237 O LYS A 11 9.508 5.165 -2.127 1.00 0.00 O ATOM 238 CB LYS A 11 9.889 2.052 -1.283 1.00 0.00 C ATOM 239 CG LYS A 11 9.636 0.905 -0.320 1.00 0.00 C ATOM 240 CD LYS A 11 9.188 1.409 1.042 1.00 0.00 C ATOM 241 CE LYS A 11 10.261 2.262 1.701 1.00 0.00 C ATOM 242 NZ LYS A 11 10.206 2.172 3.186 1.00 0.00 N ATOM 0 H LYS A 11 7.591 1.271 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 11 8.541 3.508 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.124 1.645 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.766 2.608 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.874 0.243 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.545 0.314 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.274 1.993 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.950 0.561 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.243 1.942 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.138 3.301 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.953 2.767 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.278 2.501 3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.349 1.185 3.479 1.00 0.00 H new ATOM 256 N LEU A 12 8.735 3.773 -3.716 1.00 0.00 N ATOM 257 CA LEU A 12 8.984 4.706 -4.809 1.00 0.00 C ATOM 258 C LEU A 12 8.030 5.894 -4.740 1.00 0.00 C ATOM 259 O LEU A 12 8.445 7.045 -4.867 1.00 0.00 O ATOM 260 CB LEU A 12 8.836 3.996 -6.156 1.00 0.00 C ATOM 261 CG LEU A 12 9.535 4.658 -7.344 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.674 5.773 -7.916 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.899 5.192 -6.931 1.00 0.00 C ATOM 0 H LEU A 12 8.331 2.882 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 12 10.004 5.077 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.220 2.981 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.774 3.913 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 12 9.682 3.906 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.188 6.233 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.721 5.362 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.495 6.525 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.382 5.660 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.776 5.929 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.517 4.370 -6.570 1.00 0.00 H new ATOM 275 N ALA A 13 6.748 5.605 -4.535 1.00 0.00 N ATOM 276 CA ALA A 13 5.735 6.649 -4.444 1.00 0.00 C ATOM 277 C ALA A 13 6.011 7.581 -3.269 1.00 0.00 C ATOM 278 O ALA A 13 5.832 8.795 -3.371 1.00 0.00 O ATOM 279 CB ALA A 13 4.351 6.031 -4.316 1.00 0.00 C ATOM 0 H ALA A 13 6.387 4.657 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 13 5.774 7.240 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.604 6.822 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.147 5.412 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.309 5.415 -3.417 1.00 0.00 H new ATOM 285 N ARG A 14 6.447 7.005 -2.153 1.00 0.00 N ATOM 286 CA ARG A 14 6.746 7.785 -0.957 1.00 0.00 C ATOM 287 C ARG A 14 7.852 8.799 -1.232 1.00 0.00 C ATOM 288 O ARG A 14 7.747 9.964 -0.850 1.00 0.00 O ATOM 289 CB ARG A 14 7.160 6.861 0.189 1.00 0.00 C ATOM 290 CG ARG A 14 7.013 7.493 1.564 1.00 0.00 C ATOM 291 CD ARG A 14 6.918 6.438 2.655 1.00 0.00 C ATOM 292 NE ARG A 14 7.055 7.016 3.989 1.00 0.00 N ATOM 293 CZ ARG A 14 8.206 7.459 4.483 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.313 7.391 3.756 1.00 0.00 N ATOM 295 NH2 ARG A 14 8.251 7.973 5.706 1.00 0.00 N ATOM 0 H ARG A 14 6.601 6.002 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 14 5.844 8.326 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.557 5.954 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.198 6.561 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.865 8.144 1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.122 8.120 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.960 5.924 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.695 5.689 2.503 1.00 0.00 H new ATOM 0 HE ARG A 14 6.222 7.083 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.282 6.998 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.195 7.732 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.401 8.028 6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.135 8.313 6.084 1.00 0.00 H new ATOM 309 N GLU A 15 8.911 8.347 -1.897 1.00 0.00 N ATOM 310 CA GLU A 15 10.036 9.216 -2.220 1.00 0.00 C ATOM 311 C GLU A 15 9.575 10.427 -3.025 1.00 0.00 C ATOM 312 O GLU A 15 10.053 11.543 -2.818 1.00 0.00 O ATOM 313 CB GLU A 15 11.097 8.442 -3.007 1.00 0.00 C ATOM 314 CG GLU A 15 12.278 9.295 -3.438 1.00 0.00 C ATOM 315 CD GLU A 15 13.278 8.525 -4.279 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.919 7.599 -3.739 1.00 0.00 O ATOM 317 OE2 GLU A 15 13.418 8.848 -5.477 1.00 0.00 O ATOM 0 H GLU A 15 9.013 7.386 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 15 10.471 9.567 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.460 7.616 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.634 8.004 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.915 10.152 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.779 9.688 -2.554 1.00 0.00 H new ATOM 324 N TYR A 16 8.642 10.200 -3.943 1.00 0.00 N ATOM 325 CA TYR A 16 8.117 11.271 -4.782 1.00 0.00 C ATOM 326 C TYR A 16 7.401 12.321 -3.938 1.00 0.00 C ATOM 327 O TYR A 16 7.550 13.522 -4.163 1.00 0.00 O ATOM 328 CB TYR A 16 7.160 10.704 -5.831 1.00 0.00 C ATOM 329 CG TYR A 16 7.860 9.995 -6.969 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.901 9.108 -6.726 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.480 10.214 -8.288 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.543 8.459 -7.762 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.116 9.569 -9.330 1.00 0.00 C ATOM 334 CZ TYR A 16 9.148 8.693 -9.063 1.00 0.00 C ATOM 335 OH TYR A 16 9.784 8.048 -10.098 1.00 0.00 O ATOM 0 H TYR A 16 8.233 9.283 -4.125 1.00 0.00 H new ATOM 0 HA TYR A 16 8.957 11.747 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.475 10.008 -5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.556 11.516 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.214 8.923 -5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.674 10.900 -8.501 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.350 7.772 -7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.807 9.749 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 16 9.384 8.323 -10.950 1.00 0.00 H new ATOM 345 N ALA A 17 6.621 11.859 -2.966 1.00 0.00 N ATOM 346 CA ALA A 17 5.883 12.756 -2.087 1.00 0.00 C ATOM 347 C ALA A 17 6.830 13.663 -1.308 1.00 0.00 C ATOM 348 O ALA A 17 6.548 14.846 -1.106 1.00 0.00 O ATOM 349 CB ALA A 17 5.008 11.958 -1.131 1.00 0.00 C ATOM 0 H ALA A 17 6.484 10.868 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 17 5.244 13.386 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.463 12.642 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.300 11.357 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.634 11.303 -0.525 1.00 0.00 H new ATOM 355 N LEU A 18 7.952 13.103 -0.871 1.00 0.00 N ATOM 356 CA LEU A 18 8.941 13.862 -0.113 1.00 0.00 C ATOM 357 C LEU A 18 9.649 14.877 -1.005 1.00 0.00 C ATOM 358 O LEU A 18 9.691 16.069 -0.696 1.00 0.00 O ATOM 359 CB LEU A 18 9.965 12.916 0.516 1.00 0.00 C ATOM 360 CG LEU A 18 9.395 11.726 1.288 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.457 11.115 2.188 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.182 12.151 2.103 1.00 0.00 C ATOM 0 H LEU A 18 8.200 12.126 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 18 8.421 14.402 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.611 12.534 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.596 13.493 1.192 1.00 0.00 H new ATOM 0 HG LEU A 18 9.078 10.970 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.033 10.269 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.296 10.773 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.805 11.864 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.789 11.291 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.473 12.926 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.413 12.541 1.435 1.00 0.00 H new ATOM 374 N LEU A 19 10.203 14.398 -2.113 1.00 0.00 N ATOM 375 CA LEU A 19 10.908 15.264 -3.052 1.00 0.00 C ATOM 376 C LEU A 19 10.051 16.467 -3.432 1.00 0.00 C ATOM 377 O LEU A 19 10.551 17.585 -3.549 1.00 0.00 O ATOM 378 CB LEU A 19 11.293 14.480 -4.308 1.00 0.00 C ATOM 379 CG LEU A 19 12.658 13.791 -4.278 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.841 13.025 -2.977 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.813 12.862 -5.473 1.00 0.00 C ATOM 0 H LEU A 19 10.178 13.415 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 19 11.814 15.626 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.530 13.722 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.271 15.162 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 19 13.431 14.557 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.818 12.541 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.775 13.715 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.061 12.269 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.790 12.380 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.032 12.102 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.728 13.438 -6.395 1.00 0.00 H new ATOM 393 N GLY A 20 8.757 16.229 -3.621 1.00 0.00 N ATOM 394 CA GLY A 20 7.851 17.303 -3.983 1.00 0.00 C ATOM 395 C GLY A 20 6.728 16.835 -4.888 1.00 0.00 C ATOM 396 O GLY A 20 5.731 17.533 -5.064 1.00 0.00 O ATOM 0 H GLY A 20 8.320 15.312 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.427 17.737 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.411 18.093 -4.483 1.00 0.00 H new ATOM 400 N ASN A 21 6.891 15.648 -5.465 1.00 0.00 N ATOM 401 CA ASN A 21 5.884 15.088 -6.358 1.00 0.00 C ATOM 402 C ASN A 21 4.925 14.179 -5.595 1.00 0.00 C ATOM 403 O ASN A 21 5.238 13.020 -5.320 1.00 0.00 O ATOM 404 CB ASN A 21 6.555 14.306 -7.489 1.00 0.00 C ATOM 405 CG ASN A 21 5.699 14.251 -8.740 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.388 14.368 -8.566 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.211 14.104 -9.850 1.00 0.00 N flip ATOM 0 H ASN A 21 7.711 15.056 -5.330 1.00 0.00 H new ATOM 0 HA ASN A 21 5.313 15.913 -6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.513 14.767 -7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.765 13.291 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.224 14.018 -9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.623 14.068 -10.682 1.00 0.00 H new ATOM 414 N TYR A 22 3.757 14.712 -5.257 1.00 0.00 N ATOM 415 CA TYR A 22 2.752 13.950 -4.524 1.00 0.00 C ATOM 416 C TYR A 22 1.766 13.288 -5.481 1.00 0.00 C ATOM 417 O TYR A 22 1.398 12.126 -5.305 1.00 0.00 O ATOM 418 CB TYR A 22 2.002 14.860 -3.550 1.00 0.00 C ATOM 419 CG TYR A 22 2.894 15.858 -2.845 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.338 17.002 -3.495 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.291 15.655 -1.529 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.153 17.916 -2.855 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.105 16.565 -0.881 1.00 0.00 C ATOM 424 CZ TYR A 22 4.533 17.693 -1.548 1.00 0.00 C ATOM 425 OH TYR A 22 5.345 18.600 -0.906 1.00 0.00 O ATOM 0 H TYR A 22 3.482 15.669 -5.479 1.00 0.00 H new ATOM 0 HA TYR A 22 3.264 13.170 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.226 15.399 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.499 14.244 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.041 17.180 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.958 14.772 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.491 18.800 -3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.404 16.393 0.142 1.00 0.00 H new ATOM 0 HH TYR A 22 5.518 18.294 0.009 1.00 0.00 H new ATOM 435 N ASP A 23 1.342 14.036 -6.494 1.00 0.00 N ATOM 436 CA ASP A 23 0.399 13.522 -7.481 1.00 0.00 C ATOM 437 C ASP A 23 0.872 12.184 -8.040 1.00 0.00 C ATOM 438 O ASP A 23 0.080 11.258 -8.213 1.00 0.00 O ATOM 439 CB ASP A 23 0.220 14.529 -8.618 1.00 0.00 C ATOM 440 CG ASP A 23 -0.970 14.203 -9.498 1.00 0.00 C ATOM 441 OD1 ASP A 23 -2.095 14.623 -9.155 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.778 13.528 -10.531 1.00 0.00 O ATOM 0 H ASP A 23 1.636 15.000 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.560 13.369 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.095 15.527 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.124 14.549 -9.227 1.00 0.00 H new ATOM 447 N SER A 24 2.168 12.090 -8.320 1.00 0.00 N ATOM 448 CA SER A 24 2.746 10.867 -8.863 1.00 0.00 C ATOM 449 C SER A 24 2.656 9.728 -7.853 1.00 0.00 C ATOM 450 O SER A 24 2.589 8.557 -8.225 1.00 0.00 O ATOM 451 CB SER A 24 4.206 11.099 -9.259 1.00 0.00 C ATOM 452 OG SER A 24 4.297 11.897 -10.426 1.00 0.00 O ATOM 0 H SER A 24 2.838 12.847 -8.180 1.00 0.00 H new ATOM 0 HA SER A 24 2.177 10.589 -9.750 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.735 11.586 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.696 10.141 -9.431 1.00 0.00 H new ATOM 0 HG SER A 24 5.228 11.927 -10.730 1.00 0.00 H new ATOM 458 N ALA A 25 2.655 10.081 -6.571 1.00 0.00 N ATOM 459 CA ALA A 25 2.571 9.089 -5.506 1.00 0.00 C ATOM 460 C ALA A 25 1.160 8.523 -5.393 1.00 0.00 C ATOM 461 O ALA A 25 0.976 7.349 -5.072 1.00 0.00 O ATOM 462 CB ALA A 25 3.005 9.700 -4.181 1.00 0.00 C ATOM 0 H ALA A 25 2.711 11.046 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 25 3.244 8.268 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.937 8.949 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.034 10.050 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.354 10.540 -3.937 1.00 0.00 H new ATOM 468 N MET A 26 0.167 9.365 -5.657 1.00 0.00 N ATOM 469 CA MET A 26 -1.229 8.947 -5.585 1.00 0.00 C ATOM 470 C MET A 26 -1.506 7.809 -6.562 1.00 0.00 C ATOM 471 O MET A 26 -1.961 6.735 -6.166 1.00 0.00 O ATOM 472 CB MET A 26 -2.153 10.129 -5.885 1.00 0.00 C ATOM 473 CG MET A 26 -1.990 11.289 -4.916 1.00 0.00 C ATOM 474 SD MET A 26 -1.871 10.749 -3.200 1.00 0.00 S ATOM 475 CE MET A 26 -0.149 10.264 -3.116 1.00 0.00 C ATOM 0 H MET A 26 0.302 10.340 -5.923 1.00 0.00 H new ATOM 0 HA MET A 26 -1.424 8.590 -4.574 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.960 10.483 -6.898 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.188 9.787 -5.859 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.095 11.853 -5.178 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.837 11.967 -5.022 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.199 10.333 -2.085 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.043 9.237 -3.467 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.446 10.926 -3.745 1.00 0.00 H new ATOM 485 N VAL A 27 -1.230 8.051 -7.839 1.00 0.00 N ATOM 486 CA VAL A 27 -1.450 7.045 -8.872 1.00 0.00 C ATOM 487 C VAL A 27 -0.739 5.741 -8.530 1.00 0.00 C ATOM 488 O VAL A 27 -1.254 4.654 -8.793 1.00 0.00 O ATOM 489 CB VAL A 27 -0.961 7.537 -10.248 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.420 8.966 -10.498 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.553 7.430 -10.344 1.00 0.00 C ATOM 0 H VAL A 27 -0.854 8.934 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.525 6.869 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.397 6.901 -11.018 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.065 9.297 -11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.509 9.008 -10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.015 9.619 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.881 7.782 -11.322 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.011 8.041 -9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.853 6.390 -10.213 1.00 0.00 H new ATOM 501 N TYR A 28 0.446 5.856 -7.940 1.00 0.00 N ATOM 502 CA TYR A 28 1.229 4.686 -7.563 1.00 0.00 C ATOM 503 C TYR A 28 0.587 3.958 -6.386 1.00 0.00 C ATOM 504 O TYR A 28 0.367 2.747 -6.435 1.00 0.00 O ATOM 505 CB TYR A 28 2.658 5.097 -7.204 1.00 0.00 C ATOM 506 CG TYR A 28 3.612 5.054 -8.376 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.499 5.960 -9.424 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.628 4.107 -8.436 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.368 5.923 -10.497 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.503 4.064 -9.504 1.00 0.00 C ATOM 511 CZ TYR A 28 5.369 4.974 -10.532 1.00 0.00 C ATOM 512 OH TYR A 28 6.237 4.935 -11.599 1.00 0.00 O ATOM 0 H TYR A 28 0.885 6.748 -7.713 1.00 0.00 H new ATOM 0 HA TYR A 28 1.256 4.008 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.645 6.107 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.030 4.439 -6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.718 6.706 -9.399 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.735 3.392 -7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.265 6.633 -11.304 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.287 3.322 -9.534 1.00 0.00 H new ATOM 0 HH TYR A 28 6.883 4.209 -11.469 1.00 0.00 H new ATOM 522 N TYR A 29 0.288 4.704 -5.328 1.00 0.00 N ATOM 523 CA TYR A 29 -0.327 4.131 -4.137 1.00 0.00 C ATOM 524 C TYR A 29 -1.609 3.384 -4.492 1.00 0.00 C ATOM 525 O TYR A 29 -1.768 2.210 -4.159 1.00 0.00 O ATOM 526 CB TYR A 29 -0.628 5.228 -3.115 1.00 0.00 C ATOM 527 CG TYR A 29 0.497 5.468 -2.135 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.841 4.506 -1.192 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.217 6.657 -2.149 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.868 4.721 -0.294 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.246 6.880 -1.256 1.00 0.00 C ATOM 532 CZ TYR A 29 2.568 5.909 -0.330 1.00 0.00 C ATOM 533 OH TYR A 29 3.592 6.128 0.562 1.00 0.00 O ATOM 0 H TYR A 29 0.462 5.707 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 29 0.376 3.421 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.842 6.157 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.529 4.961 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.296 3.574 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.967 7.420 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.122 3.963 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.796 7.809 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 29 3.539 5.472 1.288 1.00 0.00 H new ATOM 543 N GLN A 30 -2.520 4.075 -5.170 1.00 0.00 N ATOM 544 CA GLN A 30 -3.789 3.478 -5.570 1.00 0.00 C ATOM 545 C GLN A 30 -3.563 2.159 -6.301 1.00 0.00 C ATOM 546 O GLN A 30 -4.369 1.235 -6.198 1.00 0.00 O ATOM 547 CB GLN A 30 -4.571 4.443 -6.464 1.00 0.00 C ATOM 548 CG GLN A 30 -5.898 3.883 -6.948 1.00 0.00 C ATOM 549 CD GLN A 30 -6.530 2.933 -5.949 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.636 3.371 -4.700 1.00 0.00 O flip ATOM 551 NE2 GLN A 30 -6.918 1.817 -6.296 1.00 0.00 N flip ATOM 0 H GLN A 30 -2.403 5.048 -5.454 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.368 3.278 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.754 5.366 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.959 4.702 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.585 4.706 -7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.745 3.362 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.817 1.521 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.340 1.189 -5.613 1.00 0.00 H new ATOM 560 N GLY A 31 -2.461 2.078 -7.041 1.00 0.00 N ATOM 561 CA GLY A 31 -2.150 0.868 -7.778 1.00 0.00 C ATOM 562 C GLY A 31 -1.675 -0.254 -6.877 1.00 0.00 C ATOM 563 O GLY A 31 -2.106 -1.398 -7.018 1.00 0.00 O ATOM 0 H GLY A 31 -1.778 2.829 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.035 0.541 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.381 1.085 -8.519 1.00 0.00 H new ATOM 567 N VAL A 32 -0.781 0.073 -5.948 1.00 0.00 N ATOM 568 CA VAL A 32 -0.246 -0.917 -5.021 1.00 0.00 C ATOM 569 C VAL A 32 -1.352 -1.519 -4.162 1.00 0.00 C ATOM 570 O VAL A 32 -1.423 -2.736 -3.984 1.00 0.00 O ATOM 571 CB VAL A 32 0.826 -0.302 -4.101 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.332 -1.335 -3.106 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.972 0.264 -4.925 1.00 0.00 C ATOM 0 H VAL A 32 -0.413 1.015 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 32 0.210 -1.702 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 32 0.374 0.516 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.088 -0.883 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.502 -1.688 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.769 -2.176 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.720 0.695 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.425 -0.533 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.593 1.037 -5.593 1.00 0.00 H new ATOM 583 N LEU A 33 -2.215 -0.660 -3.630 1.00 0.00 N ATOM 584 CA LEU A 33 -3.320 -1.107 -2.789 1.00 0.00 C ATOM 585 C LEU A 33 -4.273 -2.005 -3.573 1.00 0.00 C ATOM 586 O LEU A 33 -4.787 -2.991 -3.045 1.00 0.00 O ATOM 587 CB LEU A 33 -4.080 0.096 -2.229 1.00 0.00 C ATOM 588 CG LEU A 33 -3.419 0.822 -1.057 1.00 0.00 C ATOM 589 CD1 LEU A 33 -2.823 -0.179 -0.079 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.351 1.782 -1.558 1.00 0.00 C ATOM 0 H LEU A 33 -2.171 0.350 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.904 -1.683 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.230 0.813 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.068 -0.239 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.181 1.400 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.357 0.355 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.611 -0.826 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.073 -0.784 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.891 2.290 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.589 1.226 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.806 2.519 -2.219 1.00 0.00 H new ATOM 602 N ASP A 34 -4.501 -1.658 -4.835 1.00 0.00 N ATOM 603 CA ASP A 34 -5.389 -2.434 -5.693 1.00 0.00 C ATOM 604 C ASP A 34 -4.789 -3.803 -5.998 1.00 0.00 C ATOM 605 O ASP A 34 -5.474 -4.822 -5.918 1.00 0.00 O ATOM 606 CB ASP A 34 -5.661 -1.680 -6.995 1.00 0.00 C ATOM 607 CG ASP A 34 -6.846 -0.741 -6.884 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.355 -0.559 -5.758 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.263 -0.187 -7.922 1.00 0.00 O ATOM 0 H ASP A 34 -4.083 -0.844 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.331 -2.580 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.775 -1.110 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.843 -2.397 -7.795 1.00 0.00 H new ATOM 614 N GLN A 35 -3.507 -3.817 -6.349 1.00 0.00 N ATOM 615 CA GLN A 35 -2.817 -5.061 -6.669 1.00 0.00 C ATOM 616 C GLN A 35 -2.652 -5.927 -5.424 1.00 0.00 C ATOM 617 O GLN A 35 -2.740 -7.152 -5.493 1.00 0.00 O ATOM 618 CB GLN A 35 -1.448 -4.765 -7.284 1.00 0.00 C ATOM 619 CG GLN A 35 -1.523 -4.007 -8.600 1.00 0.00 C ATOM 620 CD GLN A 35 -1.839 -4.910 -9.776 1.00 0.00 C ATOM 621 OE1 GLN A 35 -0.939 -5.466 -10.406 1.00 0.00 O ATOM 622 NE2 GLN A 35 -3.123 -5.060 -10.079 1.00 0.00 N ATOM 0 H GLN A 35 -2.926 -2.982 -6.419 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.422 -5.608 -7.392 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.858 -4.186 -6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.921 -5.705 -7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.287 -3.233 -8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.574 -3.502 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.836 -4.580 -9.530 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.396 -5.655 -10.861 1.00 0.00 H new ATOM 631 N MET A 36 -2.411 -5.281 -4.288 1.00 0.00 N ATOM 632 CA MET A 36 -2.235 -5.993 -3.027 1.00 0.00 C ATOM 633 C MET A 36 -3.455 -6.852 -2.713 1.00 0.00 C ATOM 634 O MET A 36 -3.328 -8.033 -2.393 1.00 0.00 O ATOM 635 CB MET A 36 -1.986 -5.003 -1.888 1.00 0.00 C ATOM 636 CG MET A 36 -0.516 -4.683 -1.671 1.00 0.00 C ATOM 637 SD MET A 36 -0.233 -3.680 -0.199 1.00 0.00 S ATOM 638 CE MET A 36 -0.434 -4.907 1.091 1.00 0.00 C ATOM 0 H MET A 36 -2.333 -4.267 -4.214 1.00 0.00 H new ATOM 0 HA MET A 36 -1.368 -6.647 -3.126 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.524 -4.078 -2.097 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.401 -5.411 -0.966 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.046 -5.613 -1.585 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.130 -4.157 -2.544 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.124 -4.531 1.846 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.833 -5.826 0.660 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.532 -5.112 1.552 1.00 0.00 H new ATOM 648 N ASN A 37 -4.637 -6.250 -2.804 1.00 0.00 N ATOM 649 CA ASN A 37 -5.880 -6.961 -2.528 1.00 0.00 C ATOM 650 C ASN A 37 -5.983 -8.226 -3.374 1.00 0.00 C ATOM 651 O ASN A 37 -6.310 -9.300 -2.869 1.00 0.00 O ATOM 652 CB ASN A 37 -7.081 -6.053 -2.800 1.00 0.00 C ATOM 653 CG ASN A 37 -7.528 -5.299 -1.562 1.00 0.00 C ATOM 654 OD1 ASN A 37 -8.006 -5.895 -0.597 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.373 -3.980 -1.586 1.00 0.00 N ATOM 0 H ASN A 37 -4.760 -5.272 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.880 -7.248 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.824 -5.340 -3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.910 -6.654 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.655 -3.419 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.972 -3.528 -2.408 1.00 0.00 H new ATOM 662 N LYS A 38 -5.700 -8.093 -4.666 1.00 0.00 N ATOM 663 CA LYS A 38 -5.758 -9.224 -5.584 1.00 0.00 C ATOM 664 C LYS A 38 -4.942 -10.398 -5.052 1.00 0.00 C ATOM 665 O LYS A 38 -5.359 -11.552 -5.153 1.00 0.00 O ATOM 666 CB LYS A 38 -5.242 -8.814 -6.965 1.00 0.00 C ATOM 667 CG LYS A 38 -6.057 -7.710 -7.615 1.00 0.00 C ATOM 668 CD LYS A 38 -5.367 -7.164 -8.854 1.00 0.00 C ATOM 669 CE LYS A 38 -5.693 -7.995 -10.086 1.00 0.00 C ATOM 670 NZ LYS A 38 -6.908 -7.496 -10.786 1.00 0.00 N ATOM 0 H LYS A 38 -5.428 -7.211 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.799 -9.537 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.207 -8.485 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.242 -9.687 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.041 -8.093 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.214 -6.903 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.675 -6.132 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.289 -7.153 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.846 -7.976 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.843 -9.034 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.096 -8.089 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.722 -7.538 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.755 -6.513 -11.088 1.00 0.00 H new ATOM 684 N TYR A 39 -3.780 -10.096 -4.485 1.00 0.00 N ATOM 685 CA TYR A 39 -2.905 -11.127 -3.938 1.00 0.00 C ATOM 686 C TYR A 39 -3.570 -11.838 -2.764 1.00 0.00 C ATOM 687 O TYR A 39 -3.594 -13.068 -2.700 1.00 0.00 O ATOM 688 CB TYR A 39 -1.577 -10.514 -3.492 1.00 0.00 C ATOM 689 CG TYR A 39 -0.536 -11.540 -3.107 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.660 -12.281 -1.938 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.573 -11.770 -3.913 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.289 -13.219 -1.582 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.526 -12.708 -3.566 1.00 0.00 C ATOM 694 CZ TYR A 39 1.380 -13.429 -2.399 1.00 0.00 C ATOM 695 OH TYR A 39 2.328 -14.364 -2.049 1.00 0.00 O ATOM 0 H TYR A 39 -3.421 -9.146 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.714 -11.860 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.184 -9.894 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.758 -9.855 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.514 -12.120 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.692 -11.206 -4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.177 -13.785 -0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.381 -12.876 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 39 3.030 -14.389 -2.732 1.00 0.00 H new ATOM 705 N LEU A 40 -4.110 -11.056 -1.835 1.00 0.00 N ATOM 706 CA LEU A 40 -4.777 -11.609 -0.662 1.00 0.00 C ATOM 707 C LEU A 40 -6.026 -12.387 -1.062 1.00 0.00 C ATOM 708 O LEU A 40 -6.360 -13.403 -0.451 1.00 0.00 O ATOM 709 CB LEU A 40 -5.148 -10.490 0.313 1.00 0.00 C ATOM 710 CG LEU A 40 -4.230 -9.268 0.313 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.554 -8.357 1.487 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.770 -9.697 0.356 1.00 0.00 C ATOM 0 H LEU A 40 -4.099 -10.037 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.087 -12.295 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.161 -10.158 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.167 -10.905 1.321 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.398 -8.712 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.890 -7.492 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.589 -8.022 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.416 -8.903 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.131 -8.814 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.587 -10.276 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.545 -10.308 -0.518 1.00 0.00 H new ATOM 724 N TYR A 41 -6.713 -11.905 -2.092 1.00 0.00 N ATOM 725 CA TYR A 41 -7.926 -12.554 -2.573 1.00 0.00 C ATOM 726 C TYR A 41 -7.590 -13.799 -3.388 1.00 0.00 C ATOM 727 O TYR A 41 -8.475 -14.575 -3.751 1.00 0.00 O ATOM 728 CB TYR A 41 -8.748 -11.582 -3.421 1.00 0.00 C ATOM 729 CG TYR A 41 -10.239 -11.821 -3.343 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.830 -12.878 -4.025 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.056 -10.991 -2.586 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.191 -13.100 -3.957 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.419 -11.206 -2.511 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.982 -12.261 -3.198 1.00 0.00 C ATOM 735 OH TYR A 41 -14.338 -12.480 -3.126 1.00 0.00 O ATOM 0 H TYR A 41 -6.450 -11.067 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.514 -12.856 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.535 -10.563 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.430 -11.661 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.214 -13.537 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.619 -10.164 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.634 -13.925 -4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.040 -10.551 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.749 -11.802 -2.550 1.00 0.00 H new ATOM 745 N SER A 42 -6.305 -13.984 -3.672 1.00 0.00 N ATOM 746 CA SER A 42 -5.851 -15.133 -4.447 1.00 0.00 C ATOM 747 C SER A 42 -5.295 -16.220 -3.531 1.00 0.00 C ATOM 748 O SER A 42 -5.485 -17.412 -3.777 1.00 0.00 O ATOM 749 CB SER A 42 -4.783 -14.705 -5.455 1.00 0.00 C ATOM 750 OG SER A 42 -5.371 -14.297 -6.678 1.00 0.00 O ATOM 0 H SER A 42 -5.560 -13.353 -3.377 1.00 0.00 H new ATOM 0 HA SER A 42 -6.707 -15.538 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.194 -13.887 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.097 -15.532 -5.636 1.00 0.00 H new ATOM 0 HG SER A 42 -5.585 -13.342 -6.635 1.00 0.00 H new ATOM 756 N VAL A 43 -4.607 -15.801 -2.474 1.00 0.00 N ATOM 757 CA VAL A 43 -4.024 -16.737 -1.521 1.00 0.00 C ATOM 758 C VAL A 43 -5.095 -17.341 -0.619 1.00 0.00 C ATOM 759 O VAL A 43 -5.755 -16.632 0.141 1.00 0.00 O ATOM 760 CB VAL A 43 -2.956 -16.054 -0.645 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.523 -14.805 0.011 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.427 -17.023 0.401 1.00 0.00 C ATOM 0 H VAL A 43 -4.440 -14.819 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.553 -17.530 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.124 -15.754 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.755 -14.336 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.849 -14.106 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.373 -15.077 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.674 -16.524 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.247 -17.355 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.980 -17.885 -0.094 1.00 0.00 H new ATOM 772 N LYS A 44 -5.263 -18.656 -0.708 1.00 0.00 N ATOM 773 CA LYS A 44 -6.252 -19.358 0.101 1.00 0.00 C ATOM 774 C LYS A 44 -5.930 -19.230 1.587 1.00 0.00 C ATOM 775 O LYS A 44 -6.821 -19.009 2.408 1.00 0.00 O ATOM 776 CB LYS A 44 -6.308 -20.835 -0.294 1.00 0.00 C ATOM 777 CG LYS A 44 -6.968 -21.081 -1.640 1.00 0.00 C ATOM 778 CD LYS A 44 -8.483 -21.014 -1.538 1.00 0.00 C ATOM 779 CE LYS A 44 -9.131 -20.955 -2.913 1.00 0.00 C ATOM 780 NZ LYS A 44 -10.615 -21.056 -2.831 1.00 0.00 N ATOM 0 H LYS A 44 -4.726 -19.257 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.225 -18.902 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.294 -21.235 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.850 -21.387 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.618 -20.340 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.671 -22.059 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.851 -21.886 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.772 -20.136 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.857 -20.021 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.745 -21.765 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.019 -21.012 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.877 -21.958 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.986 -20.268 -2.262 1.00 0.00 H new ATOM 794 N ASP A 45 -4.653 -19.368 1.925 1.00 0.00 N ATOM 795 CA ASP A 45 -4.214 -19.265 3.311 1.00 0.00 C ATOM 796 C ASP A 45 -4.782 -18.012 3.970 1.00 0.00 C ATOM 797 O ASP A 45 -4.158 -16.950 3.954 1.00 0.00 O ATOM 798 CB ASP A 45 -2.686 -19.246 3.385 1.00 0.00 C ATOM 799 CG ASP A 45 -2.163 -19.778 4.705 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.241 -21.005 4.923 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.675 -18.967 5.519 1.00 0.00 O ATOM 0 H ASP A 45 -3.904 -19.552 1.258 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.586 -20.137 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.278 -19.843 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.331 -18.225 3.242 1.00 0.00 H new ATOM 806 N THR A 46 -5.972 -18.142 4.549 1.00 0.00 N ATOM 807 CA THR A 46 -6.626 -17.020 5.211 1.00 0.00 C ATOM 808 C THR A 46 -5.690 -16.348 6.209 1.00 0.00 C ATOM 809 O THR A 46 -5.746 -15.134 6.407 1.00 0.00 O ATOM 810 CB THR A 46 -7.904 -17.469 5.945 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.632 -18.632 6.735 1.00 0.00 O ATOM 812 CG2 THR A 46 -9.019 -17.771 4.956 1.00 0.00 C ATOM 0 H THR A 46 -6.502 -19.013 4.573 1.00 0.00 H new ATOM 0 HA THR A 46 -6.894 -16.306 4.432 1.00 0.00 H new ATOM 0 HB THR A 46 -8.228 -16.656 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.449 -18.910 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.911 -18.086 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.244 -16.876 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.703 -18.568 4.283 1.00 0.00 H new ATOM 820 N HIS A 47 -4.829 -17.145 6.834 1.00 0.00 N ATOM 821 CA HIS A 47 -3.878 -16.626 7.811 1.00 0.00 C ATOM 822 C HIS A 47 -2.805 -15.781 7.130 1.00 0.00 C ATOM 823 O HIS A 47 -2.258 -14.854 7.728 1.00 0.00 O ATOM 824 CB HIS A 47 -3.227 -17.775 8.581 1.00 0.00 C ATOM 825 CG HIS A 47 -4.160 -18.467 9.527 1.00 0.00 C ATOM 826 ND1 HIS A 47 -4.994 -19.495 9.144 1.00 0.00 N ATOM 827 CD2 HIS A 47 -4.385 -18.273 10.848 1.00 0.00 C ATOM 828 CE1 HIS A 47 -5.694 -19.903 10.187 1.00 0.00 C ATOM 829 NE2 HIS A 47 -5.343 -19.178 11.234 1.00 0.00 N ATOM 0 H HIS A 47 -4.770 -18.152 6.682 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.423 -15.993 8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.838 -18.503 7.870 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.375 -17.389 9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.901 -17.543 11.480 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.429 -20.695 10.184 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.722 -19.275 12.176 1.00 0.00 H new ATOM 838 N LEU A 48 -2.509 -16.109 5.877 1.00 0.00 N ATOM 839 CA LEU A 48 -1.501 -15.381 5.114 1.00 0.00 C ATOM 840 C LEU A 48 -2.011 -14.000 4.715 1.00 0.00 C ATOM 841 O LEU A 48 -1.362 -12.988 4.978 1.00 0.00 O ATOM 842 CB LEU A 48 -1.108 -16.173 3.866 1.00 0.00 C ATOM 843 CG LEU A 48 0.106 -15.652 3.096 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.737 -16.768 2.276 1.00 0.00 C ATOM 845 CD2 LEU A 48 -0.289 -14.488 2.200 1.00 0.00 C ATOM 0 H LEU A 48 -2.952 -16.874 5.368 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.623 -15.254 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.911 -17.204 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.962 -16.193 3.189 1.00 0.00 H new ATOM 0 HG LEU A 48 0.843 -15.296 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.599 -16.379 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.057 -17.571 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.007 -17.155 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.588 -14.131 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.045 -14.818 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.694 -13.680 2.810 1.00 0.00 H new ATOM 857 N ARG A 49 -3.179 -13.967 4.082 1.00 0.00 N ATOM 858 CA ARG A 49 -3.777 -12.711 3.648 1.00 0.00 C ATOM 859 C ARG A 49 -4.099 -11.820 4.844 1.00 0.00 C ATOM 860 O ARG A 49 -4.073 -10.594 4.741 1.00 0.00 O ATOM 861 CB ARG A 49 -5.049 -12.979 2.841 1.00 0.00 C ATOM 862 CG ARG A 49 -5.886 -14.125 3.386 1.00 0.00 C ATOM 863 CD ARG A 49 -7.357 -13.956 3.038 1.00 0.00 C ATOM 864 NE ARG A 49 -8.006 -12.953 3.878 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.317 -12.741 3.889 1.00 0.00 C ATOM 866 NH1 ARG A 49 -10.115 -13.459 3.110 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.834 -11.810 4.680 1.00 0.00 N ATOM 0 H ARG A 49 -3.730 -14.796 3.858 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.056 -12.194 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.656 -12.074 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.775 -13.199 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.521 -15.068 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.771 -14.178 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.451 -13.668 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.869 -14.911 3.153 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.420 -12.384 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.722 -14.176 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.122 -13.294 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.224 -11.256 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.841 -11.649 4.687 1.00 0.00 H new ATOM 881 N GLN A 50 -4.402 -12.445 5.977 1.00 0.00 N ATOM 882 CA GLN A 50 -4.729 -11.709 7.192 1.00 0.00 C ATOM 883 C GLN A 50 -3.559 -10.835 7.631 1.00 0.00 C ATOM 884 O GLN A 50 -3.751 -9.723 8.124 1.00 0.00 O ATOM 885 CB GLN A 50 -5.108 -12.677 8.314 1.00 0.00 C ATOM 886 CG GLN A 50 -6.013 -12.061 9.369 1.00 0.00 C ATOM 887 CD GLN A 50 -5.338 -10.943 10.138 1.00 0.00 C ATOM 888 OE1 GLN A 50 -5.810 -9.806 10.145 1.00 0.00 O ATOM 889 NE2 GLN A 50 -4.225 -11.260 10.790 1.00 0.00 N ATOM 0 H GLN A 50 -4.428 -13.460 6.079 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.580 -11.063 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.606 -13.544 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.198 -13.038 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.913 -11.675 8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.331 -12.836 10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.869 -12.215 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.726 -10.548 11.324 1.00 0.00 H new ATOM 898 N LYS A 51 -2.346 -11.345 7.449 1.00 0.00 N ATOM 899 CA LYS A 51 -1.143 -10.612 7.825 1.00 0.00 C ATOM 900 C LYS A 51 -0.953 -9.386 6.938 1.00 0.00 C ATOM 901 O LYS A 51 -0.611 -8.306 7.420 1.00 0.00 O ATOM 902 CB LYS A 51 0.085 -11.520 7.728 1.00 0.00 C ATOM 903 CG LYS A 51 1.396 -10.802 7.994 1.00 0.00 C ATOM 904 CD LYS A 51 1.559 -10.466 9.467 1.00 0.00 C ATOM 905 CE LYS A 51 2.096 -11.652 10.253 1.00 0.00 C ATOM 906 NZ LYS A 51 1.637 -11.632 11.669 1.00 0.00 N ATOM 0 H LYS A 51 -2.170 -12.264 7.043 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.259 -10.278 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.022 -12.339 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.120 -11.965 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.227 -11.428 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.436 -9.886 7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.237 -9.619 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.598 -10.160 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.772 -12.579 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.186 -11.644 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.024 -12.456 12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.968 -10.760 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.598 -11.666 11.698 1.00 0.00 H new ATOM 920 N TRP A 52 -1.178 -9.560 5.641 1.00 0.00 N ATOM 921 CA TRP A 52 -1.033 -8.466 4.687 1.00 0.00 C ATOM 922 C TRP A 52 -2.175 -7.466 4.827 1.00 0.00 C ATOM 923 O TRP A 52 -1.985 -6.265 4.640 1.00 0.00 O ATOM 924 CB TRP A 52 -0.988 -9.011 3.258 1.00 0.00 C ATOM 925 CG TRP A 52 0.273 -9.757 2.946 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.377 -11.051 2.519 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.611 -9.255 3.038 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.698 -11.383 2.340 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.475 -10.299 2.651 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.163 -8.026 3.408 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.859 -10.148 2.626 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.537 -7.878 3.382 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.372 -8.933 2.993 1.00 0.00 C ATOM 0 H TRP A 52 -1.461 -10.447 5.226 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.097 -7.951 4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.841 -9.672 3.102 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.094 -8.183 2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.457 -11.715 2.347 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.044 -12.290 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.527 -7.206 3.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.505 -10.961 2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.974 -6.932 3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.442 -8.785 2.982 1.00 0.00 H new ATOM 944 N GLN A 53 -3.359 -7.970 5.158 1.00 0.00 N ATOM 945 CA GLN A 53 -4.531 -7.118 5.323 1.00 0.00 C ATOM 946 C GLN A 53 -4.265 -6.017 6.344 1.00 0.00 C ATOM 947 O GLN A 53 -4.623 -4.859 6.128 1.00 0.00 O ATOM 948 CB GLN A 53 -5.737 -7.953 5.759 1.00 0.00 C ATOM 949 CG GLN A 53 -7.049 -7.185 5.736 1.00 0.00 C ATOM 950 CD GLN A 53 -8.234 -8.042 6.136 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.117 -9.261 6.264 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.383 -7.408 6.336 1.00 0.00 N ATOM 0 H GLN A 53 -3.532 -8.962 5.317 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.748 -6.652 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.822 -8.821 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.563 -8.329 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.978 -6.332 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.215 -6.787 4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.434 -6.396 6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.215 -7.933 6.607 1.00 0.00 H new ATOM 961 N GLN A 54 -3.636 -6.386 7.455 1.00 0.00 N ATOM 962 CA GLN A 54 -3.323 -5.428 8.509 1.00 0.00 C ATOM 963 C GLN A 54 -2.423 -4.315 7.984 1.00 0.00 C ATOM 964 O GLN A 54 -2.613 -3.143 8.309 1.00 0.00 O ATOM 965 CB GLN A 54 -2.647 -6.135 9.685 1.00 0.00 C ATOM 966 CG GLN A 54 -2.529 -5.270 10.929 1.00 0.00 C ATOM 967 CD GLN A 54 -2.211 -6.076 12.173 1.00 0.00 C ATOM 968 OE1 GLN A 54 -2.469 -7.278 12.230 1.00 0.00 O ATOM 969 NE2 GLN A 54 -1.648 -5.416 13.178 1.00 0.00 N ATOM 0 H GLN A 54 -3.333 -7.341 7.649 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.258 -4.983 8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.212 -7.035 9.930 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.651 -6.457 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.750 -4.524 10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.463 -4.729 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.452 -4.419 13.087 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.412 -5.906 14.041 1.00 0.00 H new ATOM 978 N VAL A 55 -1.441 -4.689 7.169 1.00 0.00 N ATOM 979 CA VAL A 55 -0.511 -3.723 6.598 1.00 0.00 C ATOM 980 C VAL A 55 -1.177 -2.903 5.498 1.00 0.00 C ATOM 981 O VAL A 55 -0.906 -1.712 5.348 1.00 0.00 O ATOM 982 CB VAL A 55 0.737 -4.417 6.021 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.662 -3.400 5.372 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.464 -5.193 7.109 1.00 0.00 C ATOM 0 H VAL A 55 -1.270 -5.655 6.890 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.207 -3.060 7.408 1.00 0.00 H new ATOM 0 HB VAL A 55 0.418 -5.122 5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.538 -3.909 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.135 -2.892 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.977 -2.668 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.343 -5.677 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.773 -4.509 7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.798 -5.949 7.523 1.00 0.00 H new ATOM 994 N TRP A 56 -2.049 -3.549 4.733 1.00 0.00 N ATOM 995 CA TRP A 56 -2.755 -2.880 3.646 1.00 0.00 C ATOM 996 C TRP A 56 -3.458 -1.623 4.147 1.00 0.00 C ATOM 997 O TRP A 56 -3.394 -0.571 3.511 1.00 0.00 O ATOM 998 CB TRP A 56 -3.772 -3.829 3.010 1.00 0.00 C ATOM 999 CG TRP A 56 -4.512 -3.220 1.858 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.147 -3.248 0.542 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.744 -2.493 1.919 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.077 -2.581 -0.218 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.067 -2.109 0.603 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.606 -2.130 2.957 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.214 -1.380 0.300 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.744 -1.406 2.655 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -8.040 -1.038 1.336 1.00 0.00 C ATOM 0 H TRP A 56 -2.284 -4.535 4.845 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.021 -2.589 2.894 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.257 -4.726 2.668 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.489 -4.143 3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.258 -3.724 0.156 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.037 -2.457 -1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.387 -2.410 3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.443 -1.095 -0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.417 -1.119 3.450 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.938 -0.473 1.133 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.128 -1.740 5.289 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.843 -0.611 5.873 1.00 0.00 C ATOM 1020 C GLN A 57 -3.906 0.571 6.097 1.00 0.00 C ATOM 1021 O GLN A 57 -4.266 1.718 5.835 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.492 -1.021 7.196 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.604 -2.045 7.038 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.047 -2.635 8.362 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -6.824 -3.815 8.634 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.680 -1.816 9.194 1.00 0.00 N ATOM 0 H GLN A 57 -4.191 -2.604 5.828 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.621 -0.306 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.726 -1.428 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.894 -0.133 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.458 -1.576 6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.264 -2.847 6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.844 -0.845 8.928 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.003 -2.158 10.099 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.703 0.282 6.583 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.715 1.322 6.843 1.00 0.00 C ATOM 1037 C GLU A 58 -1.252 1.971 5.541 1.00 0.00 C ATOM 1038 O GLU A 58 -1.164 3.195 5.443 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.513 0.740 7.590 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.769 0.513 9.071 1.00 0.00 C ATOM 1041 CD GLU A 58 -0.485 1.745 9.907 1.00 0.00 C ATOM 1042 OE1 GLU A 58 -0.701 2.867 9.404 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -0.047 1.587 11.066 1.00 0.00 O ATOM 0 H GLU A 58 -2.389 -0.663 6.804 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.184 2.086 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.233 -0.207 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.336 1.414 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.807 0.212 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.147 -0.311 9.421 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.958 1.141 4.546 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.505 1.634 3.251 1.00 0.00 C ATOM 1052 C ILE A 59 -1.547 2.549 2.616 1.00 0.00 C ATOM 1053 O ILE A 59 -1.206 3.511 1.929 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.199 0.475 2.284 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.855 -0.456 2.886 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.269 1.015 0.941 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.093 -1.708 2.071 1.00 0.00 C ATOM 0 H ILE A 59 -1.025 0.125 4.611 1.00 0.00 H new ATOM 0 HA ILE A 59 0.410 2.199 3.430 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.113 -0.097 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.795 0.088 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.545 -0.740 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.481 0.184 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.511 1.641 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.173 1.607 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.852 -2.320 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.165 -2.274 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.434 -1.433 1.073 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.818 2.242 2.852 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.911 3.038 2.304 1.00 0.00 C ATOM 1071 C ASN A 60 -4.027 4.375 3.030 1.00 0.00 C ATOM 1072 O ASN A 60 -4.346 5.398 2.423 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.231 2.272 2.409 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.424 3.194 2.565 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.685 3.621 3.795 1.00 0.00 O flip ATOM 1076 ND2 ASN A 60 -7.103 3.519 1.591 1.00 0.00 N flip ATOM 0 H ASN A 60 -3.117 1.448 3.419 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.694 3.232 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.364 1.658 1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.187 1.592 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.866 3.167 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.903 4.141 1.711 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.764 4.360 4.333 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.838 5.570 5.142 1.00 0.00 C ATOM 1085 C VAL A 61 -2.711 6.536 4.789 1.00 0.00 C ATOM 1086 O VAL A 61 -2.953 7.705 4.495 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.769 5.246 6.646 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.695 6.525 7.466 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.964 4.402 7.064 1.00 0.00 C ATOM 0 H VAL A 61 -3.498 3.522 4.851 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.797 6.039 4.923 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.863 4.670 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.647 6.275 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.804 7.087 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.581 7.131 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.899 4.182 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.885 4.949 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.965 3.469 6.501 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.480 6.037 4.822 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.316 6.856 4.506 1.00 0.00 C ATOM 1101 C GLU A 62 -0.492 7.556 3.161 1.00 0.00 C ATOM 1102 O GLU A 62 -0.151 8.729 3.011 1.00 0.00 O ATOM 1103 CB GLU A 62 0.950 5.996 4.484 1.00 0.00 C ATOM 1104 CG GLU A 62 0.900 4.866 3.470 1.00 0.00 C ATOM 1105 CD GLU A 62 2.064 3.904 3.611 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.293 3.411 4.735 1.00 0.00 O ATOM 1107 OE2 GLU A 62 2.745 3.644 2.596 1.00 0.00 O ATOM 0 H GLU A 62 -1.263 5.070 5.064 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.217 7.616 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.808 6.632 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.111 5.575 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.035 4.319 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.900 5.285 2.464 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.026 6.827 2.187 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.249 7.377 0.856 1.00 0.00 C ATOM 1116 C ALA A 63 -2.203 8.566 0.906 1.00 0.00 C ATOM 1117 O ALA A 63 -2.105 9.489 0.097 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.790 6.303 -0.076 1.00 0.00 C ATOM 0 H ALA A 63 -1.312 5.854 2.295 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.292 7.728 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.952 6.728 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.072 5.486 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.734 5.924 0.315 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.127 8.537 1.860 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.099 9.612 2.017 1.00 0.00 C ATOM 1126 C LYS A 64 -3.433 10.874 2.556 1.00 0.00 C ATOM 1127 O LYS A 64 -3.689 11.976 2.072 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.226 9.176 2.957 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.550 9.866 2.680 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.670 11.172 3.447 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.178 10.942 4.863 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.664 10.993 4.934 1.00 0.00 N ATOM 0 H LYS A 64 -3.223 7.780 2.537 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.518 9.834 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.363 8.098 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.928 9.379 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.643 10.061 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.371 9.204 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.698 11.665 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.348 11.844 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.830 9.973 5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.757 11.697 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.970 10.832 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.995 11.927 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.066 10.256 4.320 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.579 10.704 3.560 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.876 11.830 4.163 1.00 0.00 C ATOM 1148 C GLN A 65 -1.128 12.635 3.106 1.00 0.00 C ATOM 1149 O GLN A 65 -1.156 13.865 3.113 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.898 11.335 5.231 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.566 10.558 6.354 1.00 0.00 C ATOM 1152 CD GLN A 65 -2.646 11.357 7.055 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -2.581 12.585 7.123 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -3.649 10.663 7.581 1.00 0.00 N ATOM 0 H GLN A 65 -2.357 9.798 3.973 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.616 12.479 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.147 10.702 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.372 12.191 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.001 9.644 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.812 10.258 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.663 9.646 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.406 11.147 8.065 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.459 11.932 2.197 1.00 0.00 N ATOM 1164 CA VAL A 66 0.296 12.581 1.132 1.00 0.00 C ATOM 1165 C VAL A 66 -0.580 13.555 0.353 1.00 0.00 C ATOM 1166 O VAL A 66 -0.113 14.599 -0.104 1.00 0.00 O ATOM 1167 CB VAL A 66 0.890 11.548 0.156 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.533 12.246 -1.033 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.897 10.659 0.870 1.00 0.00 C ATOM 0 H VAL A 66 -0.425 10.913 2.177 1.00 0.00 H new ATOM 0 HA VAL A 66 1.109 13.129 1.608 1.00 0.00 H new ATOM 0 HB VAL A 66 0.082 10.918 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.947 11.501 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.782 12.837 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.331 12.901 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.307 9.935 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.704 11.272 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.403 10.132 1.686 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.854 13.208 0.204 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.798 14.052 -0.519 1.00 0.00 C ATOM 1181 C LYS A 67 -3.010 15.377 0.207 1.00 0.00 C ATOM 1182 O LYS A 67 -3.238 16.411 -0.422 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.136 13.330 -0.685 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.129 13.625 0.426 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.004 14.821 0.089 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.112 14.444 -0.883 1.00 0.00 C ATOM 1187 NZ LYS A 67 -8.281 13.840 -0.186 1.00 0.00 N ATOM 0 H LYS A 67 -2.257 12.347 0.575 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.380 14.260 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.577 13.615 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.957 12.256 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.757 12.750 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.591 13.817 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.441 15.222 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.391 15.611 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.433 15.331 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.725 13.740 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.014 13.597 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.980 12.979 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.667 14.521 0.499 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.930 15.339 1.532 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.111 16.537 2.344 1.00 0.00 C ATOM 1203 C ASP A 68 -1.841 17.382 2.356 1.00 0.00 C ATOM 1204 O ASP A 68 -1.878 18.581 2.078 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.500 16.157 3.773 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.448 17.340 4.721 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -3.963 18.417 4.354 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -2.892 17.189 5.829 1.00 0.00 O ATOM 0 H ASP A 68 -2.741 14.492 2.067 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.914 17.127 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.507 15.739 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.830 15.376 4.134 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.719 16.749 2.681 1.00 0.00 N ATOM 1214 CA ILE A 69 0.563 17.442 2.729 1.00 0.00 C ATOM 1215 C ILE A 69 0.859 18.142 1.407 1.00 0.00 C ATOM 1216 O ILE A 69 1.642 19.090 1.357 1.00 0.00 O ATOM 1217 CB ILE A 69 1.715 16.473 3.053 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.143 15.715 1.794 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.298 15.501 4.147 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.339 14.814 2.009 1.00 0.00 C ATOM 0 H ILE A 69 -0.671 15.757 2.915 1.00 0.00 H new ATOM 0 HA ILE A 69 0.490 18.185 3.523 1.00 0.00 H new ATOM 0 HB ILE A 69 2.566 17.051 3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.305 15.115 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.376 16.434 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.123 14.823 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.038 16.057 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.434 14.926 3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.586 14.309 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.191 15.411 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.103 14.072 2.772 1.00 0.00 H new ATOM 1232 N MET A 70 0.225 17.670 0.339 1.00 0.00 N ATOM 1233 CA MET A 70 0.419 18.254 -0.984 1.00 0.00 C ATOM 1234 C MET A 70 -0.573 19.386 -1.229 1.00 0.00 C ATOM 1235 O MET A 70 -1.697 19.360 -0.726 1.00 0.00 O ATOM 1236 CB MET A 70 0.265 17.182 -2.065 1.00 0.00 C ATOM 1237 CG MET A 70 -1.180 16.795 -2.336 1.00 0.00 C ATOM 1238 SD MET A 70 -1.438 16.213 -4.023 1.00 0.00 S ATOM 1239 CE MET A 70 -3.087 15.527 -3.896 1.00 0.00 C ATOM 0 H MET A 70 -0.427 16.886 0.363 1.00 0.00 H new ATOM 0 HA MET A 70 1.428 18.663 -1.029 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.715 17.543 -2.990 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.820 16.293 -1.766 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.480 16.015 -1.637 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.823 17.655 -2.150 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.042 14.446 -4.025 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.503 15.759 -2.916 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.721 15.958 -4.670 1.00 0.00 H new