USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 13 ASN : amide:sc= -1.58! X(o=-0.55!,f=-0.53) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.133) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -137:sc= 2.22 (180deg=-0.295) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 10 TYR OH : rot 124:sc= 0.424 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0987 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.000702 K(o=-0.0007,f=-0.89) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.35) USER MOD Single : A 33 CYS SG : rot 26:sc= 0.0667 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 0.565 (180deg=0.383) USER MOD Single : A 35 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.13) USER MOD Single : A 36 CYS SG : rot 36:sc= 0.00699 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0378 (180deg=-0.269) USER MOD Single : A 38 MET CE :methyl 162:sc= -0.0742 (180deg=-0.515) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -170:sc= -2.9! USER MOD Single : A 54 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.7) USER MOD Single : A 56 HIS : no HE2:sc= 0.739 K(o=0.74,f=-2.7!) USER MOD Single : A 58 HIS : no HE2:sc= 0.584 K(o=0.58,f=-3.8!) USER MOD Single : A 66 MET CE :methyl 163:sc= -0.186 (180deg=-0.799) USER MOD Single : A 67 ASN : amide:sc= 0.295 K(o=0.3,f=-4.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -155:sc= 0 (180deg=-0.166) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0.691 (180deg=0.305) USER MOD Single : A 79 ASN : amide:sc= -1.95 K(o=-2,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -6.143 -12.571 -0.705 1.00 0.00 N ATOM 63 CA MET A 5 -5.399 -11.709 0.199 1.00 0.00 C ATOM 64 C MET A 5 -5.733 -10.243 -0.063 1.00 0.00 C ATOM 65 O MET A 5 -4.958 -9.529 -0.700 1.00 0.00 O ATOM 66 CB MET A 5 -3.900 -11.932 0.010 1.00 0.00 C ATOM 67 CG MET A 5 -3.423 -13.299 0.458 1.00 0.00 C ATOM 68 SD MET A 5 -3.308 -13.435 2.253 1.00 0.00 S ATOM 69 CE MET A 5 -2.692 -15.108 2.429 1.00 0.00 C ATOM 0 HA MET A 5 -5.679 -11.956 1.223 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.652 -11.798 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.356 -11.168 0.565 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.107 -14.060 0.082 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.447 -13.502 0.018 1.00 0.00 H new ATOM 0 HE1 MET A 5 -2.569 -15.341 3.487 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.402 -15.806 1.984 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.730 -15.197 1.923 1.00 0.00 H new ATOM 79 N PRO A 6 -6.890 -9.774 0.426 1.00 0.00 N ATOM 80 CA PRO A 6 -7.328 -8.389 0.231 1.00 0.00 C ATOM 81 C PRO A 6 -6.306 -7.389 0.754 1.00 0.00 C ATOM 82 O PRO A 6 -6.127 -7.233 1.961 1.00 0.00 O ATOM 83 CB PRO A 6 -8.624 -8.296 1.039 1.00 0.00 C ATOM 84 CG PRO A 6 -9.093 -9.701 1.188 1.00 0.00 C ATOM 85 CD PRO A 6 -7.857 -10.553 1.211 1.00 0.00 C ATOM 0 HA PRO A 6 -7.457 -8.150 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.450 -7.834 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.366 -7.686 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.668 -9.824 2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.746 -9.984 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.505 -10.722 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.037 -11.533 0.769 1.00 0.00 H new ATOM 93 N LYS A 7 -5.607 -6.737 -0.156 1.00 0.00 N ATOM 94 CA LYS A 7 -4.601 -5.760 0.222 1.00 0.00 C ATOM 95 C LYS A 7 -5.162 -4.347 0.052 1.00 0.00 C ATOM 96 O LYS A 7 -4.507 -3.352 0.372 1.00 0.00 O ATOM 97 CB LYS A 7 -3.342 -5.965 -0.628 1.00 0.00 C ATOM 98 CG LYS A 7 -2.120 -5.195 -0.148 1.00 0.00 C ATOM 99 CD LYS A 7 -0.873 -5.588 -0.932 1.00 0.00 C ATOM 100 CE LYS A 7 -1.033 -5.296 -2.416 1.00 0.00 C ATOM 101 NZ LYS A 7 -1.039 -3.837 -2.702 1.00 0.00 N ATOM 0 H LYS A 7 -5.717 -6.865 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.332 -5.893 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.101 -7.028 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.561 -5.670 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.297 -4.125 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.960 -5.387 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.012 -5.044 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.671 -6.650 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.221 -5.770 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.962 -5.739 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.785 -3.622 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.220 -3.312 -1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.116 -3.555 -3.090 1.00 0.00 H new ATOM 115 N THR A 8 -6.388 -4.280 -0.450 1.00 0.00 N ATOM 116 CA THR A 8 -7.093 -3.023 -0.623 1.00 0.00 C ATOM 117 C THR A 8 -8.218 -2.919 0.404 1.00 0.00 C ATOM 118 O THR A 8 -8.883 -3.913 0.703 1.00 0.00 O ATOM 119 CB THR A 8 -7.680 -2.919 -2.047 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.657 -3.203 -3.010 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.255 -1.532 -2.308 1.00 0.00 C ATOM 0 H THR A 8 -6.920 -5.098 -0.748 1.00 0.00 H new ATOM 0 HA THR A 8 -6.387 -2.206 -0.477 1.00 0.00 H new ATOM 0 HB THR A 8 -8.488 -3.645 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.031 -3.138 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.661 -1.491 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.049 -1.326 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.467 -0.786 -2.202 1.00 0.00 H new ATOM 129 N LEU A 9 -8.420 -1.735 0.962 1.00 0.00 N ATOM 130 CA LEU A 9 -9.463 -1.543 1.958 1.00 0.00 C ATOM 131 C LEU A 9 -10.658 -0.818 1.356 1.00 0.00 C ATOM 132 O LEU A 9 -10.508 0.207 0.688 1.00 0.00 O ATOM 133 CB LEU A 9 -8.941 -0.766 3.172 1.00 0.00 C ATOM 134 CG LEU A 9 -8.014 -1.545 4.115 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.655 -2.855 4.542 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.670 -1.806 3.465 1.00 0.00 C ATOM 0 H LEU A 9 -7.880 -0.898 0.744 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.779 -2.531 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.407 0.115 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.796 -0.409 3.746 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.852 -0.932 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.980 -3.390 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.591 -2.650 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.854 -3.466 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.033 -2.359 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.813 -2.390 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.196 -0.857 3.216 1.00 0.00 H new ATOM 148 N TYR A 10 -11.837 -1.366 1.594 1.00 0.00 N ATOM 149 CA TYR A 10 -13.075 -0.771 1.122 1.00 0.00 C ATOM 150 C TYR A 10 -13.709 0.037 2.240 1.00 0.00 C ATOM 151 O TYR A 10 -14.333 -0.521 3.142 1.00 0.00 O ATOM 152 CB TYR A 10 -14.048 -1.861 0.654 1.00 0.00 C ATOM 153 CG TYR A 10 -15.352 -1.335 0.086 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.480 -1.193 0.888 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.457 -0.986 -1.253 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.671 -0.717 0.372 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.642 -0.510 -1.776 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.747 -0.377 -0.961 1.00 0.00 C ATOM 159 OH TYR A 10 -18.933 0.098 -1.483 1.00 0.00 O ATOM 0 H TYR A 10 -11.963 -2.232 2.118 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.853 -0.116 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.555 -2.470 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.271 -2.518 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.424 -1.460 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.596 -1.089 -1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.536 -0.612 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.704 -0.242 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.781 0.974 -1.895 1.00 0.00 H new ATOM 169 N VAL A 11 -13.520 1.340 2.200 1.00 0.00 N ATOM 170 CA VAL A 11 -14.146 2.214 3.170 1.00 0.00 C ATOM 171 C VAL A 11 -15.413 2.800 2.575 1.00 0.00 C ATOM 172 O VAL A 11 -15.363 3.491 1.559 1.00 0.00 O ATOM 173 CB VAL A 11 -13.208 3.354 3.609 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.837 4.168 4.728 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.860 2.803 4.043 1.00 0.00 C ATOM 0 H VAL A 11 -12.940 1.816 1.509 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.381 1.620 4.053 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.051 4.012 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.157 4.968 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.776 4.599 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.029 3.522 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.213 3.625 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.999 2.119 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.400 2.269 3.211 1.00 0.00 H new ATOM 185 N GLY A 12 -16.542 2.501 3.189 1.00 0.00 N ATOM 186 CA GLY A 12 -17.806 2.989 2.688 1.00 0.00 C ATOM 187 C GLY A 12 -18.485 3.908 3.675 1.00 0.00 C ATOM 188 O GLY A 12 -17.920 4.207 4.733 1.00 0.00 O ATOM 0 H GLY A 12 -16.607 1.926 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.644 3.520 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.460 2.145 2.468 1.00 0.00 H new ATOM 192 N ASN A 13 -19.695 4.348 3.329 1.00 0.00 N ATOM 193 CA ASN A 13 -20.483 5.251 4.172 1.00 0.00 C ATOM 194 C ASN A 13 -19.840 6.632 4.237 1.00 0.00 C ATOM 195 O ASN A 13 -20.056 7.378 5.188 1.00 0.00 O ATOM 196 CB ASN A 13 -20.648 4.690 5.595 1.00 0.00 C ATOM 197 CG ASN A 13 -21.579 3.489 5.688 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.176 3.242 6.740 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.728 2.740 4.604 1.00 0.00 N ATOM 0 H ASN A 13 -20.157 4.089 2.457 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.470 5.338 3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.668 4.406 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.027 5.480 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.351 1.932 4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.220 2.971 3.750 1.00 0.00 H new ATOM 206 N LEU A 14 -19.073 6.979 3.210 1.00 0.00 N ATOM 207 CA LEU A 14 -18.348 8.246 3.192 1.00 0.00 C ATOM 208 C LEU A 14 -19.295 9.435 3.107 1.00 0.00 C ATOM 209 O LEU A 14 -20.445 9.316 2.677 1.00 0.00 O ATOM 210 CB LEU A 14 -17.346 8.299 2.030 1.00 0.00 C ATOM 211 CG LEU A 14 -15.931 7.802 2.357 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.298 8.660 3.447 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.961 6.344 2.783 1.00 0.00 C ATOM 0 H LEU A 14 -18.937 6.403 2.380 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.800 8.308 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.740 7.705 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.279 9.328 1.677 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.324 7.886 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.296 8.291 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.239 9.694 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.907 8.609 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.949 6.010 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.586 6.237 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.370 5.737 1.975 1.00 0.00 H new ATOM 225 N SER A 15 -18.795 10.583 3.522 1.00 0.00 N ATOM 226 CA SER A 15 -19.563 11.809 3.500 1.00 0.00 C ATOM 227 C SER A 15 -18.787 12.882 2.749 1.00 0.00 C ATOM 228 O SER A 15 -17.557 12.873 2.741 1.00 0.00 O ATOM 229 CB SER A 15 -19.861 12.273 4.934 1.00 0.00 C ATOM 230 OG SER A 15 -20.635 13.462 4.936 1.00 0.00 O ATOM 0 H SER A 15 -17.847 10.690 3.883 1.00 0.00 H new ATOM 0 HA SER A 15 -20.510 11.631 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.394 11.488 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.925 12.444 5.466 1.00 0.00 H new ATOM 0 HG SER A 15 -20.812 13.735 5.860 1.00 0.00 H new ATOM 236 N ARG A 16 -19.511 13.798 2.110 1.00 0.00 N ATOM 237 CA ARG A 16 -18.884 14.924 1.418 1.00 0.00 C ATOM 238 C ARG A 16 -18.271 15.881 2.437 1.00 0.00 C ATOM 239 O ARG A 16 -17.581 16.835 2.083 1.00 0.00 O ATOM 240 CB ARG A 16 -19.889 15.672 0.526 1.00 0.00 C ATOM 241 CG ARG A 16 -20.852 16.594 1.269 1.00 0.00 C ATOM 242 CD ARG A 16 -21.830 15.824 2.142 1.00 0.00 C ATOM 243 NE ARG A 16 -22.628 14.872 1.367 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.791 14.361 1.775 1.00 0.00 C ATOM 245 NH1 ARG A 16 -24.320 14.738 2.937 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.432 13.485 1.010 1.00 0.00 N ATOM 0 H ARG A 16 -20.529 13.784 2.056 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.100 14.528 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.335 16.263 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.471 14.939 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.283 17.287 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.407 17.194 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.280 15.290 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.494 16.525 2.648 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.272 14.581 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.836 15.421 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -25.209 14.344 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.035 13.205 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -25.321 13.093 1.319 1.00 0.00 H new ATOM 260 N ASP A 17 -18.548 15.611 3.707 1.00 0.00 N ATOM 261 CA ASP A 17 -17.996 16.385 4.807 1.00 0.00 C ATOM 262 C ASP A 17 -16.604 15.859 5.153 1.00 0.00 C ATOM 263 O ASP A 17 -15.861 16.462 5.925 1.00 0.00 O ATOM 264 CB ASP A 17 -18.928 16.284 6.017 1.00 0.00 C ATOM 265 CG ASP A 17 -18.681 17.366 7.045 1.00 0.00 C ATOM 266 OD1 ASP A 17 -18.097 17.069 8.102 1.00 0.00 O ATOM 267 OD2 ASP A 17 -19.095 18.521 6.805 1.00 0.00 O ATOM 0 H ASP A 17 -19.161 14.850 4.001 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.910 17.432 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.962 16.342 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.801 15.309 6.486 1.00 0.00 H new ATOM 272 N VAL A 18 -16.261 14.726 4.550 1.00 0.00 N ATOM 273 CA VAL A 18 -14.968 14.089 4.749 1.00 0.00 C ATOM 274 C VAL A 18 -14.060 14.363 3.552 1.00 0.00 C ATOM 275 O VAL A 18 -14.438 14.110 2.408 1.00 0.00 O ATOM 276 CB VAL A 18 -15.124 12.561 4.929 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.773 11.893 5.132 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.057 12.249 6.090 1.00 0.00 C ATOM 0 H VAL A 18 -16.874 14.224 3.908 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.524 14.506 5.653 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.564 12.159 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.913 10.819 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.141 12.079 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.295 12.302 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.153 11.169 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.649 12.672 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.038 12.683 5.895 1.00 0.00 H new ATOM 288 N THR A 19 -12.878 14.897 3.815 1.00 0.00 N ATOM 289 CA THR A 19 -11.933 15.213 2.756 1.00 0.00 C ATOM 290 C THR A 19 -10.992 14.040 2.477 1.00 0.00 C ATOM 291 O THR A 19 -10.678 13.253 3.378 1.00 0.00 O ATOM 292 CB THR A 19 -11.107 16.474 3.098 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.168 16.748 2.054 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.364 16.313 4.417 1.00 0.00 C ATOM 0 H THR A 19 -12.550 15.121 4.754 1.00 0.00 H new ATOM 0 HA THR A 19 -12.518 15.410 1.858 1.00 0.00 H new ATOM 0 HB THR A 19 -11.803 17.307 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.652 17.550 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.794 17.218 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.081 16.142 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.685 15.463 4.350 1.00 0.00 H new ATOM 302 N GLU A 20 -10.561 13.923 1.224 1.00 0.00 N ATOM 303 CA GLU A 20 -9.600 12.904 0.816 1.00 0.00 C ATOM 304 C GLU A 20 -8.334 12.975 1.661 1.00 0.00 C ATOM 305 O GLU A 20 -7.831 11.952 2.127 1.00 0.00 O ATOM 306 CB GLU A 20 -9.230 13.085 -0.658 1.00 0.00 C ATOM 307 CG GLU A 20 -8.158 12.117 -1.131 1.00 0.00 C ATOM 308 CD GLU A 20 -7.623 12.458 -2.501 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.651 13.239 -2.586 1.00 0.00 O ATOM 310 OE2 GLU A 20 -8.161 11.943 -3.498 1.00 0.00 O ATOM 0 H GLU A 20 -10.868 14.531 0.465 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.067 11.930 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.123 12.954 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.883 14.106 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.336 12.115 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.569 11.107 -1.148 1.00 0.00 H new ATOM 317 N ALA A 21 -7.844 14.194 1.862 1.00 0.00 N ATOM 318 CA ALA A 21 -6.594 14.419 2.578 1.00 0.00 C ATOM 319 C ALA A 21 -6.635 13.811 3.975 1.00 0.00 C ATOM 320 O ALA A 21 -5.630 13.297 4.464 1.00 0.00 O ATOM 321 CB ALA A 21 -6.293 15.906 2.658 1.00 0.00 C ATOM 0 H ALA A 21 -8.298 15.047 1.536 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.797 13.925 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.357 16.059 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.205 16.314 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.101 16.413 3.185 1.00 0.00 H new ATOM 327 N LEU A 22 -7.803 13.859 4.598 1.00 0.00 N ATOM 328 CA LEU A 22 -7.984 13.303 5.930 1.00 0.00 C ATOM 329 C LEU A 22 -7.865 11.785 5.883 1.00 0.00 C ATOM 330 O LEU A 22 -7.070 11.193 6.614 1.00 0.00 O ATOM 331 CB LEU A 22 -9.348 13.713 6.494 1.00 0.00 C ATOM 332 CG LEU A 22 -9.657 13.211 7.902 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.671 13.788 8.907 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.087 13.562 8.285 1.00 0.00 C ATOM 0 H LEU A 22 -8.643 14.279 4.200 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.206 13.695 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.409 14.801 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.124 13.350 5.820 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.554 12.126 7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.909 13.418 9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.659 13.484 8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.738 14.876 8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.294 13.198 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.216 14.644 8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.777 13.096 7.582 1.00 0.00 H new ATOM 346 N ILE A 23 -8.642 11.171 4.996 1.00 0.00 N ATOM 347 CA ILE A 23 -8.651 9.718 4.845 1.00 0.00 C ATOM 348 C ILE A 23 -7.256 9.193 4.516 1.00 0.00 C ATOM 349 O ILE A 23 -6.748 8.285 5.179 1.00 0.00 O ATOM 350 CB ILE A 23 -9.641 9.280 3.738 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.074 9.644 4.134 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.529 7.785 3.458 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.533 9.002 5.427 1.00 0.00 C ATOM 0 H ILE A 23 -9.278 11.660 4.366 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.974 9.295 5.796 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.382 9.812 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.150 10.727 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.749 9.347 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.236 7.507 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.516 7.551 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.755 7.227 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.557 9.307 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.490 7.917 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.882 9.319 6.242 1.00 0.00 H new ATOM 365 N LEU A 24 -6.633 9.791 3.506 1.00 0.00 N ATOM 366 CA LEU A 24 -5.305 9.376 3.067 1.00 0.00 C ATOM 367 C LEU A 24 -4.289 9.484 4.194 1.00 0.00 C ATOM 368 O LEU A 24 -3.512 8.560 4.420 1.00 0.00 O ATOM 369 CB LEU A 24 -4.854 10.206 1.861 1.00 0.00 C ATOM 370 CG LEU A 24 -5.141 9.579 0.492 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.351 8.291 0.324 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.629 9.314 0.319 1.00 0.00 C ATOM 0 H LEU A 24 -7.028 10.567 2.974 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.366 8.329 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.343 11.179 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.782 10.384 1.943 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.829 10.284 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.565 7.858 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.285 8.505 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.636 7.585 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.808 8.869 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.970 8.630 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.177 10.253 0.396 1.00 0.00 H new ATOM 384 N GLN A 25 -4.315 10.597 4.915 1.00 0.00 N ATOM 385 CA GLN A 25 -3.370 10.819 6.004 1.00 0.00 C ATOM 386 C GLN A 25 -3.578 9.805 7.129 1.00 0.00 C ATOM 387 O GLN A 25 -2.613 9.295 7.703 1.00 0.00 O ATOM 388 CB GLN A 25 -3.500 12.246 6.542 1.00 0.00 C ATOM 389 CG GLN A 25 -2.604 12.537 7.735 1.00 0.00 C ATOM 390 CD GLN A 25 -2.595 14.004 8.119 1.00 0.00 C ATOM 391 OE1 GLN A 25 -2.729 14.884 7.266 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.449 14.279 9.406 1.00 0.00 N ATOM 0 H GLN A 25 -4.977 11.358 4.767 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.363 10.684 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.264 12.948 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.537 12.424 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.938 11.945 8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.587 12.220 7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.341 13.521 10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.445 15.248 9.723 1.00 0.00 H new ATOM 401 N LEU A 26 -4.836 9.507 7.430 1.00 0.00 N ATOM 402 CA LEU A 26 -5.164 8.559 8.491 1.00 0.00 C ATOM 403 C LEU A 26 -4.616 7.170 8.189 1.00 0.00 C ATOM 404 O LEU A 26 -4.005 6.535 9.049 1.00 0.00 O ATOM 405 CB LEU A 26 -6.669 8.490 8.709 1.00 0.00 C ATOM 406 CG LEU A 26 -7.287 9.759 9.285 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.740 9.519 9.623 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.520 10.225 10.515 1.00 0.00 C ATOM 0 H LEU A 26 -5.646 9.907 6.956 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.691 8.919 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.151 8.267 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.888 7.659 9.379 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.227 10.546 8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.173 10.431 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.281 9.235 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.815 8.718 10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.979 11.132 10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.545 9.446 11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.485 10.432 10.242 1.00 0.00 H new ATOM 420 N PHE A 27 -4.819 6.707 6.964 1.00 0.00 N ATOM 421 CA PHE A 27 -4.365 5.381 6.566 1.00 0.00 C ATOM 422 C PHE A 27 -2.860 5.364 6.312 1.00 0.00 C ATOM 423 O PHE A 27 -2.193 4.362 6.579 1.00 0.00 O ATOM 424 CB PHE A 27 -5.135 4.901 5.333 1.00 0.00 C ATOM 425 CG PHE A 27 -6.554 4.493 5.635 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.566 5.434 5.682 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.869 3.165 5.873 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.868 5.062 5.961 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.168 2.785 6.152 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.168 3.736 6.196 1.00 0.00 C ATOM 0 H PHE A 27 -5.295 7.229 6.228 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.566 4.693 7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.144 5.696 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.608 4.055 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.336 6.473 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.090 2.418 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.648 5.808 5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.401 1.746 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.184 3.442 6.414 1.00 0.00 H new ATOM 440 N SER A 28 -2.326 6.481 5.822 1.00 0.00 N ATOM 441 CA SER A 28 -0.894 6.608 5.566 1.00 0.00 C ATOM 442 C SER A 28 -0.098 6.438 6.861 1.00 0.00 C ATOM 443 O SER A 28 1.055 5.991 6.848 1.00 0.00 O ATOM 444 CB SER A 28 -0.600 7.973 4.934 1.00 0.00 C ATOM 445 OG SER A 28 0.754 8.089 4.542 1.00 0.00 O ATOM 0 H SER A 28 -2.867 7.315 5.594 1.00 0.00 H new ATOM 0 HA SER A 28 -0.589 5.822 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.243 8.118 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.841 8.763 5.645 1.00 0.00 H new ATOM 0 HG SER A 28 0.904 8.971 4.142 1.00 0.00 H new ATOM 451 N GLN A 29 -0.727 6.797 7.978 1.00 0.00 N ATOM 452 CA GLN A 29 -0.129 6.628 9.297 1.00 0.00 C ATOM 453 C GLN A 29 0.118 5.144 9.563 1.00 0.00 C ATOM 454 O GLN A 29 1.172 4.749 10.064 1.00 0.00 O ATOM 455 CB GLN A 29 -1.068 7.211 10.365 1.00 0.00 C ATOM 456 CG GLN A 29 -0.371 7.797 11.587 1.00 0.00 C ATOM 457 CD GLN A 29 0.436 6.781 12.365 1.00 0.00 C ATOM 458 OE1 GLN A 29 1.631 6.615 12.133 1.00 0.00 O ATOM 459 NE2 GLN A 29 -0.215 6.087 13.283 1.00 0.00 N ATOM 0 H GLN A 29 -1.659 7.210 7.993 1.00 0.00 H new ATOM 0 HA GLN A 29 0.824 7.156 9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.677 7.989 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.749 6.427 10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.287 8.605 11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.119 8.237 12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.208 6.258 13.443 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.276 5.381 13.832 1.00 0.00 H new ATOM 468 N ILE A 30 -0.853 4.320 9.192 1.00 0.00 N ATOM 469 CA ILE A 30 -0.778 2.887 9.439 1.00 0.00 C ATOM 470 C ILE A 30 0.229 2.227 8.503 1.00 0.00 C ATOM 471 O ILE A 30 1.090 1.462 8.942 1.00 0.00 O ATOM 472 CB ILE A 30 -2.155 2.209 9.272 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.194 2.862 10.191 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.054 0.716 9.556 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.844 2.787 11.665 1.00 0.00 C ATOM 0 H ILE A 30 -1.704 4.621 8.717 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.450 2.757 10.470 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.479 2.342 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.309 3.908 9.908 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.159 2.381 10.032 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.034 0.255 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.349 0.260 8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.706 0.563 10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.627 3.270 12.250 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.758 1.743 11.966 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.895 3.294 11.840 1.00 0.00 H new ATOM 487 N GLY A 31 0.127 2.530 7.217 1.00 0.00 N ATOM 488 CA GLY A 31 1.031 1.945 6.249 1.00 0.00 C ATOM 489 C GLY A 31 1.105 2.757 4.973 1.00 0.00 C ATOM 490 O GLY A 31 0.319 3.684 4.784 1.00 0.00 O ATOM 0 H GLY A 31 -0.565 3.170 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.027 1.866 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.704 0.932 6.015 1.00 0.00 H new ATOM 494 N PRO A 32 2.048 2.429 4.079 1.00 0.00 N ATOM 495 CA PRO A 32 2.222 3.142 2.814 1.00 0.00 C ATOM 496 C PRO A 32 1.083 2.865 1.838 1.00 0.00 C ATOM 497 O PRO A 32 0.816 1.710 1.484 1.00 0.00 O ATOM 498 CB PRO A 32 3.549 2.599 2.257 1.00 0.00 C ATOM 499 CG PRO A 32 4.159 1.801 3.363 1.00 0.00 C ATOM 500 CD PRO A 32 3.022 1.345 4.229 1.00 0.00 C ATOM 0 HA PRO A 32 2.225 4.222 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.379 1.980 1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.207 3.413 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.713 0.949 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.865 2.404 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.618 0.389 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.329 1.218 5.267 1.00 0.00 H new ATOM 508 N CYS A 33 0.410 3.925 1.413 1.00 0.00 N ATOM 509 CA CYS A 33 -0.698 3.804 0.482 1.00 0.00 C ATOM 510 C CYS A 33 -0.191 3.588 -0.941 1.00 0.00 C ATOM 511 O CYS A 33 0.768 4.223 -1.386 1.00 0.00 O ATOM 512 CB CYS A 33 -1.584 5.051 0.552 1.00 0.00 C ATOM 513 SG CYS A 33 -0.714 6.594 0.197 1.00 0.00 S ATOM 0 H CYS A 33 0.615 4.882 1.701 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.292 2.935 0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.407 4.939 -0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.025 5.115 1.547 1.00 0.00 H new ATOM 0 HG CYS A 33 0.309 6.349 -0.566 1.00 0.00 H new ATOM 519 N LYS A 34 -0.835 2.665 -1.634 1.00 0.00 N ATOM 520 CA LYS A 34 -0.489 2.324 -3.004 1.00 0.00 C ATOM 521 C LYS A 34 -1.252 3.232 -3.961 1.00 0.00 C ATOM 522 O LYS A 34 -0.675 3.810 -4.880 1.00 0.00 O ATOM 523 CB LYS A 34 -0.833 0.842 -3.254 1.00 0.00 C ATOM 524 CG LYS A 34 -0.315 0.248 -4.563 1.00 0.00 C ATOM 525 CD LYS A 34 -1.039 0.794 -5.787 1.00 0.00 C ATOM 526 CE LYS A 34 -0.893 -0.127 -6.985 1.00 0.00 C ATOM 527 NZ LYS A 34 -1.658 -1.392 -6.812 1.00 0.00 N ATOM 0 H LYS A 34 -1.617 2.128 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 34 0.578 2.469 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.436 0.253 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.917 0.732 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.751 0.456 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.427 -0.836 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.096 0.925 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.643 1.779 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.240 0.387 -7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.161 -0.359 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.363 -2.078 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.472 -1.784 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.675 -1.199 -6.912 1.00 0.00 H new ATOM 541 N ASN A 35 -2.549 3.359 -3.728 1.00 0.00 N ATOM 542 CA ASN A 35 -3.410 4.151 -4.594 1.00 0.00 C ATOM 543 C ASN A 35 -4.623 4.630 -3.805 1.00 0.00 C ATOM 544 O ASN A 35 -4.995 4.014 -2.801 1.00 0.00 O ATOM 545 CB ASN A 35 -3.863 3.323 -5.803 1.00 0.00 C ATOM 546 CG ASN A 35 -4.617 4.139 -6.843 1.00 0.00 C ATOM 547 OD1 ASN A 35 -5.578 3.659 -7.440 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.168 5.361 -7.099 1.00 0.00 N ATOM 0 H ASN A 35 -3.031 2.922 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.850 5.013 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.990 2.869 -6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.500 2.508 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.623 5.933 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.368 5.728 -6.584 1.00 0.00 H new ATOM 555 N CYS A 36 -5.222 5.721 -4.253 1.00 0.00 N ATOM 556 CA CYS A 36 -6.391 6.281 -3.598 1.00 0.00 C ATOM 557 C CYS A 36 -7.486 6.568 -4.619 1.00 0.00 C ATOM 558 O CYS A 36 -7.266 7.286 -5.596 1.00 0.00 O ATOM 559 CB CYS A 36 -6.010 7.561 -2.857 1.00 0.00 C ATOM 560 SG CYS A 36 -5.116 8.766 -3.872 1.00 0.00 S ATOM 0 H CYS A 36 -4.914 6.240 -5.075 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.771 5.556 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.916 8.028 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.395 7.300 -1.996 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.575 8.735 -5.088 1.00 0.00 H new ATOM 566 N LYS A 37 -8.653 5.987 -4.404 1.00 0.00 N ATOM 567 CA LYS A 37 -9.781 6.197 -5.297 1.00 0.00 C ATOM 568 C LYS A 37 -10.988 6.701 -4.528 1.00 0.00 C ATOM 569 O LYS A 37 -11.635 5.951 -3.798 1.00 0.00 O ATOM 570 CB LYS A 37 -10.134 4.903 -6.021 1.00 0.00 C ATOM 571 CG LYS A 37 -9.034 4.406 -6.945 1.00 0.00 C ATOM 572 CD LYS A 37 -8.879 5.299 -8.167 1.00 0.00 C ATOM 573 CE LYS A 37 -10.094 5.220 -9.077 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.285 3.854 -9.629 1.00 0.00 N ATOM 0 H LYS A 37 -8.845 5.365 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.495 6.949 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.354 4.131 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.043 5.057 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.091 4.368 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.259 3.388 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.730 6.330 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.988 5.005 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.984 5.514 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.981 5.930 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.951 3.892 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.371 3.482 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.666 3.231 -8.889 1.00 0.00 H new ATOM 588 N MET A 38 -11.283 7.974 -4.700 1.00 0.00 N ATOM 589 CA MET A 38 -12.421 8.597 -4.038 1.00 0.00 C ATOM 590 C MET A 38 -13.651 8.524 -4.934 1.00 0.00 C ATOM 591 O MET A 38 -13.751 9.242 -5.933 1.00 0.00 O ATOM 592 CB MET A 38 -12.106 10.054 -3.685 1.00 0.00 C ATOM 593 CG MET A 38 -13.247 10.773 -2.975 1.00 0.00 C ATOM 594 SD MET A 38 -13.687 10.005 -1.404 1.00 0.00 S ATOM 595 CE MET A 38 -12.175 10.236 -0.475 1.00 0.00 C ATOM 0 H MET A 38 -10.748 8.605 -5.297 1.00 0.00 H new ATOM 0 HA MET A 38 -12.625 8.056 -3.114 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.220 10.081 -3.050 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.860 10.595 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 38 -12.963 11.811 -2.800 1.00 0.00 H new ATOM 0 HG3 MET A 38 -14.122 10.787 -3.625 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.379 10.113 0.589 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.438 9.498 -0.790 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.786 11.238 -0.657 1.00 0.00 H new ATOM 605 N ILE A 39 -14.578 7.644 -4.589 1.00 0.00 N ATOM 606 CA ILE A 39 -15.777 7.460 -5.387 1.00 0.00 C ATOM 607 C ILE A 39 -16.960 8.168 -4.738 1.00 0.00 C ATOM 608 O ILE A 39 -17.725 7.568 -3.978 1.00 0.00 O ATOM 609 CB ILE A 39 -16.119 5.966 -5.582 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.885 5.181 -6.051 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.262 5.811 -6.577 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.300 5.669 -7.361 1.00 0.00 C ATOM 0 H ILE A 39 -14.522 7.048 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.579 7.894 -6.367 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.435 5.558 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.117 5.238 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.155 4.130 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.492 4.753 -6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.143 6.332 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.969 6.237 -7.537 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.433 5.062 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.050 5.586 -8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.996 6.711 -7.258 1.00 0.00 H new ATOM 710 N PRO A 47 -21.539 6.417 -0.689 1.00 0.00 N ATOM 711 CA PRO A 47 -20.204 6.791 -1.154 1.00 0.00 C ATOM 712 C PRO A 47 -19.110 5.965 -0.491 1.00 0.00 C ATOM 713 O PRO A 47 -19.181 5.652 0.700 1.00 0.00 O ATOM 714 CB PRO A 47 -20.073 8.272 -0.763 1.00 0.00 C ATOM 715 CG PRO A 47 -21.454 8.712 -0.410 1.00 0.00 C ATOM 716 CD PRO A 47 -22.151 7.490 0.108 1.00 0.00 C ATOM 0 HA PRO A 47 -20.088 6.616 -2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.393 8.397 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.671 8.862 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.433 9.499 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.970 9.117 -1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.984 7.349 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.229 7.543 -0.042 1.00 0.00 H new ATOM 724 N TYR A 48 -18.098 5.621 -1.266 1.00 0.00 N ATOM 725 CA TYR A 48 -17.031 4.769 -0.785 1.00 0.00 C ATOM 726 C TYR A 48 -15.702 5.179 -1.397 1.00 0.00 C ATOM 727 O TYR A 48 -15.654 5.764 -2.478 1.00 0.00 O ATOM 728 CB TYR A 48 -17.336 3.301 -1.100 1.00 0.00 C ATOM 729 CG TYR A 48 -17.633 3.029 -2.562 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.905 3.235 -3.082 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.646 2.559 -3.417 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.184 2.983 -4.410 1.00 0.00 C ATOM 733 CE2 TYR A 48 -16.918 2.306 -4.747 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.187 2.519 -5.239 1.00 0.00 C ATOM 735 OH TYR A 48 -18.459 2.265 -6.564 1.00 0.00 O ATOM 0 H TYR A 48 -17.994 5.921 -2.235 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.960 4.884 0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.486 2.691 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.190 2.982 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.690 3.599 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.650 2.388 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.179 3.149 -4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.138 1.942 -5.400 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.647 1.945 -7.009 1.00 0.00 H new ATOM 745 N CYS A 49 -14.630 4.878 -0.695 1.00 0.00 N ATOM 746 CA CYS A 49 -13.302 5.216 -1.157 1.00 0.00 C ATOM 747 C CYS A 49 -12.388 3.995 -1.090 1.00 0.00 C ATOM 748 O CYS A 49 -12.391 3.258 -0.102 1.00 0.00 O ATOM 749 CB CYS A 49 -12.734 6.367 -0.321 1.00 0.00 C ATOM 750 SG CYS A 49 -12.625 6.020 1.449 1.00 0.00 S ATOM 0 H CYS A 49 -14.654 4.396 0.204 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.361 5.539 -2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.739 6.614 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -13.357 7.249 -0.468 1.00 0.00 H new ATOM 0 HG CYS A 49 -12.335 7.114 2.089 1.00 0.00 H new ATOM 756 N PHE A 50 -11.622 3.781 -2.152 1.00 0.00 N ATOM 757 CA PHE A 50 -10.689 2.662 -2.215 1.00 0.00 C ATOM 758 C PHE A 50 -9.300 3.106 -1.791 1.00 0.00 C ATOM 759 O PHE A 50 -8.683 3.955 -2.438 1.00 0.00 O ATOM 760 CB PHE A 50 -10.618 2.083 -3.630 1.00 0.00 C ATOM 761 CG PHE A 50 -11.841 1.322 -4.050 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.096 0.061 -3.534 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.724 1.856 -4.973 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.210 -0.651 -3.928 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.842 1.147 -5.369 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.085 -0.107 -4.846 1.00 0.00 C ATOM 0 H PHE A 50 -11.628 4.370 -2.985 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.052 1.892 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.452 2.898 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.753 1.423 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.415 -0.369 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.537 2.836 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.397 -1.633 -3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.526 1.574 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.959 -0.662 -5.155 1.00 0.00 H new ATOM 776 N VAL A 51 -8.817 2.541 -0.701 1.00 0.00 N ATOM 777 CA VAL A 51 -7.465 2.804 -0.249 1.00 0.00 C ATOM 778 C VAL A 51 -6.654 1.510 -0.239 1.00 0.00 C ATOM 779 O VAL A 51 -6.930 0.587 0.530 1.00 0.00 O ATOM 780 CB VAL A 51 -7.443 3.485 1.145 1.00 0.00 C ATOM 781 CG1 VAL A 51 -8.255 2.696 2.161 1.00 0.00 C ATOM 782 CG2 VAL A 51 -6.013 3.677 1.626 1.00 0.00 C ATOM 0 H VAL A 51 -9.342 1.896 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.007 3.501 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.906 4.467 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.219 3.200 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.290 2.628 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.839 1.693 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.020 4.156 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.521 2.707 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.472 4.305 0.918 1.00 0.00 H new ATOM 792 N GLU A 52 -5.682 1.431 -1.130 1.00 0.00 N ATOM 793 CA GLU A 52 -4.844 0.247 -1.231 1.00 0.00 C ATOM 794 C GLU A 52 -3.540 0.471 -0.480 1.00 0.00 C ATOM 795 O GLU A 52 -2.966 1.558 -0.537 1.00 0.00 O ATOM 796 CB GLU A 52 -4.549 -0.091 -2.697 1.00 0.00 C ATOM 797 CG GLU A 52 -3.929 -1.464 -2.882 1.00 0.00 C ATOM 798 CD GLU A 52 -3.410 -1.698 -4.284 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.000 -1.166 -5.248 1.00 0.00 O ATOM 800 OE2 GLU A 52 -2.394 -2.413 -4.430 1.00 0.00 O ATOM 0 H GLU A 52 -5.453 2.171 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.380 -0.592 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.476 -0.038 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.877 0.662 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.110 -1.584 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.671 -2.226 -2.644 1.00 0.00 H new ATOM 807 N PHE A 53 -3.081 -0.549 0.224 1.00 0.00 N ATOM 808 CA PHE A 53 -1.817 -0.477 0.938 1.00 0.00 C ATOM 809 C PHE A 53 -0.743 -1.258 0.200 1.00 0.00 C ATOM 810 O PHE A 53 -1.039 -2.155 -0.587 1.00 0.00 O ATOM 811 CB PHE A 53 -1.967 -1.035 2.355 1.00 0.00 C ATOM 812 CG PHE A 53 -2.611 -0.080 3.319 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.858 0.525 4.312 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.963 0.209 3.236 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.442 1.402 5.204 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.551 1.087 4.124 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.788 1.682 5.109 1.00 0.00 C ATOM 0 H PHE A 53 -3.567 -1.441 0.317 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.523 0.571 0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.559 -1.949 2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.982 -1.309 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.803 0.308 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.563 -0.257 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.845 1.868 5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.605 1.308 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.247 2.368 5.806 1.00 0.00 H new ATOM 827 N HIS A 54 0.509 -0.901 0.452 1.00 0.00 N ATOM 828 CA HIS A 54 1.640 -1.640 -0.098 1.00 0.00 C ATOM 829 C HIS A 54 1.910 -2.888 0.729 1.00 0.00 C ATOM 830 O HIS A 54 2.709 -3.743 0.345 1.00 0.00 O ATOM 831 CB HIS A 54 2.901 -0.773 -0.147 1.00 0.00 C ATOM 832 CG HIS A 54 2.930 0.181 -1.299 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.061 -0.230 -2.603 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.840 1.529 -1.337 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.045 0.823 -3.397 1.00 0.00 C ATOM 836 NE2 HIS A 54 2.915 1.907 -2.656 1.00 0.00 N ATOM 0 H HIS A 54 0.768 -0.104 1.034 1.00 0.00 H new ATOM 0 HA HIS A 54 1.381 -1.929 -1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.980 -0.209 0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.775 -1.422 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.730 2.187 -0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.125 0.802 -4.474 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.877 2.865 -3.004 1.00 0.00 H new ATOM 845 N GLU A 55 1.236 -2.979 1.866 1.00 0.00 N ATOM 846 CA GLU A 55 1.396 -4.108 2.767 1.00 0.00 C ATOM 847 C GLU A 55 0.046 -4.547 3.306 1.00 0.00 C ATOM 848 O GLU A 55 -0.666 -3.762 3.933 1.00 0.00 O ATOM 849 CB GLU A 55 2.296 -3.733 3.944 1.00 0.00 C ATOM 850 CG GLU A 55 3.686 -3.282 3.543 1.00 0.00 C ATOM 851 CD GLU A 55 4.512 -2.862 4.729 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.421 -1.685 5.122 1.00 0.00 O ATOM 853 OE2 GLU A 55 5.241 -3.709 5.281 1.00 0.00 O ATOM 0 H GLU A 55 0.568 -2.278 2.187 1.00 0.00 H new ATOM 0 HA GLU A 55 1.852 -4.923 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.818 -2.936 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.383 -4.592 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.192 -4.093 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.608 -2.450 2.843 1.00 0.00 H new ATOM 860 N HIS A 56 -0.296 -5.804 3.063 1.00 0.00 N ATOM 861 CA HIS A 56 -1.509 -6.392 3.610 1.00 0.00 C ATOM 862 C HIS A 56 -1.436 -6.423 5.136 1.00 0.00 C ATOM 863 O HIS A 56 -2.456 -6.353 5.817 1.00 0.00 O ATOM 864 CB HIS A 56 -1.703 -7.808 3.051 1.00 0.00 C ATOM 865 CG HIS A 56 -2.811 -8.580 3.703 1.00 0.00 C ATOM 866 ND1 HIS A 56 -4.122 -8.535 3.278 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.790 -9.426 4.759 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.856 -9.316 4.043 1.00 0.00 C ATOM 869 NE2 HIS A 56 -4.072 -9.871 4.949 1.00 0.00 N ATOM 0 H HIS A 56 0.255 -6.440 2.486 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.364 -5.782 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.903 -7.740 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.772 -8.363 3.166 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.469 -7.983 2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.924 -9.700 5.343 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.920 -9.476 3.946 1.00 0.00 H new ATOM 878 N ARG A 57 -0.221 -6.527 5.659 1.00 0.00 N ATOM 879 CA ARG A 57 -0.006 -6.541 7.100 1.00 0.00 C ATOM 880 C ARG A 57 -0.519 -5.248 7.731 1.00 0.00 C ATOM 881 O ARG A 57 -1.183 -5.268 8.765 1.00 0.00 O ATOM 882 CB ARG A 57 1.478 -6.702 7.415 1.00 0.00 C ATOM 883 CG ARG A 57 2.161 -7.821 6.649 1.00 0.00 C ATOM 884 CD ARG A 57 3.638 -7.901 6.999 1.00 0.00 C ATOM 885 NE ARG A 57 4.310 -6.605 6.865 1.00 0.00 N ATOM 886 CZ ARG A 57 4.885 -5.960 7.882 1.00 0.00 C ATOM 887 NH1 ARG A 57 4.915 -6.518 9.087 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.443 -4.772 7.688 1.00 0.00 N ATOM 0 H ARG A 57 0.632 -6.603 5.105 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.556 -7.385 7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.988 -5.764 7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.593 -6.886 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.678 -8.771 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.046 -7.655 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.748 -8.261 8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.124 -8.629 6.350 1.00 0.00 H new ATOM 0 HE ARG A 57 4.340 -6.172 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.499 -7.438 9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.354 -6.027 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.433 -4.349 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.882 -4.281 8.467 1.00 0.00 H new ATOM 902 N HIS A 58 -0.225 -4.123 7.085 1.00 0.00 N ATOM 903 CA HIS A 58 -0.649 -2.824 7.596 1.00 0.00 C ATOM 904 C HIS A 58 -2.086 -2.545 7.195 1.00 0.00 C ATOM 905 O HIS A 58 -2.782 -1.764 7.842 1.00 0.00 O ATOM 906 CB HIS A 58 0.283 -1.707 7.112 1.00 0.00 C ATOM 907 CG HIS A 58 1.583 -1.660 7.858 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.818 -1.682 7.245 1.00 0.00 N ATOM 909 CD2 HIS A 58 1.832 -1.600 9.187 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.763 -1.645 8.161 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.192 -1.591 9.347 1.00 0.00 N ATOM 0 H HIS A 58 0.302 -4.085 6.212 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.593 -2.850 8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.485 -1.846 6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.224 -0.748 7.217 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.975 -1.721 6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.095 -1.566 9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.826 -1.657 7.972 1.00 0.00 H new ATOM 920 N ALA A 59 -2.529 -3.200 6.135 1.00 0.00 N ATOM 921 CA ALA A 59 -3.924 -3.144 5.733 1.00 0.00 C ATOM 922 C ALA A 59 -4.808 -3.702 6.846 1.00 0.00 C ATOM 923 O ALA A 59 -5.880 -3.170 7.132 1.00 0.00 O ATOM 924 CB ALA A 59 -4.124 -3.927 4.447 1.00 0.00 C ATOM 0 H ALA A 59 -1.940 -3.779 5.536 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.206 -2.106 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.172 -3.880 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.506 -3.497 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.838 -4.967 4.606 1.00 0.00 H new ATOM 930 N ALA A 60 -4.327 -4.769 7.481 1.00 0.00 N ATOM 931 CA ALA A 60 -5.026 -5.395 8.598 1.00 0.00 C ATOM 932 C ALA A 60 -5.117 -4.452 9.790 1.00 0.00 C ATOM 933 O ALA A 60 -6.168 -4.331 10.421 1.00 0.00 O ATOM 934 CB ALA A 60 -4.317 -6.673 9.003 1.00 0.00 C ATOM 0 H ALA A 60 -3.446 -5.221 7.236 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.040 -5.630 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.846 -7.134 9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.300 -7.363 8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.295 -6.442 9.304 1.00 0.00 H new ATOM 940 N ALA A 61 -4.006 -3.788 10.091 1.00 0.00 N ATOM 941 CA ALA A 61 -3.952 -2.848 11.200 1.00 0.00 C ATOM 942 C ALA A 61 -4.929 -1.697 10.983 1.00 0.00 C ATOM 943 O ALA A 61 -5.645 -1.298 11.902 1.00 0.00 O ATOM 944 CB ALA A 61 -2.534 -2.327 11.379 1.00 0.00 C ATOM 0 H ALA A 61 -3.129 -3.885 9.579 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.246 -3.370 12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.507 -1.624 12.212 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.863 -3.161 11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.214 -1.822 10.468 1.00 0.00 H new ATOM 950 N ALA A 62 -4.971 -1.181 9.758 1.00 0.00 N ATOM 951 CA ALA A 62 -5.880 -0.094 9.414 1.00 0.00 C ATOM 952 C ALA A 62 -7.324 -0.574 9.436 1.00 0.00 C ATOM 953 O ALA A 62 -8.228 0.156 9.849 1.00 0.00 O ATOM 954 CB ALA A 62 -5.529 0.468 8.047 1.00 0.00 C ATOM 0 H ALA A 62 -4.385 -1.499 8.986 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.772 0.696 10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.214 1.279 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.507 0.848 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.613 -0.319 7.297 1.00 0.00 H new ATOM 960 N LEU A 63 -7.523 -1.811 8.996 1.00 0.00 N ATOM 961 CA LEU A 63 -8.840 -2.439 8.985 1.00 0.00 C ATOM 962 C LEU A 63 -9.466 -2.378 10.378 1.00 0.00 C ATOM 963 O LEU A 63 -10.580 -1.895 10.544 1.00 0.00 O ATOM 964 CB LEU A 63 -8.700 -3.898 8.504 1.00 0.00 C ATOM 965 CG LEU A 63 -9.996 -4.648 8.137 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.779 -5.054 9.379 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.859 -3.807 7.213 1.00 0.00 C ATOM 0 H LEU A 63 -6.777 -2.407 8.637 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.498 -1.903 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.048 -3.904 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.192 -4.464 9.285 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.711 -5.560 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.686 -5.580 9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.166 -5.709 9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.046 -4.163 9.948 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.769 -4.355 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.121 -2.873 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.307 -3.589 6.299 1.00 0.00 H new ATOM 979 N ALA A 64 -8.730 -2.841 11.378 1.00 0.00 N ATOM 980 CA ALA A 64 -9.251 -2.906 12.738 1.00 0.00 C ATOM 981 C ALA A 64 -9.253 -1.539 13.421 1.00 0.00 C ATOM 982 O ALA A 64 -9.983 -1.324 14.390 1.00 0.00 O ATOM 983 CB ALA A 64 -8.443 -3.898 13.558 1.00 0.00 C ATOM 0 H ALA A 64 -7.772 -3.177 11.275 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.287 -3.240 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.840 -3.940 14.572 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.508 -4.886 13.102 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.401 -3.581 13.589 1.00 0.00 H new ATOM 989 N ALA A 65 -8.447 -0.613 12.917 1.00 0.00 N ATOM 990 CA ALA A 65 -8.282 0.681 13.567 1.00 0.00 C ATOM 991 C ALA A 65 -9.306 1.707 13.093 1.00 0.00 C ATOM 992 O ALA A 65 -9.786 2.518 13.883 1.00 0.00 O ATOM 993 CB ALA A 65 -6.875 1.214 13.336 1.00 0.00 C ATOM 0 H ALA A 65 -7.900 -0.733 12.065 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.446 0.523 14.633 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.767 2.181 13.827 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.148 0.514 13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.701 1.329 12.266 1.00 0.00 H new ATOM 999 N MET A 66 -9.643 1.679 11.811 1.00 0.00 N ATOM 1000 CA MET A 66 -10.487 2.724 11.241 1.00 0.00 C ATOM 1001 C MET A 66 -11.929 2.264 11.049 1.00 0.00 C ATOM 1002 O MET A 66 -12.822 3.086 10.860 1.00 0.00 O ATOM 1003 CB MET A 66 -9.912 3.215 9.910 1.00 0.00 C ATOM 1004 CG MET A 66 -8.499 3.768 10.024 1.00 0.00 C ATOM 1005 SD MET A 66 -8.374 5.141 11.188 1.00 0.00 S ATOM 1006 CE MET A 66 -6.630 5.523 11.062 1.00 0.00 C ATOM 0 H MET A 66 -9.351 0.956 11.153 1.00 0.00 H new ATOM 0 HA MET A 66 -10.498 3.547 11.955 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.914 2.391 9.197 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.564 3.989 9.505 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.826 2.970 10.338 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.164 4.100 9.041 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.444 6.516 11.472 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.055 4.786 11.622 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.327 5.501 10.015 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.163 0.961 11.101 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.509 0.426 10.891 1.00 0.00 C ATOM 1018 C ASN A 67 -14.398 0.713 12.096 1.00 0.00 C ATOM 1019 O ASN A 67 -14.193 0.154 13.176 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.454 -1.080 10.632 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.816 -1.676 10.328 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.689 -1.011 9.764 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.005 -2.935 10.691 1.00 0.00 N ATOM 0 H ASN A 67 -11.449 0.257 11.285 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.935 0.919 10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.782 -1.276 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.031 -1.579 11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.899 -3.390 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.257 -3.450 11.155 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.378 1.590 11.907 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.298 1.914 12.979 1.00 0.00 C ATOM 1032 C GLY A 68 -15.901 3.167 13.733 1.00 0.00 C ATOM 1033 O GLY A 68 -16.462 3.464 14.788 1.00 0.00 O ATOM 0 H GLY A 68 -15.551 2.082 11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.298 2.045 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.348 1.077 13.675 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.936 3.902 13.200 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.386 5.048 13.906 1.00 0.00 C ATOM 1039 C ARG A 69 -15.258 6.289 13.706 1.00 0.00 C ATOM 1040 O ARG A 69 -15.847 6.491 12.643 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.951 5.311 13.444 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.202 6.289 14.328 1.00 0.00 C ATOM 1043 CD ARG A 69 -10.736 6.380 13.951 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.003 7.259 14.859 1.00 0.00 N ATOM 1045 CZ ARG A 69 -8.680 7.278 14.981 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -7.928 6.463 14.251 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.112 8.120 15.837 1.00 0.00 N ATOM 0 H ARG A 69 -14.520 3.726 12.286 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.374 4.822 14.972 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.407 4.367 13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.971 5.696 12.424 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.660 7.275 14.248 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.291 5.979 15.369 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.292 5.385 13.969 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.644 6.751 12.930 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.543 7.901 15.438 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.365 5.818 13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.913 6.482 14.348 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.691 8.747 16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.097 8.140 15.936 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.345 7.107 14.748 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.151 8.320 14.723 1.00 0.00 C ATOM 1063 C LYS A 70 -15.442 9.424 13.940 1.00 0.00 C ATOM 1064 O LYS A 70 -14.549 10.091 14.466 1.00 0.00 O ATOM 1065 CB LYS A 70 -16.422 8.795 16.154 1.00 0.00 C ATOM 1066 CG LYS A 70 -17.341 10.004 16.247 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.776 9.642 15.910 1.00 0.00 C ATOM 1068 CE LYS A 70 -19.679 10.864 15.932 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.106 10.497 15.757 1.00 0.00 N ATOM 0 H LYS A 70 -14.860 6.948 15.631 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.096 8.095 14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.862 7.974 16.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.472 9.037 16.630 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.297 10.419 17.254 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.992 10.781 15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.813 9.178 14.924 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.143 8.904 16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.553 11.392 16.877 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.380 11.551 15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.691 11.357 15.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.231 10.015 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.398 9.861 16.527 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.825 9.603 12.687 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.258 10.660 11.861 1.00 0.00 C ATOM 1085 C ILE A 71 -16.352 11.612 11.383 1.00 0.00 C ATOM 1086 O ILE A 71 -17.313 11.188 10.737 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.494 10.085 10.645 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.338 9.197 11.119 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.973 11.213 9.761 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.555 8.554 9.992 1.00 0.00 C ATOM 0 H ILE A 71 -16.527 9.031 12.218 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.548 11.210 12.478 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.181 9.477 10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.658 9.796 11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.736 8.414 11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.438 10.791 8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.811 11.811 9.402 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.297 11.845 10.338 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.755 7.942 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.220 7.927 9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.126 9.330 9.358 1.00 0.00 H new ATOM 1102 N MET A 72 -16.198 12.892 11.733 1.00 0.00 N ATOM 1103 CA MET A 72 -17.129 13.956 11.341 1.00 0.00 C ATOM 1104 C MET A 72 -18.504 13.772 11.980 1.00 0.00 C ATOM 1105 O MET A 72 -18.837 14.439 12.962 1.00 0.00 O ATOM 1106 CB MET A 72 -17.253 14.066 9.813 1.00 0.00 C ATOM 1107 CG MET A 72 -15.966 14.501 9.132 1.00 0.00 C ATOM 1108 SD MET A 72 -15.330 16.057 9.784 1.00 0.00 S ATOM 1109 CE MET A 72 -13.868 16.272 8.777 1.00 0.00 C ATOM 0 H MET A 72 -15.418 13.222 12.301 1.00 0.00 H new ATOM 0 HA MET A 72 -16.711 14.891 11.714 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.560 13.101 9.411 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.042 14.778 9.570 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.212 13.724 9.257 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.143 14.605 8.061 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.148 16.894 9.309 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.423 15.299 8.569 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.140 16.754 7.838 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.296 12.876 11.425 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.604 12.589 11.972 1.00 0.00 C ATOM 1121 C GLY A 73 -21.230 11.399 11.289 1.00 0.00 C ATOM 1122 O GLY A 73 -22.454 11.272 11.223 1.00 0.00 O ATOM 0 H GLY A 73 -19.055 12.335 10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.520 12.395 13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.249 13.460 11.856 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.379 10.519 10.786 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.816 9.374 10.013 1.00 0.00 C ATOM 1128 C LYS A 74 -19.971 8.160 10.385 1.00 0.00 C ATOM 1129 O LYS A 74 -18.778 8.294 10.666 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.672 9.690 8.520 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.232 8.626 7.597 1.00 0.00 C ATOM 1132 CD LYS A 74 -22.750 8.592 7.623 1.00 0.00 C ATOM 1133 CE LYS A 74 -23.295 7.633 6.575 1.00 0.00 C ATOM 1134 NZ LYS A 74 -22.873 8.018 5.199 1.00 0.00 N ATOM 0 H LYS A 74 -19.368 10.581 10.903 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.861 9.153 10.229 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.173 10.635 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.616 9.832 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.891 8.813 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.842 7.651 7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.093 8.288 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.142 9.593 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.949 6.623 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -24.383 7.615 6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.384 7.437 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.090 9.022 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.850 7.864 5.094 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.589 6.986 10.413 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.862 5.762 10.710 1.00 0.00 C ATOM 1150 C GLU A 75 -19.034 5.340 9.509 1.00 0.00 C ATOM 1151 O GLU A 75 -19.584 4.875 8.512 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.825 4.630 11.042 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.679 4.855 12.272 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.719 3.764 12.426 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -23.816 4.045 12.946 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -22.453 2.621 11.996 1.00 0.00 O ATOM 0 H GLU A 75 -21.585 6.857 10.235 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.216 5.960 11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.482 4.469 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -20.251 3.714 11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -21.045 4.883 13.158 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -22.173 5.824 12.202 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.727 5.478 9.607 1.00 0.00 N ATOM 1164 CA VAL A 76 -16.850 5.003 8.558 1.00 0.00 C ATOM 1165 C VAL A 76 -16.674 3.498 8.688 1.00 0.00 C ATOM 1166 O VAL A 76 -16.425 2.978 9.779 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.477 5.704 8.592 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.644 7.208 8.466 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.723 5.359 9.864 1.00 0.00 C ATOM 0 H VAL A 76 -17.252 5.913 10.398 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.311 5.241 7.599 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.894 5.347 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.665 7.686 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.137 7.442 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.250 7.577 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.758 5.866 9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.302 5.682 10.729 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.567 4.281 9.913 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.841 2.786 7.591 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.767 1.339 7.633 1.00 0.00 C ATOM 1181 C LYS A 77 -15.722 0.822 6.669 1.00 0.00 C ATOM 1182 O LYS A 77 -15.789 1.071 5.469 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.134 0.729 7.335 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.181 1.120 8.360 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.497 0.397 8.129 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.466 0.626 9.278 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.904 2.045 9.370 1.00 0.00 N ATOM 0 H LYS A 77 -17.027 3.180 6.669 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.469 1.039 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.462 1.047 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.045 -0.357 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.813 0.893 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.346 2.197 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.946 0.744 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.312 -0.671 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.339 -0.014 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.992 0.332 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.467 2.179 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.069 2.665 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.482 2.284 8.539 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.755 0.109 7.216 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.652 -0.418 6.438 1.00 0.00 C ATOM 1203 C VAL A 78 -13.775 -1.930 6.324 1.00 0.00 C ATOM 1204 O VAL A 78 -13.797 -2.638 7.328 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.293 -0.059 7.075 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.142 -0.446 6.159 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.236 1.424 7.416 1.00 0.00 C ATOM 0 H VAL A 78 -14.713 -0.120 8.209 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.696 0.033 5.446 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.192 -0.628 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.196 -0.182 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.169 -1.520 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.235 0.086 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.270 1.657 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.366 2.012 6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.031 1.666 8.121 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.881 -2.413 5.098 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.990 -3.840 4.837 1.00 0.00 C ATOM 1219 C ASN A 79 -12.881 -4.269 3.880 1.00 0.00 C ATOM 1220 O ASN A 79 -12.248 -3.429 3.246 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.365 -4.151 4.230 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.639 -5.638 4.095 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.244 -6.081 3.118 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -15.227 -6.419 5.084 1.00 0.00 N ATOM 0 H ASN A 79 -13.894 -1.832 4.260 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.885 -4.391 5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.139 -3.701 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.434 -3.685 3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.408 -7.422 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.729 -6.017 5.878 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.637 -5.568 3.788 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.619 -6.091 2.888 1.00 0.00 C ATOM 1233 C TRP A 80 -12.084 -6.003 1.437 1.00 0.00 C ATOM 1234 O TRP A 80 -13.034 -6.681 1.042 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.294 -7.543 3.237 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.702 -7.711 4.604 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.330 -8.194 5.713 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.363 -7.393 5.006 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.464 -8.203 6.779 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -9.251 -7.716 6.371 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -8.248 -6.870 4.345 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -8.071 -7.532 7.084 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -7.078 -6.687 5.056 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -6.997 -7.020 6.413 1.00 0.00 C ATOM 0 H TRP A 80 -13.131 -6.280 4.326 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.720 -5.485 3.006 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -12.205 -8.138 3.169 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.598 -7.939 2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.358 -8.522 5.748 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.688 -8.521 7.722 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.300 -6.614 3.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.006 -7.785 8.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -6.211 -6.280 4.556 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -6.067 -6.869 6.940 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.416 -5.174 0.651 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.780 -4.992 -0.743 1.00 0.00 C ATOM 1257 C ALA A 81 -10.910 -5.851 -1.645 1.00 0.00 C ATOM 1258 O ALA A 81 -9.693 -5.671 -1.712 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.669 -3.530 -1.143 1.00 0.00 C ATOM 0 H ALA A 81 -10.618 -4.616 0.956 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.817 -5.306 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.946 -3.417 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.338 -2.932 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.643 -3.191 -1.001 1.00 0.00 H new