USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 564 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 16 ASN : amide:sc= -3.27! K(o=-3.3!,f=-2.2) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 13 ASN : amide:sc= 0.333 K(o=0.33,f=-6.1!) USER MOD Single : A 18 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 21 SER OG : rot 1:sc= 0.0487 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= -0.296 (180deg=-0.331) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 98:sc= 0.174 USER MOD Single : A 35 ASN : amide:sc= 0.438 K(o=0.44,f=-0.19) USER MOD Single : A 38 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -50:sc= -0.329 USER MOD Single : A 46 SER OG : rot 63:sc= 0.677 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -2.21 (180deg=-2.89!) USER MOD Single : A 52 SER OG : rot 120:sc= -0.054 USER MOD Single : A 53 SER OG : rot -131:sc= -0.965 USER MOD Single : A 54 MET CE :methyl -127:sc= -0.922 (180deg=-5.03!) USER MOD Single : A 57 THR OG1 : rot 39:sc= 0.829 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.79 K(o=-2.8,f=-7.2!) USER MOD Single : A 74 GLN : amide:sc= -0.78 K(o=-0.78,f=-4.2!) USER MOD Single : A 75 THR OG1 : rot 82:sc= 0.408 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= -0.0172 (180deg=-0.737) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 46:sc= 1.04 USER MOD Single : A 83 SER OG : rot 4:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.482 41.847 -19.666 1.00 0.00 N ATOM 2 CA GLY A 1 -16.128 41.853 -18.258 1.00 0.00 C ATOM 3 C GLY A 1 -16.444 40.537 -17.576 1.00 0.00 C ATOM 4 O GLY A 1 -17.610 40.164 -17.440 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.247 42.768 -20.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.951 41.098 -20.154 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.502 41.671 -19.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.064 42.066 -18.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.664 42.658 -17.755 1.00 0.00 H new ATOM 8 N SER A 2 -15.404 39.830 -17.146 1.00 0.00 N ATOM 9 CA SER A 2 -15.576 38.545 -16.479 1.00 0.00 C ATOM 10 C SER A 2 -16.628 38.641 -15.378 1.00 0.00 C ATOM 11 O SER A 2 -16.782 39.683 -14.740 1.00 0.00 O ATOM 12 CB SER A 2 -14.246 38.070 -15.889 1.00 0.00 C ATOM 13 OG SER A 2 -14.302 36.696 -15.545 1.00 0.00 O ATOM 0 H SER A 2 -14.433 40.126 -17.248 1.00 0.00 H new ATOM 0 HA SER A 2 -15.915 37.822 -17.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.445 38.235 -16.610 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.006 38.660 -15.005 1.00 0.00 H new ATOM 0 HG SER A 2 -13.440 36.417 -15.172 1.00 0.00 H new ATOM 19 N SER A 3 -17.349 37.546 -15.160 1.00 0.00 N ATOM 20 CA SER A 3 -18.390 37.507 -14.139 1.00 0.00 C ATOM 21 C SER A 3 -18.849 36.074 -13.886 1.00 0.00 C ATOM 22 O SER A 3 -18.984 35.280 -14.817 1.00 0.00 O ATOM 23 CB SER A 3 -19.581 38.369 -14.561 1.00 0.00 C ATOM 24 OG SER A 3 -20.610 38.330 -13.587 1.00 0.00 O ATOM 0 H SER A 3 -17.232 36.674 -15.676 1.00 0.00 H new ATOM 0 HA SER A 3 -17.972 37.905 -13.214 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.255 39.398 -14.709 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.968 38.017 -15.517 1.00 0.00 H new ATOM 0 HG SER A 3 -21.359 38.890 -13.880 1.00 0.00 H new ATOM 30 N GLY A 4 -19.089 35.750 -12.619 1.00 0.00 N ATOM 31 CA GLY A 4 -19.530 34.414 -12.265 1.00 0.00 C ATOM 32 C GLY A 4 -18.636 33.764 -11.228 1.00 0.00 C ATOM 33 O GLY A 4 -17.639 34.348 -10.804 1.00 0.00 O ATOM 0 H GLY A 4 -18.986 36.390 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.550 34.461 -11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.553 33.793 -13.161 1.00 0.00 H new ATOM 37 N SER A 5 -18.995 32.552 -10.816 1.00 0.00 N ATOM 38 CA SER A 5 -18.221 31.824 -9.817 1.00 0.00 C ATOM 39 C SER A 5 -17.941 30.398 -10.280 1.00 0.00 C ATOM 40 O SER A 5 -18.789 29.758 -10.903 1.00 0.00 O ATOM 41 CB SER A 5 -18.966 31.802 -8.481 1.00 0.00 C ATOM 42 OG SER A 5 -18.298 30.983 -7.538 1.00 0.00 O ATOM 0 H SER A 5 -19.817 32.054 -11.158 1.00 0.00 H new ATOM 0 HA SER A 5 -17.269 32.338 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.050 32.816 -8.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.981 31.434 -8.633 1.00 0.00 H new ATOM 0 HG SER A 5 -18.793 30.987 -6.692 1.00 0.00 H new ATOM 48 N SER A 6 -16.746 29.906 -9.970 1.00 0.00 N ATOM 49 CA SER A 6 -16.351 28.556 -10.358 1.00 0.00 C ATOM 50 C SER A 6 -15.948 27.737 -9.136 1.00 0.00 C ATOM 51 O SER A 6 -15.278 28.236 -8.233 1.00 0.00 O ATOM 52 CB SER A 6 -15.194 28.608 -11.356 1.00 0.00 C ATOM 53 OG SER A 6 -14.820 27.305 -11.771 1.00 0.00 O ATOM 0 H SER A 6 -16.034 30.421 -9.452 1.00 0.00 H new ATOM 0 HA SER A 6 -17.207 28.074 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.484 29.200 -12.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.339 29.108 -10.901 1.00 0.00 H new ATOM 0 HG SER A 6 -14.080 27.365 -12.410 1.00 0.00 H new ATOM 59 N GLY A 7 -16.361 26.473 -9.116 1.00 0.00 N ATOM 60 CA GLY A 7 -16.034 25.603 -8.001 1.00 0.00 C ATOM 61 C GLY A 7 -16.555 24.193 -8.193 1.00 0.00 C ATOM 62 O GLY A 7 -17.628 23.993 -8.763 1.00 0.00 O ATOM 0 H GLY A 7 -16.916 26.036 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.952 25.573 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.452 26.020 -7.085 1.00 0.00 H new ATOM 66 N ARG A 8 -15.793 23.213 -7.719 1.00 0.00 N ATOM 67 CA ARG A 8 -16.183 21.813 -7.845 1.00 0.00 C ATOM 68 C ARG A 8 -15.372 20.936 -6.896 1.00 0.00 C ATOM 69 O ARG A 8 -14.204 21.215 -6.622 1.00 0.00 O ATOM 70 CB ARG A 8 -15.993 21.337 -9.286 1.00 0.00 C ATOM 71 CG ARG A 8 -16.756 20.063 -9.611 1.00 0.00 C ATOM 72 CD ARG A 8 -16.789 19.801 -11.109 1.00 0.00 C ATOM 73 NE ARG A 8 -17.429 18.527 -11.428 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.802 17.357 -11.378 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.525 17.300 -11.024 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.452 16.241 -11.682 1.00 0.00 N ATOM 0 H ARG A 8 -14.902 23.362 -7.244 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.237 21.729 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.314 22.126 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.931 21.171 -9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.290 19.219 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.775 20.141 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.324 20.610 -11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.772 19.803 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.411 18.536 -11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.022 18.156 -10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.046 16.400 -10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.434 16.281 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.970 15.343 -11.643 1.00 0.00 H new ATOM 90 N TYR A 9 -15.998 19.875 -6.399 1.00 0.00 N ATOM 91 CA TYR A 9 -15.336 18.958 -5.479 1.00 0.00 C ATOM 92 C TYR A 9 -15.868 17.539 -5.647 1.00 0.00 C ATOM 93 O TYR A 9 -17.074 17.306 -5.734 1.00 0.00 O ATOM 94 CB TYR A 9 -15.533 19.421 -4.034 1.00 0.00 C ATOM 95 CG TYR A 9 -15.457 20.922 -3.864 1.00 0.00 C ATOM 96 CD1 TYR A 9 -14.241 21.555 -3.641 1.00 0.00 C ATOM 97 CD2 TYR A 9 -16.602 21.706 -3.923 1.00 0.00 C ATOM 98 CE1 TYR A 9 -14.167 22.925 -3.484 1.00 0.00 C ATOM 99 CE2 TYR A 9 -16.538 23.077 -3.769 1.00 0.00 C ATOM 100 CZ TYR A 9 -15.318 23.682 -3.549 1.00 0.00 C ATOM 101 OH TYR A 9 -15.250 25.048 -3.393 1.00 0.00 O ATOM 0 H TYR A 9 -16.963 19.629 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.271 18.957 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -16.502 19.072 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.775 18.954 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.338 20.965 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -17.559 21.235 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.213 23.401 -3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.438 23.672 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.149 25.431 -3.467 1.00 0.00 H new ATOM 111 N PRO A 10 -14.948 16.564 -5.693 1.00 0.00 N ATOM 112 CA PRO A 10 -15.299 15.150 -5.849 1.00 0.00 C ATOM 113 C PRO A 10 -15.982 14.581 -4.609 1.00 0.00 C ATOM 114 O PRO A 10 -16.009 15.218 -3.556 1.00 0.00 O ATOM 115 CB PRO A 10 -13.946 14.470 -6.073 1.00 0.00 C ATOM 116 CG PRO A 10 -12.956 15.374 -5.422 1.00 0.00 C ATOM 117 CD PRO A 10 -13.493 16.768 -5.594 1.00 0.00 C ATOM 0 HA PRO A 10 -16.009 14.995 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.925 13.475 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.734 14.350 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.838 15.129 -4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.974 15.274 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.233 17.406 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.092 17.245 -6.488 1.00 0.00 H new ATOM 125 N THR A 11 -16.532 13.378 -4.741 1.00 0.00 N ATOM 126 CA THR A 11 -17.215 12.724 -3.632 1.00 0.00 C ATOM 127 C THR A 11 -17.631 11.305 -4.002 1.00 0.00 C ATOM 128 O THR A 11 -18.378 11.096 -4.957 1.00 0.00 O ATOM 129 CB THR A 11 -18.463 13.515 -3.196 1.00 0.00 C ATOM 130 OG1 THR A 11 -19.282 12.707 -2.343 1.00 0.00 O ATOM 131 CG2 THR A 11 -19.270 13.963 -4.406 1.00 0.00 C ATOM 0 H THR A 11 -16.518 12.837 -5.605 1.00 0.00 H new ATOM 0 HA THR A 11 -16.508 12.688 -2.803 1.00 0.00 H new ATOM 0 HB THR A 11 -18.133 14.400 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.072 13.218 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.146 14.519 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.653 14.602 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.589 13.089 -4.974 1.00 0.00 H new ATOM 139 N ASN A 12 -17.142 10.333 -3.240 1.00 0.00 N ATOM 140 CA ASN A 12 -17.463 8.932 -3.488 1.00 0.00 C ATOM 141 C ASN A 12 -16.934 8.045 -2.365 1.00 0.00 C ATOM 142 O ASN A 12 -15.761 8.120 -2.002 1.00 0.00 O ATOM 143 CB ASN A 12 -16.876 8.482 -4.828 1.00 0.00 C ATOM 144 CG ASN A 12 -17.575 7.256 -5.382 1.00 0.00 C ATOM 145 OD1 ASN A 12 -18.392 7.354 -6.297 1.00 0.00 O ATOM 146 ND2 ASN A 12 -17.255 6.092 -4.828 1.00 0.00 N ATOM 0 H ASN A 12 -16.522 10.489 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 12 -18.548 8.835 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.953 9.297 -5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.815 8.267 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.692 5.232 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.572 6.058 -4.071 1.00 0.00 H new ATOM 153 N ASN A 13 -17.808 7.205 -1.820 1.00 0.00 N ATOM 154 CA ASN A 13 -17.429 6.303 -0.738 1.00 0.00 C ATOM 155 C ASN A 13 -16.048 5.704 -0.988 1.00 0.00 C ATOM 156 O ASN A 13 -15.890 4.804 -1.813 1.00 0.00 O ATOM 157 CB ASN A 13 -18.464 5.186 -0.592 1.00 0.00 C ATOM 158 CG ASN A 13 -19.868 5.721 -0.390 1.00 0.00 C ATOM 159 OD1 ASN A 13 -20.235 6.757 -0.944 1.00 0.00 O ATOM 160 ND2 ASN A 13 -20.661 5.014 0.407 1.00 0.00 N ATOM 0 H ASN A 13 -18.783 7.130 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 13 -17.393 6.879 0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.443 4.556 -1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -18.194 4.553 0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.617 5.324 0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.314 4.161 0.845 1.00 0.00 H new ATOM 167 N PHE A 14 -15.051 6.210 -0.269 1.00 0.00 N ATOM 168 CA PHE A 14 -13.683 5.725 -0.412 1.00 0.00 C ATOM 169 C PHE A 14 -13.425 4.543 0.518 1.00 0.00 C ATOM 170 O PHE A 14 -13.101 4.722 1.691 1.00 0.00 O ATOM 171 CB PHE A 14 -12.688 6.849 -0.116 1.00 0.00 C ATOM 172 CG PHE A 14 -12.989 7.598 1.150 1.00 0.00 C ATOM 173 CD1 PHE A 14 -13.854 8.681 1.140 1.00 0.00 C ATOM 174 CD2 PHE A 14 -12.409 7.220 2.349 1.00 0.00 C ATOM 175 CE1 PHE A 14 -14.132 9.373 2.304 1.00 0.00 C ATOM 176 CE2 PHE A 14 -12.683 7.908 3.516 1.00 0.00 C ATOM 177 CZ PHE A 14 -13.547 8.985 3.494 1.00 0.00 C ATOM 0 H PHE A 14 -15.165 6.955 0.418 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.548 5.391 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.685 6.427 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.685 7.550 -0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.316 8.987 0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.734 6.377 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.806 10.217 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.222 7.604 4.444 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.765 9.523 4.405 1.00 0.00 H new ATOM 187 N GLY A 15 -13.571 3.334 -0.016 1.00 0.00 N ATOM 188 CA GLY A 15 -13.350 2.141 0.779 1.00 0.00 C ATOM 189 C GLY A 15 -12.717 1.020 -0.021 1.00 0.00 C ATOM 190 O GLY A 15 -13.108 -0.140 0.106 1.00 0.00 O ATOM 0 H GLY A 15 -13.838 3.160 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.709 2.386 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.301 1.799 1.188 1.00 0.00 H new ATOM 194 N ASN A 16 -11.737 1.366 -0.850 1.00 0.00 N ATOM 195 CA ASN A 16 -11.050 0.380 -1.676 1.00 0.00 C ATOM 196 C ASN A 16 -9.562 0.700 -1.780 1.00 0.00 C ATOM 197 O ASN A 16 -9.113 1.763 -1.351 1.00 0.00 O ATOM 198 CB ASN A 16 -11.672 0.333 -3.073 1.00 0.00 C ATOM 199 CG ASN A 16 -13.147 0.686 -3.062 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.592 1.564 -3.802 1.00 0.00 O ATOM 201 ND2 ASN A 16 -13.912 0.001 -2.220 1.00 0.00 N ATOM 0 H ASN A 16 -11.401 2.322 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.161 -0.596 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.141 1.024 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.543 -0.665 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.912 0.194 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.499 -0.718 -1.626 1.00 0.00 H new ATOM 208 N CYS A 17 -8.802 -0.228 -2.352 1.00 0.00 N ATOM 209 CA CYS A 17 -7.364 -0.047 -2.513 1.00 0.00 C ATOM 210 C CYS A 17 -7.060 1.243 -3.269 1.00 0.00 C ATOM 211 O CYS A 17 -7.910 1.772 -3.986 1.00 0.00 O ATOM 212 CB CYS A 17 -6.759 -1.240 -3.254 1.00 0.00 C ATOM 213 SG CYS A 17 -4.937 -1.249 -3.286 1.00 0.00 S ATOM 0 H CYS A 17 -9.158 -1.113 -2.712 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.918 0.020 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.108 -2.160 -2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.130 -1.244 -4.279 1.00 0.00 H new ATOM 218 N THR A 18 -5.840 1.746 -3.103 1.00 0.00 N ATOM 219 CA THR A 18 -5.423 2.974 -3.768 1.00 0.00 C ATOM 220 C THR A 18 -4.632 2.671 -5.036 1.00 0.00 C ATOM 221 O THR A 18 -4.106 3.577 -5.682 1.00 0.00 O ATOM 222 CB THR A 18 -4.565 3.853 -2.839 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.077 3.799 -1.503 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.546 5.295 -3.322 1.00 0.00 C ATOM 0 H THR A 18 -5.124 1.321 -2.514 1.00 0.00 H new ATOM 0 HA THR A 18 -6.332 3.516 -4.030 1.00 0.00 H new ATOM 0 HB THR A 18 -3.545 3.469 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.731 3.000 -1.052 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.934 5.896 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.128 5.336 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.563 5.688 -3.335 1.00 0.00 H new ATOM 232 N GLY A 19 -4.553 1.391 -5.387 1.00 0.00 N ATOM 233 CA GLY A 19 -3.824 0.993 -6.577 1.00 0.00 C ATOM 234 C GLY A 19 -4.684 0.208 -7.548 1.00 0.00 C ATOM 235 O GLY A 19 -4.819 0.584 -8.713 1.00 0.00 O ATOM 0 H GLY A 19 -4.980 0.623 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.436 1.881 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.964 0.389 -6.288 1.00 0.00 H new ATOM 239 N CYS A 20 -5.268 -0.885 -7.069 1.00 0.00 N ATOM 240 CA CYS A 20 -6.118 -1.727 -7.902 1.00 0.00 C ATOM 241 C CYS A 20 -7.592 -1.499 -7.580 1.00 0.00 C ATOM 242 O CYS A 20 -8.462 -2.223 -8.062 1.00 0.00 O ATOM 243 CB CYS A 20 -5.763 -3.202 -7.704 1.00 0.00 C ATOM 244 SG CYS A 20 -6.092 -3.826 -6.025 1.00 0.00 S ATOM 0 H CYS A 20 -5.168 -1.209 -6.107 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.946 -1.456 -8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.328 -3.800 -8.419 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.707 -3.344 -7.933 1.00 0.00 H new ATOM 249 N SER A 21 -7.864 -0.488 -6.761 1.00 0.00 N ATOM 250 CA SER A 21 -9.231 -0.166 -6.371 1.00 0.00 C ATOM 251 C SER A 21 -10.044 -1.437 -6.144 1.00 0.00 C ATOM 252 O SER A 21 -11.202 -1.527 -6.551 1.00 0.00 O ATOM 253 CB SER A 21 -9.900 0.696 -7.443 1.00 0.00 C ATOM 254 OG SER A 21 -9.989 0.001 -8.675 1.00 0.00 O ATOM 0 H SER A 21 -7.155 0.122 -6.355 1.00 0.00 H new ATOM 0 HA SER A 21 -9.194 0.393 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.898 0.984 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.332 1.616 -7.581 1.00 0.00 H new ATOM 0 HG SER A 21 -9.606 -0.895 -8.573 1.00 0.00 H new ATOM 260 N ALA A 22 -9.428 -2.418 -5.492 1.00 0.00 N ATOM 261 CA ALA A 22 -10.094 -3.683 -5.209 1.00 0.00 C ATOM 262 C ALA A 22 -10.679 -3.693 -3.800 1.00 0.00 C ATOM 263 O ALA A 22 -9.964 -3.909 -2.821 1.00 0.00 O ATOM 264 CB ALA A 22 -9.124 -4.842 -5.387 1.00 0.00 C ATOM 0 H ALA A 22 -8.469 -2.361 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.915 -3.798 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.635 -5.780 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.757 -4.855 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.284 -4.722 -4.703 1.00 0.00 H new ATOM 270 N THR A 23 -11.983 -3.455 -3.704 1.00 0.00 N ATOM 271 CA THR A 23 -12.663 -3.435 -2.415 1.00 0.00 C ATOM 272 C THR A 23 -12.126 -4.523 -1.493 1.00 0.00 C ATOM 273 O THR A 23 -11.727 -5.595 -1.947 1.00 0.00 O ATOM 274 CB THR A 23 -14.184 -3.621 -2.579 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.673 -2.765 -3.617 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.910 -3.315 -1.278 1.00 0.00 C ATOM 0 H THR A 23 -12.590 -3.273 -4.504 1.00 0.00 H new ATOM 0 HA THR A 23 -12.470 -2.459 -1.971 1.00 0.00 H new ATOM 0 HB THR A 23 -14.374 -4.660 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.640 -2.890 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.982 -3.453 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.557 -3.988 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.712 -2.284 -0.985 1.00 0.00 H new ATOM 284 N PHE A 24 -12.119 -4.240 -0.194 1.00 0.00 N ATOM 285 CA PHE A 24 -11.630 -5.196 0.793 1.00 0.00 C ATOM 286 C PHE A 24 -12.773 -6.049 1.337 1.00 0.00 C ATOM 287 O PHE A 24 -13.571 -5.590 2.154 1.00 0.00 O ATOM 288 CB PHE A 24 -10.935 -4.463 1.943 1.00 0.00 C ATOM 289 CG PHE A 24 -9.931 -3.445 1.484 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.641 -3.826 1.151 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.277 -2.107 1.386 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.714 -2.891 0.728 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.354 -1.168 0.963 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.071 -1.561 0.635 1.00 0.00 C ATOM 0 H PHE A 24 -12.446 -3.357 0.199 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.912 -5.852 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.688 -3.968 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.435 -5.193 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.356 -4.865 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.278 -1.794 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.712 -3.201 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.636 -0.128 0.889 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.348 -0.829 0.306 1.00 0.00 H new ATOM 304 N SER A 25 -12.845 -7.294 0.875 1.00 0.00 N ATOM 305 CA SER A 25 -13.892 -8.211 1.311 1.00 0.00 C ATOM 306 C SER A 25 -13.639 -8.685 2.739 1.00 0.00 C ATOM 307 O SER A 25 -12.644 -8.314 3.362 1.00 0.00 O ATOM 308 CB SER A 25 -13.970 -9.413 0.368 1.00 0.00 C ATOM 309 OG SER A 25 -15.287 -9.933 0.313 1.00 0.00 O ATOM 0 H SER A 25 -12.191 -7.690 0.200 1.00 0.00 H new ATOM 0 HA SER A 25 -14.842 -7.677 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.651 -9.117 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.283 -10.189 0.705 1.00 0.00 H new ATOM 0 HG SER A 25 -15.311 -10.699 -0.298 1.00 0.00 H new ATOM 315 N VAL A 26 -14.547 -9.509 3.251 1.00 0.00 N ATOM 316 CA VAL A 26 -14.424 -10.037 4.605 1.00 0.00 C ATOM 317 C VAL A 26 -13.074 -10.715 4.810 1.00 0.00 C ATOM 318 O VAL A 26 -12.518 -10.697 5.909 1.00 0.00 O ATOM 319 CB VAL A 26 -15.545 -11.045 4.919 1.00 0.00 C ATOM 320 CG1 VAL A 26 -16.846 -10.318 5.224 1.00 0.00 C ATOM 321 CG2 VAL A 26 -15.726 -12.017 3.764 1.00 0.00 C ATOM 0 H VAL A 26 -15.376 -9.826 2.749 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.508 -9.188 5.284 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.260 -11.616 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -17.627 -11.046 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.705 -9.666 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -17.140 -9.720 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.522 -12.722 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.989 -11.465 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.797 -12.562 3.598 1.00 0.00 H new ATOM 331 N LEU A 27 -12.551 -11.312 3.744 1.00 0.00 N ATOM 332 CA LEU A 27 -11.264 -11.997 3.806 1.00 0.00 C ATOM 333 C LEU A 27 -10.112 -11.004 3.685 1.00 0.00 C ATOM 334 O LEU A 27 -9.258 -10.916 4.567 1.00 0.00 O ATOM 335 CB LEU A 27 -11.168 -13.045 2.696 1.00 0.00 C ATOM 336 CG LEU A 27 -11.668 -14.446 3.050 1.00 0.00 C ATOM 337 CD1 LEU A 27 -10.617 -15.202 3.848 1.00 0.00 C ATOM 338 CD2 LEU A 27 -12.974 -14.365 3.827 1.00 0.00 C ATOM 0 H LEU A 27 -12.998 -11.336 2.827 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.191 -12.494 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.733 -12.686 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.126 -13.121 2.385 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.852 -14.990 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.990 -16.197 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.706 -15.291 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.401 -14.661 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.315 -15.371 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.816 -13.803 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.728 -13.863 3.220 1.00 0.00 H new ATOM 350 N LYS A 28 -10.097 -10.255 2.587 1.00 0.00 N ATOM 351 CA LYS A 28 -9.053 -9.265 2.350 1.00 0.00 C ATOM 352 C LYS A 28 -9.021 -8.230 3.471 1.00 0.00 C ATOM 353 O LYS A 28 -9.968 -7.464 3.650 1.00 0.00 O ATOM 354 CB LYS A 28 -9.277 -8.569 1.006 1.00 0.00 C ATOM 355 CG LYS A 28 -7.996 -8.074 0.357 1.00 0.00 C ATOM 356 CD LYS A 28 -8.285 -7.119 -0.789 1.00 0.00 C ATOM 357 CE LYS A 28 -8.520 -7.866 -2.092 1.00 0.00 C ATOM 358 NZ LYS A 28 -9.337 -7.070 -3.049 1.00 0.00 N ATOM 0 H LYS A 28 -10.797 -10.315 1.847 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.094 -9.783 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.775 -9.261 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.951 -7.725 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.379 -7.573 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.422 -8.924 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.162 -6.517 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.449 -6.430 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.561 -8.110 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.023 -8.810 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.361 -7.553 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.306 -6.974 -2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.916 -6.126 -3.164 1.00 0.00 H new ATOM 372 N LYS A 29 -7.924 -8.212 4.221 1.00 0.00 N ATOM 373 CA LYS A 29 -7.766 -7.270 5.323 1.00 0.00 C ATOM 374 C LYS A 29 -7.078 -5.993 4.852 1.00 0.00 C ATOM 375 O LYS A 29 -5.916 -6.017 4.444 1.00 0.00 O ATOM 376 CB LYS A 29 -6.960 -7.908 6.456 1.00 0.00 C ATOM 377 CG LYS A 29 -5.562 -8.336 6.042 1.00 0.00 C ATOM 378 CD LYS A 29 -5.092 -9.545 6.832 1.00 0.00 C ATOM 379 CE LYS A 29 -4.033 -10.330 6.073 1.00 0.00 C ATOM 380 NZ LYS A 29 -3.614 -11.554 6.811 1.00 0.00 N ATOM 0 H LYS A 29 -7.131 -8.839 4.086 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.759 -7.012 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.885 -7.199 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.501 -8.777 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.552 -8.570 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.868 -7.509 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.688 -9.220 7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.942 -10.193 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.422 -10.611 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.164 -9.695 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.892 -12.061 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.220 -11.284 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.438 -12.173 6.953 1.00 0.00 H new ATOM 394 N ARG A 30 -7.801 -4.879 4.912 1.00 0.00 N ATOM 395 CA ARG A 30 -7.259 -3.593 4.492 1.00 0.00 C ATOM 396 C ARG A 30 -5.882 -3.356 5.105 1.00 0.00 C ATOM 397 O ARG A 30 -5.754 -3.169 6.315 1.00 0.00 O ATOM 398 CB ARG A 30 -8.208 -2.461 4.891 1.00 0.00 C ATOM 399 CG ARG A 30 -8.137 -1.254 3.969 1.00 0.00 C ATOM 400 CD ARG A 30 -9.474 -0.534 3.891 1.00 0.00 C ATOM 401 NE ARG A 30 -9.677 0.367 5.023 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.531 1.385 5.009 1.00 0.00 C ATOM 403 NH1 ARG A 30 -11.257 1.629 3.927 1.00 0.00 N ATOM 404 NH2 ARG A 30 -10.659 2.159 6.078 1.00 0.00 N ATOM 0 H ARG A 30 -8.764 -4.842 5.247 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.157 -3.608 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.230 -2.841 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.976 -2.145 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.372 -0.565 4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.836 -1.574 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.526 0.034 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.280 -1.268 3.862 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.133 0.206 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.161 1.035 3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.912 2.411 3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.102 1.973 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.315 2.940 6.066 1.00 0.00 H new ATOM 418 N ARG A 31 -4.854 -3.367 4.262 1.00 0.00 N ATOM 419 CA ARG A 31 -3.487 -3.156 4.722 1.00 0.00 C ATOM 420 C ARG A 31 -3.135 -1.672 4.716 1.00 0.00 C ATOM 421 O ARG A 31 -3.700 -0.892 3.949 1.00 0.00 O ATOM 422 CB ARG A 31 -2.505 -3.928 3.839 1.00 0.00 C ATOM 423 CG ARG A 31 -2.224 -5.339 4.330 1.00 0.00 C ATOM 424 CD ARG A 31 -1.599 -6.194 3.238 1.00 0.00 C ATOM 425 NE ARG A 31 -0.142 -6.089 3.227 1.00 0.00 N ATOM 426 CZ ARG A 31 0.631 -6.487 4.231 1.00 0.00 C ATOM 427 NH1 ARG A 31 0.089 -7.014 5.321 1.00 0.00 N ATOM 428 NH2 ARG A 31 1.949 -6.359 4.147 1.00 0.00 N ATOM 0 H ARG A 31 -4.942 -3.520 3.257 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.413 -3.525 5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.903 -3.978 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.566 -3.377 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.556 -5.300 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.152 -5.800 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.886 -7.235 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.992 -5.888 2.268 1.00 0.00 H new ATOM 0 HE ARG A 31 0.306 -5.688 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.924 -7.114 5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.685 -7.319 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.370 -5.954 3.311 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.541 -6.665 4.919 1.00 0.00 H new ATOM 442 N SER A 32 -2.197 -1.288 5.576 1.00 0.00 N ATOM 443 CA SER A 32 -1.772 0.104 5.673 1.00 0.00 C ATOM 444 C SER A 32 -0.293 0.246 5.327 1.00 0.00 C ATOM 445 O SER A 32 0.566 -0.374 5.955 1.00 0.00 O ATOM 446 CB SER A 32 -2.032 0.642 7.081 1.00 0.00 C ATOM 447 OG SER A 32 -3.421 0.719 7.349 1.00 0.00 O ATOM 0 H SER A 32 -1.717 -1.921 6.216 1.00 0.00 H new ATOM 0 HA SER A 32 -2.352 0.686 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.552 -0.005 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.583 1.630 7.185 1.00 0.00 H new ATOM 0 HG SER A 32 -3.561 1.064 8.256 1.00 0.00 H new ATOM 453 N CYS A 33 -0.002 1.066 4.322 1.00 0.00 N ATOM 454 CA CYS A 33 1.372 1.290 3.891 1.00 0.00 C ATOM 455 C CYS A 33 2.226 1.810 5.043 1.00 0.00 C ATOM 456 O CYS A 33 1.704 2.259 6.064 1.00 0.00 O ATOM 457 CB CYS A 33 1.407 2.284 2.727 1.00 0.00 C ATOM 458 SG CYS A 33 3.047 2.466 1.955 1.00 0.00 S ATOM 0 H CYS A 33 -0.700 1.586 3.791 1.00 0.00 H new ATOM 0 HA CYS A 33 1.783 0.336 3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.693 1.964 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.075 3.259 3.085 1.00 0.00 H new ATOM 463 N SER A 34 3.543 1.746 4.873 1.00 0.00 N ATOM 464 CA SER A 34 4.470 2.206 5.900 1.00 0.00 C ATOM 465 C SER A 34 5.046 3.572 5.539 1.00 0.00 C ATOM 466 O SER A 34 5.350 4.380 6.415 1.00 0.00 O ATOM 467 CB SER A 34 5.604 1.195 6.083 1.00 0.00 C ATOM 468 OG SER A 34 5.206 0.131 6.930 1.00 0.00 O ATOM 0 H SER A 34 3.992 1.380 4.033 1.00 0.00 H new ATOM 0 HA SER A 34 3.920 2.298 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.903 0.799 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.476 1.694 6.506 1.00 0.00 H new ATOM 0 HG SER A 34 4.929 -0.635 6.385 1.00 0.00 H new ATOM 474 N ASN A 35 5.191 3.822 4.242 1.00 0.00 N ATOM 475 CA ASN A 35 5.731 5.090 3.764 1.00 0.00 C ATOM 476 C ASN A 35 4.630 6.140 3.646 1.00 0.00 C ATOM 477 O ASN A 35 4.530 7.046 4.473 1.00 0.00 O ATOM 478 CB ASN A 35 6.415 4.898 2.409 1.00 0.00 C ATOM 479 CG ASN A 35 6.817 6.215 1.773 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.301 7.122 2.450 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.617 6.326 0.465 1.00 0.00 N ATOM 0 H ASN A 35 4.942 3.164 3.503 1.00 0.00 H new ATOM 0 HA ASN A 35 6.466 5.440 4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.300 4.274 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.742 4.364 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.867 7.189 -0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.213 5.548 -0.057 1.00 0.00 H new ATOM 488 N CYS A 36 3.804 6.010 2.613 1.00 0.00 N ATOM 489 CA CYS A 36 2.710 6.946 2.386 1.00 0.00 C ATOM 490 C CYS A 36 1.657 6.829 3.484 1.00 0.00 C ATOM 491 O CYS A 36 1.049 7.821 3.885 1.00 0.00 O ATOM 492 CB CYS A 36 2.069 6.692 1.020 1.00 0.00 C ATOM 493 SG CYS A 36 1.084 5.161 0.934 1.00 0.00 S ATOM 0 H CYS A 36 3.872 5.265 1.920 1.00 0.00 H new ATOM 0 HA CYS A 36 3.119 7.956 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.429 7.538 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.854 6.650 0.265 1.00 0.00 H new ATOM 498 N GLY A 37 1.447 5.608 3.967 1.00 0.00 N ATOM 499 CA GLY A 37 0.467 5.383 5.014 1.00 0.00 C ATOM 500 C GLY A 37 -0.953 5.365 4.486 1.00 0.00 C ATOM 501 O GLY A 37 -1.872 5.855 5.140 1.00 0.00 O ATOM 0 H GLY A 37 1.938 4.771 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.679 4.435 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.561 6.164 5.769 1.00 0.00 H new ATOM 505 N ASN A 38 -1.133 4.800 3.296 1.00 0.00 N ATOM 506 CA ASN A 38 -2.452 4.723 2.678 1.00 0.00 C ATOM 507 C ASN A 38 -2.998 3.299 2.737 1.00 0.00 C ATOM 508 O ASN A 38 -2.304 2.375 3.161 1.00 0.00 O ATOM 509 CB ASN A 38 -2.386 5.196 1.225 1.00 0.00 C ATOM 510 CG ASN A 38 -1.627 6.501 1.075 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.550 7.297 2.011 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.064 6.725 -0.106 1.00 0.00 N ATOM 0 H ASN A 38 -0.382 4.389 2.741 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.125 5.375 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.907 4.428 0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.398 5.321 0.840 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.541 7.586 -0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.154 6.036 -0.853 1.00 0.00 H new ATOM 519 N SER A 39 -4.245 3.131 2.309 1.00 0.00 N ATOM 520 CA SER A 39 -4.885 1.821 2.316 1.00 0.00 C ATOM 521 C SER A 39 -4.552 1.047 1.044 1.00 0.00 C ATOM 522 O SER A 39 -4.571 1.600 -0.056 1.00 0.00 O ATOM 523 CB SER A 39 -6.402 1.972 2.452 1.00 0.00 C ATOM 524 OG SER A 39 -6.892 2.988 1.595 1.00 0.00 O ATOM 0 H SER A 39 -4.832 3.885 1.953 1.00 0.00 H new ATOM 0 HA SER A 39 -4.504 1.262 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.888 1.026 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.656 2.210 3.485 1.00 0.00 H new ATOM 0 HG SER A 39 -7.863 3.064 1.699 1.00 0.00 H new ATOM 530 N PHE A 40 -4.248 -0.236 1.203 1.00 0.00 N ATOM 531 CA PHE A 40 -3.909 -1.088 0.068 1.00 0.00 C ATOM 532 C PHE A 40 -4.335 -2.530 0.325 1.00 0.00 C ATOM 533 O PHE A 40 -4.598 -2.919 1.463 1.00 0.00 O ATOM 534 CB PHE A 40 -2.406 -1.029 -0.210 1.00 0.00 C ATOM 535 CG PHE A 40 -1.943 0.302 -0.729 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.128 0.644 -2.059 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.324 1.212 0.113 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.704 1.869 -2.540 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.898 2.438 -0.362 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.088 2.766 -1.691 1.00 0.00 C ATOM 0 H PHE A 40 -4.229 -0.709 2.106 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.447 -0.719 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.866 -1.260 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.148 -1.802 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.609 -0.054 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.173 0.960 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.855 2.124 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.417 3.139 0.305 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.755 3.723 -2.065 1.00 0.00 H new ATOM 550 N CYS A 41 -4.401 -3.320 -0.742 1.00 0.00 N ATOM 551 CA CYS A 41 -4.795 -4.720 -0.634 1.00 0.00 C ATOM 552 C CYS A 41 -3.609 -5.589 -0.225 1.00 0.00 C ATOM 553 O CYS A 41 -2.520 -5.083 0.045 1.00 0.00 O ATOM 554 CB CYS A 41 -5.367 -5.213 -1.965 1.00 0.00 C ATOM 555 SG CYS A 41 -4.205 -5.099 -3.363 1.00 0.00 S ATOM 0 H CYS A 41 -4.187 -3.014 -1.691 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.562 -4.798 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.681 -6.251 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.260 -4.634 -2.201 1.00 0.00 H new ATOM 560 N SER A 42 -3.831 -6.899 -0.180 1.00 0.00 N ATOM 561 CA SER A 42 -2.782 -7.838 0.200 1.00 0.00 C ATOM 562 C SER A 42 -1.928 -8.217 -1.006 1.00 0.00 C ATOM 563 O SER A 42 -1.147 -9.166 -0.954 1.00 0.00 O ATOM 564 CB SER A 42 -3.395 -9.096 0.819 1.00 0.00 C ATOM 565 OG SER A 42 -3.763 -8.872 2.170 1.00 0.00 O ATOM 0 H SER A 42 -4.727 -7.334 -0.402 1.00 0.00 H new ATOM 0 HA SER A 42 -2.143 -7.352 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.271 -9.398 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.680 -9.917 0.765 1.00 0.00 H new ATOM 0 HG SER A 42 -4.154 -9.690 2.543 1.00 0.00 H new ATOM 571 N ARG A 43 -2.084 -7.467 -2.092 1.00 0.00 N ATOM 572 CA ARG A 43 -1.329 -7.723 -3.313 1.00 0.00 C ATOM 573 C ARG A 43 -0.493 -6.507 -3.700 1.00 0.00 C ATOM 574 O ARG A 43 0.545 -6.635 -4.351 1.00 0.00 O ATOM 575 CB ARG A 43 -2.276 -8.089 -4.457 1.00 0.00 C ATOM 576 CG ARG A 43 -3.050 -9.375 -4.218 1.00 0.00 C ATOM 577 CD ARG A 43 -4.031 -9.653 -5.347 1.00 0.00 C ATOM 578 NE ARG A 43 -3.367 -10.199 -6.527 1.00 0.00 N ATOM 579 CZ ARG A 43 -3.996 -10.888 -7.472 1.00 0.00 C ATOM 580 NH1 ARG A 43 -5.299 -11.114 -7.376 1.00 0.00 N ATOM 581 NH2 ARG A 43 -3.322 -11.352 -8.517 1.00 0.00 N ATOM 0 H ARG A 43 -2.726 -6.677 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.657 -8.560 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.982 -7.273 -4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.700 -8.187 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.354 -10.208 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.590 -9.306 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.791 -10.354 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.546 -8.730 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.364 -10.043 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.821 -10.758 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.780 -11.644 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.320 -11.180 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.806 -11.881 -9.242 1.00 0.00 H new ATOM 595 N CYS A 44 -0.952 -5.327 -3.297 1.00 0.00 N ATOM 596 CA CYS A 44 -0.248 -4.087 -3.603 1.00 0.00 C ATOM 597 C CYS A 44 0.710 -3.714 -2.475 1.00 0.00 C ATOM 598 O CYS A 44 1.754 -3.104 -2.711 1.00 0.00 O ATOM 599 CB CYS A 44 -1.248 -2.952 -3.834 1.00 0.00 C ATOM 600 SG CYS A 44 -2.210 -3.110 -5.372 1.00 0.00 S ATOM 0 H CYS A 44 -1.809 -5.203 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 44 0.332 -4.242 -4.513 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.937 -2.912 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.709 -2.005 -3.851 1.00 0.00 H new ATOM 605 N CYS A 45 0.348 -4.084 -1.252 1.00 0.00 N ATOM 606 CA CYS A 45 1.175 -3.788 -0.088 1.00 0.00 C ATOM 607 C CYS A 45 1.989 -5.010 0.326 1.00 0.00 C ATOM 608 O CYS A 45 2.200 -5.255 1.514 1.00 0.00 O ATOM 609 CB CYS A 45 0.302 -3.323 1.079 1.00 0.00 C ATOM 610 SG CYS A 45 1.236 -2.717 2.504 1.00 0.00 S ATOM 0 H CYS A 45 -0.512 -4.589 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 45 1.865 -2.988 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.361 -2.532 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.330 -4.151 1.398 1.00 0.00 H new ATOM 0 HG CYS A 45 2.146 -3.587 2.828 1.00 0.00 H new ATOM 616 N SER A 46 2.443 -5.774 -0.662 1.00 0.00 N ATOM 617 CA SER A 46 3.229 -6.974 -0.401 1.00 0.00 C ATOM 618 C SER A 46 4.690 -6.761 -0.786 1.00 0.00 C ATOM 619 O SER A 46 5.373 -7.691 -1.214 1.00 0.00 O ATOM 620 CB SER A 46 2.655 -8.163 -1.174 1.00 0.00 C ATOM 621 OG SER A 46 3.163 -8.206 -2.496 1.00 0.00 O ATOM 0 H SER A 46 2.280 -5.583 -1.651 1.00 0.00 H new ATOM 0 HA SER A 46 3.180 -7.186 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.901 -9.090 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.568 -8.092 -1.201 1.00 0.00 H new ATOM 0 HG SER A 46 4.134 -8.339 -2.469 1.00 0.00 H new ATOM 627 N PHE A 47 5.162 -5.528 -0.629 1.00 0.00 N ATOM 628 CA PHE A 47 6.542 -5.191 -0.960 1.00 0.00 C ATOM 629 C PHE A 47 7.289 -4.686 0.271 1.00 0.00 C ATOM 630 O PHE A 47 6.861 -3.735 0.925 1.00 0.00 O ATOM 631 CB PHE A 47 6.579 -4.131 -2.063 1.00 0.00 C ATOM 632 CG PHE A 47 6.076 -4.627 -3.389 1.00 0.00 C ATOM 633 CD1 PHE A 47 4.722 -4.610 -3.681 1.00 0.00 C ATOM 634 CD2 PHE A 47 6.958 -5.110 -4.342 1.00 0.00 C ATOM 635 CE1 PHE A 47 4.256 -5.066 -4.900 1.00 0.00 C ATOM 636 CE2 PHE A 47 6.497 -5.566 -5.563 1.00 0.00 C ATOM 637 CZ PHE A 47 5.145 -5.545 -5.842 1.00 0.00 C ATOM 0 H PHE A 47 4.610 -4.747 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 47 7.035 -6.095 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.980 -3.275 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.603 -3.777 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.022 -4.236 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.017 -5.131 -4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.198 -5.048 -5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.194 -5.939 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.783 -5.902 -6.795 1.00 0.00 H new ATOM 647 N LYS A 48 8.408 -5.332 0.582 1.00 0.00 N ATOM 648 CA LYS A 48 9.217 -4.950 1.734 1.00 0.00 C ATOM 649 C LYS A 48 10.359 -4.030 1.315 1.00 0.00 C ATOM 650 O LYS A 48 11.087 -4.320 0.366 1.00 0.00 O ATOM 651 CB LYS A 48 9.778 -6.196 2.424 1.00 0.00 C ATOM 652 CG LYS A 48 8.756 -6.934 3.271 1.00 0.00 C ATOM 653 CD LYS A 48 9.408 -7.622 4.458 1.00 0.00 C ATOM 654 CE LYS A 48 10.341 -8.737 4.013 1.00 0.00 C ATOM 655 NZ LYS A 48 10.507 -9.776 5.067 1.00 0.00 N ATOM 0 H LYS A 48 8.775 -6.123 0.052 1.00 0.00 H new ATOM 0 HA LYS A 48 8.578 -4.411 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.169 -6.876 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.618 -5.905 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.001 -6.232 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.241 -7.674 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.966 -6.890 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.637 -8.030 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.949 -9.199 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.315 -8.317 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.150 -10.518 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.905 -9.341 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.582 -10.195 5.290 1.00 0.00 H new ATOM 669 N VAL A 49 10.512 -2.920 2.031 1.00 0.00 N ATOM 670 CA VAL A 49 11.567 -1.959 1.736 1.00 0.00 C ATOM 671 C VAL A 49 12.221 -1.451 3.015 1.00 0.00 C ATOM 672 O VAL A 49 11.596 -1.374 4.073 1.00 0.00 O ATOM 673 CB VAL A 49 11.026 -0.759 0.937 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.416 -1.222 -0.377 1.00 0.00 C ATOM 675 CG2 VAL A 49 10.008 0.014 1.763 1.00 0.00 C ATOM 0 H VAL A 49 9.918 -2.665 2.820 1.00 0.00 H new ATOM 0 HA VAL A 49 12.311 -2.481 1.134 1.00 0.00 H new ATOM 0 HB VAL A 49 11.858 -0.093 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.039 -0.360 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.176 -1.729 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.595 -1.910 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.636 0.859 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.177 -0.642 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.481 0.379 2.674 1.00 0.00 H new ATOM 685 N PRO A 50 13.511 -1.094 2.919 1.00 0.00 N ATOM 686 CA PRO A 50 14.279 -0.585 4.060 1.00 0.00 C ATOM 687 C PRO A 50 13.825 0.805 4.490 1.00 0.00 C ATOM 688 O PRO A 50 13.839 1.748 3.698 1.00 0.00 O ATOM 689 CB PRO A 50 15.714 -0.539 3.529 1.00 0.00 C ATOM 690 CG PRO A 50 15.567 -0.405 2.053 1.00 0.00 C ATOM 691 CD PRO A 50 14.319 -1.160 1.690 1.00 0.00 C ATOM 0 HA PRO A 50 14.157 -1.210 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.265 0.302 3.950 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.263 -1.443 3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.488 0.643 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.435 -0.814 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.804 -0.702 0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.540 -2.190 1.409 1.00 0.00 H new ATOM 699 N LYS A 51 13.421 0.927 5.750 1.00 0.00 N ATOM 700 CA LYS A 51 12.964 2.203 6.288 1.00 0.00 C ATOM 701 C LYS A 51 14.147 3.096 6.649 1.00 0.00 C ATOM 702 O LYS A 51 14.173 4.278 6.305 1.00 0.00 O ATOM 703 CB LYS A 51 12.088 1.976 7.522 1.00 0.00 C ATOM 704 CG LYS A 51 12.824 1.324 8.679 1.00 0.00 C ATOM 705 CD LYS A 51 11.886 1.016 9.834 1.00 0.00 C ATOM 706 CE LYS A 51 11.251 2.281 10.390 1.00 0.00 C ATOM 707 NZ LYS A 51 10.029 2.668 9.632 1.00 0.00 N ATOM 0 H LYS A 51 13.401 0.157 6.418 1.00 0.00 H new ATOM 0 HA LYS A 51 12.375 2.703 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.685 2.933 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.239 1.351 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.297 0.403 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.621 1.984 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.105 0.333 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.436 0.506 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.995 2.128 11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.974 3.096 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.980 3.704 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.067 2.255 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.186 2.315 10.129 1.00 0.00 H new ATOM 721 N SER A 52 15.125 2.523 7.344 1.00 0.00 N ATOM 722 CA SER A 52 16.309 3.268 7.754 1.00 0.00 C ATOM 723 C SER A 52 16.982 3.924 6.551 1.00 0.00 C ATOM 724 O SER A 52 17.393 5.083 6.611 1.00 0.00 O ATOM 725 CB SER A 52 17.299 2.343 8.464 1.00 0.00 C ATOM 726 OG SER A 52 17.820 1.373 7.573 1.00 0.00 O ATOM 0 H SER A 52 15.120 1.545 7.635 1.00 0.00 H new ATOM 0 HA SER A 52 15.994 4.051 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.115 2.932 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.803 1.846 9.298 1.00 0.00 H new ATOM 0 HG SER A 52 18.794 1.468 7.519 1.00 0.00 H new ATOM 732 N SER A 53 17.089 3.174 5.460 1.00 0.00 N ATOM 733 CA SER A 53 17.715 3.679 4.243 1.00 0.00 C ATOM 734 C SER A 53 16.660 4.086 3.219 1.00 0.00 C ATOM 735 O SER A 53 16.820 3.852 2.021 1.00 0.00 O ATOM 736 CB SER A 53 18.643 2.620 3.644 1.00 0.00 C ATOM 737 OG SER A 53 17.901 1.557 3.072 1.00 0.00 O ATOM 0 H SER A 53 16.750 2.214 5.393 1.00 0.00 H new ATOM 0 HA SER A 53 18.302 4.560 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 53 19.277 3.076 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 53 19.304 2.231 4.419 1.00 0.00 H new ATOM 0 HG SER A 53 18.258 0.701 3.389 1.00 0.00 H new ATOM 743 N MET A 54 15.583 4.697 3.700 1.00 0.00 N ATOM 744 CA MET A 54 14.501 5.139 2.826 1.00 0.00 C ATOM 745 C MET A 54 14.711 6.586 2.391 1.00 0.00 C ATOM 746 O MET A 54 14.815 6.877 1.200 1.00 0.00 O ATOM 747 CB MET A 54 13.154 4.997 3.536 1.00 0.00 C ATOM 748 CG MET A 54 11.984 4.797 2.585 1.00 0.00 C ATOM 749 SD MET A 54 10.389 4.866 3.423 1.00 0.00 S ATOM 750 CE MET A 54 10.281 3.204 4.083 1.00 0.00 C ATOM 0 H MET A 54 15.435 4.898 4.689 1.00 0.00 H new ATOM 0 HA MET A 54 14.503 4.508 1.937 1.00 0.00 H new ATOM 0 HB2 MET A 54 13.202 4.152 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 54 12.974 5.888 4.138 1.00 0.00 H new ATOM 0 HG2 MET A 54 12.016 5.562 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 54 12.087 3.833 2.086 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.337 2.752 3.778 1.00 0.00 H new ATOM 0 HE2 MET A 54 11.109 2.607 3.702 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.331 3.241 5.171 1.00 0.00 H new ATOM 760 N GLY A 55 14.771 7.489 3.364 1.00 0.00 N ATOM 761 CA GLY A 55 14.967 8.895 3.060 1.00 0.00 C ATOM 762 C GLY A 55 15.491 9.677 4.248 1.00 0.00 C ATOM 763 O GLY A 55 16.330 10.564 4.094 1.00 0.00 O ATOM 0 H GLY A 55 14.687 7.273 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.666 8.990 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.022 9.328 2.732 1.00 0.00 H new ATOM 767 N ALA A 56 14.995 9.349 5.437 1.00 0.00 N ATOM 768 CA ALA A 56 15.419 10.027 6.655 1.00 0.00 C ATOM 769 C ALA A 56 16.073 9.051 7.627 1.00 0.00 C ATOM 770 O ALA A 56 15.404 8.462 8.478 1.00 0.00 O ATOM 771 CB ALA A 56 14.234 10.717 7.315 1.00 0.00 C ATOM 0 H ALA A 56 14.299 8.618 5.582 1.00 0.00 H new ATOM 0 HA ALA A 56 16.159 10.780 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.565 11.219 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.811 11.451 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.475 9.976 7.566 1.00 0.00 H new ATOM 777 N THR A 57 17.385 8.882 7.497 1.00 0.00 N ATOM 778 CA THR A 57 18.130 7.976 8.362 1.00 0.00 C ATOM 779 C THR A 57 17.964 8.356 9.829 1.00 0.00 C ATOM 780 O THR A 57 18.570 9.317 10.303 1.00 0.00 O ATOM 781 CB THR A 57 19.630 7.970 8.011 1.00 0.00 C ATOM 782 OG1 THR A 57 20.167 9.292 8.134 1.00 0.00 O ATOM 783 CG2 THR A 57 19.853 7.456 6.597 1.00 0.00 C ATOM 0 H THR A 57 17.954 9.362 6.800 1.00 0.00 H new ATOM 0 HA THR A 57 17.723 6.978 8.200 1.00 0.00 H new ATOM 0 HB THR A 57 20.141 7.305 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.773 9.734 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 57 20.920 7.461 6.372 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.470 6.439 6.515 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.330 8.099 5.889 1.00 0.00 H new ATOM 791 N ALA A 58 17.140 7.596 10.543 1.00 0.00 N ATOM 792 CA ALA A 58 16.897 7.852 11.957 1.00 0.00 C ATOM 793 C ALA A 58 17.721 6.916 12.834 1.00 0.00 C ATOM 794 O ALA A 58 17.964 5.759 12.491 1.00 0.00 O ATOM 795 CB ALA A 58 15.416 7.707 12.273 1.00 0.00 C ATOM 0 H ALA A 58 16.630 6.798 10.165 1.00 0.00 H new ATOM 0 HA ALA A 58 17.205 8.875 12.173 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.249 7.901 13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.846 8.421 11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.090 6.695 12.034 1.00 0.00 H new ATOM 801 N PRO A 59 18.164 7.426 13.993 1.00 0.00 N ATOM 802 CA PRO A 59 18.968 6.652 14.943 1.00 0.00 C ATOM 803 C PRO A 59 18.162 5.551 15.623 1.00 0.00 C ATOM 804 O PRO A 59 18.726 4.630 16.212 1.00 0.00 O ATOM 805 CB PRO A 59 19.413 7.699 15.967 1.00 0.00 C ATOM 806 CG PRO A 59 18.373 8.764 15.896 1.00 0.00 C ATOM 807 CD PRO A 59 17.912 8.798 14.465 1.00 0.00 C ATOM 0 HA PRO A 59 19.794 6.137 14.453 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.475 7.272 16.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.400 8.093 15.727 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.543 8.545 16.568 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.781 9.729 16.198 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.857 9.062 14.389 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.467 9.532 13.881 1.00 0.00 H new ATOM 815 N GLU A 60 16.839 5.653 15.536 1.00 0.00 N ATOM 816 CA GLU A 60 15.956 4.664 16.143 1.00 0.00 C ATOM 817 C GLU A 60 15.716 3.493 15.195 1.00 0.00 C ATOM 818 O GLU A 60 15.485 2.365 15.631 1.00 0.00 O ATOM 819 CB GLU A 60 14.621 5.307 16.526 1.00 0.00 C ATOM 820 CG GLU A 60 13.716 5.583 15.337 1.00 0.00 C ATOM 821 CD GLU A 60 12.249 5.624 15.718 1.00 0.00 C ATOM 822 OE1 GLU A 60 11.721 4.582 16.159 1.00 0.00 O ATOM 823 OE2 GLU A 60 11.629 6.699 15.575 1.00 0.00 O ATOM 0 H GLU A 60 16.356 6.410 15.052 1.00 0.00 H new ATOM 0 HA GLU A 60 16.441 4.286 17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.099 4.653 17.225 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.815 6.243 17.049 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.997 6.534 14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.870 4.813 14.581 1.00 0.00 H new ATOM 830 N ALA A 61 15.772 3.770 13.896 1.00 0.00 N ATOM 831 CA ALA A 61 15.562 2.740 12.886 1.00 0.00 C ATOM 832 C ALA A 61 16.825 2.513 12.063 1.00 0.00 C ATOM 833 O ALA A 61 17.299 3.418 11.376 1.00 0.00 O ATOM 834 CB ALA A 61 14.400 3.118 11.980 1.00 0.00 C ATOM 0 H ALA A 61 15.961 4.699 13.519 1.00 0.00 H new ATOM 0 HA ALA A 61 15.321 1.808 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.255 2.340 11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.493 3.222 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.618 4.063 11.484 1.00 0.00 H new ATOM 840 N GLN A 62 17.365 1.301 12.137 1.00 0.00 N ATOM 841 CA GLN A 62 18.575 0.958 11.399 1.00 0.00 C ATOM 842 C GLN A 62 18.484 -0.456 10.833 1.00 0.00 C ATOM 843 O GLN A 62 18.070 -1.386 11.524 1.00 0.00 O ATOM 844 CB GLN A 62 19.802 1.080 12.304 1.00 0.00 C ATOM 845 CG GLN A 62 20.227 2.516 12.562 1.00 0.00 C ATOM 846 CD GLN A 62 21.345 2.620 13.580 1.00 0.00 C ATOM 847 OE1 GLN A 62 21.551 1.714 14.388 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.076 3.729 13.547 1.00 0.00 N ATOM 0 H GLN A 62 16.984 0.541 12.700 1.00 0.00 H new ATOM 0 HA GLN A 62 18.675 1.657 10.569 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.590 0.596 13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.633 0.540 11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.551 2.969 11.625 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.368 3.088 12.912 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.871 4.455 12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.842 3.854 14.208 1.00 0.00 H new ATOM 857 N ARG A 63 18.875 -0.609 9.572 1.00 0.00 N ATOM 858 CA ARG A 63 18.836 -1.909 8.912 1.00 0.00 C ATOM 859 C ARG A 63 17.518 -2.623 9.196 1.00 0.00 C ATOM 860 O ARG A 63 17.495 -3.828 9.446 1.00 0.00 O ATOM 861 CB ARG A 63 20.008 -2.775 9.377 1.00 0.00 C ATOM 862 CG ARG A 63 20.481 -3.771 8.330 1.00 0.00 C ATOM 863 CD ARG A 63 19.758 -5.102 8.460 1.00 0.00 C ATOM 864 NE ARG A 63 20.492 -6.189 7.819 1.00 0.00 N ATOM 865 CZ ARG A 63 20.417 -6.460 6.521 1.00 0.00 C ATOM 866 NH1 ARG A 63 19.645 -5.728 5.730 1.00 0.00 N ATOM 867 NH2 ARG A 63 21.116 -7.467 6.011 1.00 0.00 N ATOM 0 H ARG A 63 19.222 0.151 8.987 1.00 0.00 H new ATOM 0 HA ARG A 63 18.917 -1.746 7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.840 -2.128 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.714 -3.317 10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 63 20.314 -3.361 7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.555 -3.927 8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.614 -5.335 9.515 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.767 -5.021 8.013 1.00 0.00 H new ATOM 0 HE ARG A 63 21.095 -6.772 8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.106 -4.954 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.590 -5.939 4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 63 21.711 -8.033 6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 63 21.058 -7.675 5.014 1.00 0.00 H new ATOM 881 N GLU A 64 16.422 -1.871 9.157 1.00 0.00 N ATOM 882 CA GLU A 64 15.101 -2.433 9.411 1.00 0.00 C ATOM 883 C GLU A 64 14.298 -2.543 8.118 1.00 0.00 C ATOM 884 O GLU A 64 14.610 -1.890 7.122 1.00 0.00 O ATOM 885 CB GLU A 64 14.342 -1.572 10.423 1.00 0.00 C ATOM 886 CG GLU A 64 13.362 -2.358 11.278 1.00 0.00 C ATOM 887 CD GLU A 64 13.941 -3.670 11.772 1.00 0.00 C ATOM 888 OE1 GLU A 64 14.733 -3.642 12.737 1.00 0.00 O ATOM 889 OE2 GLU A 64 13.602 -4.723 11.194 1.00 0.00 O ATOM 0 H GLU A 64 16.423 -0.872 8.952 1.00 0.00 H new ATOM 0 HA GLU A 64 15.234 -3.434 9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.060 -1.073 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.800 -0.791 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.064 -1.752 12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.460 -2.558 10.700 1.00 0.00 H new ATOM 896 N THR A 65 13.263 -3.377 8.141 1.00 0.00 N ATOM 897 CA THR A 65 12.416 -3.575 6.971 1.00 0.00 C ATOM 898 C THR A 65 10.973 -3.180 7.263 1.00 0.00 C ATOM 899 O THR A 65 10.524 -3.232 8.409 1.00 0.00 O ATOM 900 CB THR A 65 12.449 -5.040 6.496 1.00 0.00 C ATOM 901 OG1 THR A 65 12.074 -5.912 7.568 1.00 0.00 O ATOM 902 CG2 THR A 65 13.835 -5.415 5.992 1.00 0.00 C ATOM 0 H THR A 65 12.991 -3.926 8.957 1.00 0.00 H new ATOM 0 HA THR A 65 12.812 -2.935 6.182 1.00 0.00 H new ATOM 0 HB THR A 65 11.740 -5.148 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.096 -6.841 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.833 -6.454 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.105 -4.769 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.560 -5.291 6.796 1.00 0.00 H new ATOM 910 N VAL A 66 10.250 -2.785 6.220 1.00 0.00 N ATOM 911 CA VAL A 66 8.856 -2.383 6.365 1.00 0.00 C ATOM 912 C VAL A 66 8.056 -2.710 5.110 1.00 0.00 C ATOM 913 O VAL A 66 8.613 -2.826 4.018 1.00 0.00 O ATOM 914 CB VAL A 66 8.734 -0.876 6.660 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.528 -0.509 7.904 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.198 -0.060 5.462 1.00 0.00 C ATOM 0 H VAL A 66 10.606 -2.735 5.266 1.00 0.00 H new ATOM 0 HA VAL A 66 8.451 -2.945 7.207 1.00 0.00 H new ATOM 0 HB VAL A 66 7.685 -0.644 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.430 0.559 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.145 -1.068 8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.579 -0.755 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.105 1.002 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.240 -0.295 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.582 -0.302 4.596 1.00 0.00 H new ATOM 926 N PHE A 67 6.745 -2.858 5.272 1.00 0.00 N ATOM 927 CA PHE A 67 5.867 -3.173 4.151 1.00 0.00 C ATOM 928 C PHE A 67 5.279 -1.901 3.547 1.00 0.00 C ATOM 929 O PHE A 67 4.747 -1.050 4.260 1.00 0.00 O ATOM 930 CB PHE A 67 4.741 -4.104 4.604 1.00 0.00 C ATOM 931 CG PHE A 67 5.218 -5.469 5.009 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.575 -6.405 4.052 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.311 -5.816 6.348 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.014 -7.662 4.423 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.750 -7.071 6.724 1.00 0.00 C ATOM 936 CZ PHE A 67 6.103 -7.995 5.760 1.00 0.00 C ATOM 0 H PHE A 67 6.267 -2.765 6.169 1.00 0.00 H new ATOM 0 HA PHE A 67 6.460 -3.676 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.218 -3.647 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.017 -4.206 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.510 -6.150 3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.037 -5.097 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.287 -8.384 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.817 -7.329 7.771 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.448 -8.976 6.051 1.00 0.00 H new ATOM 946 N VAL A 68 5.379 -1.779 2.227 1.00 0.00 N ATOM 947 CA VAL A 68 4.856 -0.612 1.526 1.00 0.00 C ATOM 948 C VAL A 68 4.023 -1.024 0.318 1.00 0.00 C ATOM 949 O VAL A 68 3.963 -2.202 -0.036 1.00 0.00 O ATOM 950 CB VAL A 68 5.993 0.317 1.059 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.699 0.939 2.254 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.977 -0.443 0.184 1.00 0.00 C ATOM 0 H VAL A 68 5.817 -2.473 1.622 1.00 0.00 H new ATOM 0 HA VAL A 68 4.224 -0.075 2.233 1.00 0.00 H new ATOM 0 HB VAL A 68 5.560 1.121 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.499 1.592 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.984 1.520 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.120 0.151 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.773 0.229 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.406 -1.269 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.458 -0.835 -0.691 1.00 0.00 H new ATOM 962 N CYS A 69 3.381 -0.046 -0.313 1.00 0.00 N ATOM 963 CA CYS A 69 2.550 -0.306 -1.482 1.00 0.00 C ATOM 964 C CYS A 69 3.364 -0.178 -2.767 1.00 0.00 C ATOM 965 O CYS A 69 4.267 0.653 -2.861 1.00 0.00 O ATOM 966 CB CYS A 69 1.365 0.661 -1.517 1.00 0.00 C ATOM 967 SG CYS A 69 1.827 2.390 -1.859 1.00 0.00 S ATOM 0 H CYS A 69 3.421 0.934 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 69 2.175 -1.327 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.660 0.327 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.846 0.617 -0.560 1.00 0.00 H new ATOM 972 N ALA A 70 3.036 -1.006 -3.753 1.00 0.00 N ATOM 973 CA ALA A 70 3.734 -0.983 -5.033 1.00 0.00 C ATOM 974 C ALA A 70 4.063 0.445 -5.454 1.00 0.00 C ATOM 975 O ALA A 70 5.214 0.765 -5.750 1.00 0.00 O ATOM 976 CB ALA A 70 2.899 -1.672 -6.102 1.00 0.00 C ATOM 0 H ALA A 70 2.292 -1.701 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 70 4.673 -1.524 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.432 -1.647 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.720 -2.708 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.945 -1.155 -6.208 1.00 0.00 H new ATOM 982 N SER A 71 3.045 1.299 -5.480 1.00 0.00 N ATOM 983 CA SER A 71 3.225 2.692 -5.870 1.00 0.00 C ATOM 984 C SER A 71 4.458 3.289 -5.198 1.00 0.00 C ATOM 985 O SER A 71 5.204 4.054 -5.809 1.00 0.00 O ATOM 986 CB SER A 71 1.985 3.510 -5.506 1.00 0.00 C ATOM 987 OG SER A 71 1.007 3.437 -6.529 1.00 0.00 O ATOM 0 H SER A 71 2.087 1.050 -5.235 1.00 0.00 H new ATOM 0 HA SER A 71 3.369 2.726 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.565 3.142 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.267 4.550 -5.342 1.00 0.00 H new ATOM 0 HG SER A 71 0.224 3.967 -6.271 1.00 0.00 H new ATOM 993 N CYS A 72 4.665 2.934 -3.934 1.00 0.00 N ATOM 994 CA CYS A 72 5.806 3.433 -3.176 1.00 0.00 C ATOM 995 C CYS A 72 7.049 2.589 -3.445 1.00 0.00 C ATOM 996 O CYS A 72 8.049 3.087 -3.961 1.00 0.00 O ATOM 997 CB CYS A 72 5.490 3.432 -1.679 1.00 0.00 C ATOM 998 SG CYS A 72 4.230 4.652 -1.185 1.00 0.00 S ATOM 0 H CYS A 72 4.057 2.302 -3.413 1.00 0.00 H new ATOM 0 HA CYS A 72 6.005 4.455 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.150 2.437 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.408 3.628 -1.125 1.00 0.00 H new ATOM 1003 N ASN A 73 6.977 1.310 -3.092 1.00 0.00 N ATOM 1004 CA ASN A 73 8.096 0.397 -3.294 1.00 0.00 C ATOM 1005 C ASN A 73 8.814 0.700 -4.606 1.00 0.00 C ATOM 1006 O ASN A 73 10.041 0.638 -4.681 1.00 0.00 O ATOM 1007 CB ASN A 73 7.606 -1.052 -3.291 1.00 0.00 C ATOM 1008 CG ASN A 73 8.721 -2.040 -3.577 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.367 -2.546 -2.659 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.950 -2.319 -4.854 1.00 0.00 N ATOM 0 H ASN A 73 6.156 0.882 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 73 8.800 0.537 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.161 -1.280 -2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.820 -1.169 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.687 -2.977 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.389 -1.875 -5.581 1.00 0.00 H new ATOM 1017 N GLN A 74 8.041 1.027 -5.636 1.00 0.00 N ATOM 1018 CA GLN A 74 8.603 1.339 -6.945 1.00 0.00 C ATOM 1019 C GLN A 74 9.393 2.643 -6.901 1.00 0.00 C ATOM 1020 O GLN A 74 10.481 2.742 -7.470 1.00 0.00 O ATOM 1021 CB GLN A 74 7.492 1.438 -7.991 1.00 0.00 C ATOM 1022 CG GLN A 74 6.965 0.087 -8.448 1.00 0.00 C ATOM 1023 CD GLN A 74 7.952 -0.658 -9.325 1.00 0.00 C ATOM 1024 OE1 GLN A 74 9.153 -0.388 -9.295 1.00 0.00 O ATOM 1025 NE2 GLN A 74 7.449 -1.603 -10.111 1.00 0.00 N ATOM 0 H GLN A 74 7.024 1.083 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 74 9.282 0.532 -7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.667 2.020 -7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.867 1.984 -8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.730 -0.521 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.034 0.231 -8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.447 -1.793 -10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.065 -2.139 -10.723 1.00 0.00 H new ATOM 1034 N THR A 75 8.839 3.642 -6.221 1.00 0.00 N ATOM 1035 CA THR A 75 9.491 4.941 -6.104 1.00 0.00 C ATOM 1036 C THR A 75 10.721 4.860 -5.208 1.00 0.00 C ATOM 1037 O THR A 75 11.776 5.407 -5.532 1.00 0.00 O ATOM 1038 CB THR A 75 8.529 6.004 -5.542 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.363 6.095 -6.368 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.209 7.362 -5.463 1.00 0.00 C ATOM 0 H THR A 75 7.940 3.577 -5.743 1.00 0.00 H new ATOM 0 HA THR A 75 9.796 5.233 -7.109 1.00 0.00 H new ATOM 0 HB THR A 75 8.238 5.703 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.733 5.385 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.510 8.096 -5.063 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.079 7.296 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.526 7.668 -6.460 1.00 0.00 H new ATOM 1048 N LEU A 76 10.580 4.174 -4.079 1.00 0.00 N ATOM 1049 CA LEU A 76 11.681 4.020 -3.134 1.00 0.00 C ATOM 1050 C LEU A 76 12.857 3.295 -3.782 1.00 0.00 C ATOM 1051 O LEU A 76 13.959 3.835 -3.872 1.00 0.00 O ATOM 1052 CB LEU A 76 11.214 3.254 -1.896 1.00 0.00 C ATOM 1053 CG LEU A 76 9.998 3.830 -1.169 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.489 2.852 -0.122 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.344 5.167 -0.530 1.00 0.00 C ATOM 0 H LEU A 76 9.714 3.715 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 76 12.012 5.014 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.984 2.230 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.043 3.203 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 76 9.205 3.993 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.624 3.279 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.202 1.918 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.276 2.656 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.467 5.563 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.153 5.029 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.660 5.868 -1.302 1.00 0.00 H new ATOM 1067 N SER A 77 12.613 2.068 -4.233 1.00 0.00 N ATOM 1068 CA SER A 77 13.651 1.268 -4.871 1.00 0.00 C ATOM 1069 C SER A 77 14.588 2.148 -5.692 1.00 0.00 C ATOM 1070 O SER A 77 15.809 1.992 -5.643 1.00 0.00 O ATOM 1071 CB SER A 77 13.023 0.199 -5.766 1.00 0.00 C ATOM 1072 OG SER A 77 14.017 -0.533 -6.462 1.00 0.00 O ATOM 0 H SER A 77 11.705 1.607 -4.168 1.00 0.00 H new ATOM 0 HA SER A 77 14.232 0.781 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.424 -0.481 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.347 0.669 -6.480 1.00 0.00 H new ATOM 0 HG SER A 77 13.589 -1.211 -7.026 1.00 0.00 H new ATOM 1078 N LYS A 78 14.009 3.076 -6.446 1.00 0.00 N ATOM 1079 CA LYS A 78 14.789 3.984 -7.278 1.00 0.00 C ATOM 1080 C LYS A 78 16.039 4.457 -6.542 1.00 0.00 C ATOM 1081 O LYS A 78 16.036 4.596 -5.319 1.00 0.00 O ATOM 1082 CB LYS A 78 13.940 5.189 -7.689 1.00 0.00 C ATOM 1083 CG LYS A 78 12.699 4.816 -8.481 1.00 0.00 C ATOM 1084 CD LYS A 78 13.040 4.466 -9.920 1.00 0.00 C ATOM 1085 CE LYS A 78 12.968 5.688 -10.823 1.00 0.00 C ATOM 1086 NZ LYS A 78 14.271 6.406 -10.889 1.00 0.00 N ATOM 0 H LYS A 78 13.000 3.219 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 78 15.098 3.443 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.640 5.734 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.551 5.867 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.205 3.968 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.993 5.646 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.042 4.038 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.351 3.703 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.671 5.381 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.198 6.366 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.366 6.869 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.310 7.124 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.048 5.727 -10.760 1.00 0.00 H new ATOM 1100 N SER A 79 17.106 4.704 -7.296 1.00 0.00 N ATOM 1101 CA SER A 79 18.363 5.159 -6.715 1.00 0.00 C ATOM 1102 C SER A 79 18.766 6.515 -7.286 1.00 0.00 C ATOM 1103 O SER A 79 18.167 7.001 -8.245 1.00 0.00 O ATOM 1104 CB SER A 79 19.470 4.135 -6.974 1.00 0.00 C ATOM 1105 OG SER A 79 19.313 2.995 -6.147 1.00 0.00 O ATOM 0 H SER A 79 17.124 4.597 -8.310 1.00 0.00 H new ATOM 0 HA SER A 79 18.220 5.265 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.453 3.834 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.442 4.591 -6.789 1.00 0.00 H new ATOM 0 HG SER A 79 20.031 2.355 -6.333 1.00 0.00 H new ATOM 1111 N GLY A 80 19.788 7.122 -6.689 1.00 0.00 N ATOM 1112 CA GLY A 80 20.254 8.417 -7.151 1.00 0.00 C ATOM 1113 C GLY A 80 21.055 9.155 -6.097 1.00 0.00 C ATOM 1114 O GLY A 80 21.295 8.647 -5.001 1.00 0.00 O ATOM 0 H GLY A 80 20.301 6.740 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.868 8.282 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.398 9.025 -7.444 1.00 0.00 H new ATOM 1118 N PRO A 81 21.483 10.383 -6.425 1.00 0.00 N ATOM 1119 CA PRO A 81 22.269 11.217 -5.511 1.00 0.00 C ATOM 1120 C PRO A 81 21.446 11.715 -4.328 1.00 0.00 C ATOM 1121 O PRO A 81 21.896 12.565 -3.560 1.00 0.00 O ATOM 1122 CB PRO A 81 22.705 12.392 -6.391 1.00 0.00 C ATOM 1123 CG PRO A 81 21.673 12.467 -7.462 1.00 0.00 C ATOM 1124 CD PRO A 81 21.233 11.051 -7.713 1.00 0.00 C ATOM 0 HA PRO A 81 23.099 10.666 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 81 22.750 13.319 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 81 23.698 12.226 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.832 13.088 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 81 22.082 12.915 -8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.181 11.001 -7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.801 10.591 -8.521 1.00 0.00 H new ATOM 1132 N SER A 82 20.238 11.178 -4.186 1.00 0.00 N ATOM 1133 CA SER A 82 19.351 11.570 -3.097 1.00 0.00 C ATOM 1134 C SER A 82 19.854 11.026 -1.763 1.00 0.00 C ATOM 1135 O SER A 82 19.223 10.161 -1.155 1.00 0.00 O ATOM 1136 CB SER A 82 17.930 11.067 -3.362 1.00 0.00 C ATOM 1137 OG SER A 82 17.862 9.655 -3.263 1.00 0.00 O ATOM 0 H SER A 82 19.852 10.471 -4.811 1.00 0.00 H new ATOM 0 HA SER A 82 19.340 12.659 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.242 11.518 -2.647 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.609 11.381 -4.355 1.00 0.00 H new ATOM 0 HG SER A 82 18.338 9.360 -2.459 1.00 0.00 H new ATOM 1143 N SER A 83 20.995 11.539 -1.315 1.00 0.00 N ATOM 1144 CA SER A 83 21.587 11.103 -0.055 1.00 0.00 C ATOM 1145 C SER A 83 22.382 12.233 0.591 1.00 0.00 C ATOM 1146 O SER A 83 23.098 12.970 -0.086 1.00 0.00 O ATOM 1147 CB SER A 83 22.494 9.893 -0.285 1.00 0.00 C ATOM 1148 OG SER A 83 21.736 8.746 -0.629 1.00 0.00 O ATOM 0 H SER A 83 21.528 12.257 -1.805 1.00 0.00 H new ATOM 0 HA SER A 83 20.779 10.819 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.206 10.114 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.074 9.693 0.616 1.00 0.00 H new ATOM 0 HG SER A 83 20.790 8.991 -0.708 1.00 0.00 H new ATOM 1154 N GLY A 84 22.251 12.363 1.908 1.00 0.00 N ATOM 1155 CA GLY A 84 22.962 13.405 2.625 1.00 0.00 C ATOM 1156 C GLY A 84 22.570 13.473 4.088 1.00 0.00 C ATOM 1157 O GLY A 84 23.263 12.893 4.922 1.00 0.00 O ATOM 0 H GLY A 84 21.665 11.765 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 84 24.035 13.228 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.763 14.367 2.153 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.405 -3.105 -4.590 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.529 3.604 -0.011 1.00 0.00 ZN