USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot -74:sc= -2.04! USER MOD Set 1.2: A 69 LYS NZ :NH3+ -144:sc= -9.51! (180deg=-12.4!) USER MOD Set 2.1: A 58 GLN : amide:sc= -1.25 K(o=1.2,f=-1) USER MOD Set 2.2: A 71 TYR OH : rot 144:sc= 0.908 USER MOD Set 2.3: A 73 TYR OH : rot 83:sc= 1.59 USER MOD Set 3.1: A 3 THR OG1 : rot -15:sc= -1.96! USER MOD Set 3.2: A 5 ASN : amide:sc= -0.55 X(o=-2.5,f=-2.8) USER MOD Single : A 1 CYS N :NH3+ -149:sc= -1.31! (180deg=-2.09!) USER MOD Single : A 2 LYS NZ :NH3+ -124:sc= 1.13 (180deg=-0.321) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.64) USER MOD Single : A 9 TYR OH : rot 90:sc= -0.518 USER MOD Single : A 12 THR OG1 : rot -122:sc= 0.668 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -1.27! USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.755) USER MOD Single : A 16 THR OG1 : rot -130:sc= -4.62! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 23 GLN : amide:sc= -16.9! C(o=-17!,f=-17!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 49:sc= 0.435 USER MOD Single : A 28 THR OG1 : rot 23:sc= 1.12 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00338 USER MOD Single : A 31 HIS : no HD1:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 36 SER OG : rot -67:sc= 1.05 USER MOD Single : A 39 THR OG1 : rot -54:sc= 1.09 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -5.87! C(o=-8.1!,f=-5.9!) USER MOD Single : A 42 SER OG : rot 46:sc= -0.33! USER MOD Single : A 48 ASN :FLIP amide:sc= -4.23! C(o=-9.5!,f=-4.2!) USER MOD Single : A 49 TYR OH : rot 165:sc= -1.05 USER MOD Single : A 52 ASN : amide:sc= 0.595! K(o=0.6!,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= 0.418 K(o=0.42,f=-0.36) USER MOD Single : A 63 TYR OH : rot 30:sc= 0.929 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0251 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 12.100 6.010 -2.645 1.00 0.00 N ATOM 2 CA CYS A 1 10.652 6.001 -2.256 1.00 0.00 C ATOM 3 C CYS A 1 10.016 4.652 -2.557 1.00 0.00 C ATOM 4 O CYS A 1 9.141 4.200 -1.857 1.00 0.00 O ATOM 5 CB CYS A 1 9.879 7.096 -3.027 1.00 0.00 C ATOM 6 SG CYS A 1 9.233 8.487 -2.066 1.00 0.00 S ATOM 0 H1 CYS A 1 12.626 6.646 -2.012 1.00 0.00 H new ATOM 0 H2 CYS A 1 12.486 5.047 -2.568 1.00 0.00 H new ATOM 0 H3 CYS A 1 12.194 6.343 -3.626 1.00 0.00 H new ATOM 0 HA CYS A 1 10.598 6.194 -1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 1 10.538 7.495 -3.798 1.00 0.00 H new ATOM 0 HB3 CYS A 1 9.042 6.621 -3.539 1.00 0.00 H new ATOM 13 N LYS A 2 10.467 4.046 -3.585 1.00 0.00 N ATOM 14 CA LYS A 2 9.909 2.717 -3.966 1.00 0.00 C ATOM 15 C LYS A 2 11.024 1.806 -4.419 1.00 0.00 C ATOM 16 O LYS A 2 12.027 2.264 -4.936 1.00 0.00 O ATOM 17 CB LYS A 2 8.903 2.878 -5.131 1.00 0.00 C ATOM 18 CG LYS A 2 8.195 4.240 -5.046 1.00 0.00 C ATOM 19 CD LYS A 2 6.766 4.097 -5.592 1.00 0.00 C ATOM 20 CE LYS A 2 5.817 3.748 -4.438 1.00 0.00 C ATOM 21 NZ LYS A 2 4.492 4.414 -4.623 1.00 0.00 N ATOM 0 H LYS A 2 11.204 4.400 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 2 9.405 2.291 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.424 2.791 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.166 2.076 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.170 4.587 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.744 4.986 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.452 5.025 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.732 3.319 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.682 2.668 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.258 4.061 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.272 4.989 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.525 5.026 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.755 3.691 -4.750 1.00 0.00 H new ATOM 35 N THR A 3 10.848 0.539 -4.224 1.00 0.00 N ATOM 36 CA THR A 3 11.907 -0.405 -4.647 1.00 0.00 C ATOM 37 C THR A 3 12.040 -0.422 -6.174 1.00 0.00 C ATOM 38 O THR A 3 11.230 -0.987 -6.871 1.00 0.00 O ATOM 39 CB THR A 3 11.541 -1.808 -4.126 1.00 0.00 C ATOM 40 OG1 THR A 3 10.612 -2.339 -5.040 1.00 0.00 O ATOM 41 CG2 THR A 3 10.755 -1.719 -2.807 1.00 0.00 C ATOM 0 H THR A 3 10.025 0.117 -3.794 1.00 0.00 H new ATOM 0 HA THR A 3 12.866 -0.091 -4.235 1.00 0.00 H new ATOM 0 HB THR A 3 12.456 -2.387 -3.999 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.264 -1.620 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.509 -2.723 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.362 -1.215 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.836 -1.156 -2.968 1.00 0.00 H new ATOM 49 N GLY A 4 13.054 0.235 -6.667 1.00 0.00 N ATOM 50 CA GLY A 4 13.271 0.278 -8.148 1.00 0.00 C ATOM 51 C GLY A 4 12.123 1.002 -8.872 1.00 0.00 C ATOM 52 O GLY A 4 12.261 1.398 -10.008 1.00 0.00 O ATOM 0 H GLY A 4 13.742 0.744 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.213 0.783 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.360 -0.738 -8.532 1.00 0.00 H new ATOM 56 N ASN A 5 11.025 1.160 -8.195 1.00 0.00 N ATOM 57 CA ASN A 5 9.862 1.849 -8.815 1.00 0.00 C ATOM 58 C ASN A 5 9.849 3.333 -8.438 1.00 0.00 C ATOM 59 O ASN A 5 8.909 4.043 -8.727 1.00 0.00 O ATOM 60 CB ASN A 5 8.576 1.170 -8.290 1.00 0.00 C ATOM 61 CG ASN A 5 8.775 -0.345 -8.265 1.00 0.00 C ATOM 62 OD1 ASN A 5 9.266 -0.933 -9.201 1.00 0.00 O ATOM 63 ND2 ASN A 5 8.401 -1.012 -7.221 1.00 0.00 N ATOM 0 H ASN A 5 10.881 0.842 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 5 9.925 1.777 -9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.342 1.534 -7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.730 1.426 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.521 -2.024 -7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.986 -0.525 -6.427 1.00 0.00 H new ATOM 70 N GLY A 6 10.903 3.769 -7.787 1.00 0.00 N ATOM 71 CA GLY A 6 10.977 5.211 -7.378 1.00 0.00 C ATOM 72 C GLY A 6 12.372 5.796 -7.644 1.00 0.00 C ATOM 73 O GLY A 6 12.647 6.916 -7.273 1.00 0.00 O ATOM 0 H GLY A 6 11.706 3.198 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.229 5.785 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.738 5.303 -6.319 1.00 0.00 H new ATOM 77 N LYS A 7 13.221 5.019 -8.280 1.00 0.00 N ATOM 78 CA LYS A 7 14.609 5.513 -8.581 1.00 0.00 C ATOM 79 C LYS A 7 15.256 6.181 -7.358 1.00 0.00 C ATOM 80 O LYS A 7 16.117 7.025 -7.494 1.00 0.00 O ATOM 81 CB LYS A 7 14.509 6.555 -9.711 1.00 0.00 C ATOM 82 CG LYS A 7 13.983 5.884 -10.984 1.00 0.00 C ATOM 83 CD LYS A 7 13.340 6.952 -11.876 1.00 0.00 C ATOM 84 CE LYS A 7 13.356 6.478 -13.327 1.00 0.00 C ATOM 85 NZ LYS A 7 12.549 7.403 -14.178 1.00 0.00 N ATOM 0 H LYS A 7 13.017 4.073 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 7 15.226 4.661 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.844 7.366 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.487 6.998 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.797 5.390 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.254 5.114 -10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.316 7.141 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.882 7.893 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.382 6.437 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.953 5.467 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.566 7.072 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.567 7.422 -13.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.951 8.361 -14.128 1.00 0.00 H new ATOM 99 N ASN A 8 14.834 5.780 -6.186 1.00 0.00 N ATOM 100 CA ASN A 8 15.414 6.384 -4.951 1.00 0.00 C ATOM 101 C ASN A 8 15.321 5.421 -3.765 1.00 0.00 C ATOM 102 O ASN A 8 14.234 5.001 -3.380 1.00 0.00 O ATOM 103 CB ASN A 8 14.609 7.654 -4.616 1.00 0.00 C ATOM 104 CG ASN A 8 15.118 8.824 -5.452 1.00 0.00 C ATOM 105 OD1 ASN A 8 14.369 9.491 -6.124 1.00 0.00 O ATOM 106 ND2 ASN A 8 16.381 9.111 -5.432 1.00 0.00 N ATOM 0 H ASN A 8 14.120 5.068 -6.032 1.00 0.00 H new ATOM 0 HA ASN A 8 16.465 6.611 -5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.550 7.487 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.702 7.885 -3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.735 9.895 -5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.022 8.553 -4.867 1.00 0.00 H new ATOM 113 N TYR A 9 16.460 5.093 -3.201 1.00 0.00 N ATOM 114 CA TYR A 9 16.468 4.157 -2.035 1.00 0.00 C ATOM 115 C TYR A 9 17.769 4.289 -1.231 1.00 0.00 C ATOM 116 O TYR A 9 18.657 5.034 -1.600 1.00 0.00 O ATOM 117 CB TYR A 9 16.356 2.705 -2.554 1.00 0.00 C ATOM 118 CG TYR A 9 16.323 2.689 -4.080 1.00 0.00 C ATOM 119 CD1 TYR A 9 17.493 2.716 -4.807 1.00 0.00 C ATOM 120 CD2 TYR A 9 15.119 2.650 -4.750 1.00 0.00 C ATOM 121 CE1 TYR A 9 17.457 2.705 -6.182 1.00 0.00 C ATOM 122 CE2 TYR A 9 15.086 2.638 -6.123 1.00 0.00 C ATOM 123 CZ TYR A 9 16.251 2.664 -6.848 1.00 0.00 C ATOM 124 OH TYR A 9 16.213 2.653 -8.222 1.00 0.00 O ATOM 0 H TYR A 9 17.376 5.431 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 9 15.627 4.405 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 9 17.201 2.117 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 9 15.453 2.239 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 9 18.443 2.746 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 9 14.195 2.629 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 9 18.379 2.729 -6.743 1.00 0.00 H new ATOM 0 HE2 TYR A 9 14.136 2.608 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 9 16.233 1.727 -8.542 1.00 0.00 H new ATOM 134 N ARG A 10 17.846 3.555 -0.139 1.00 0.00 N ATOM 135 CA ARG A 10 19.072 3.611 0.716 1.00 0.00 C ATOM 136 C ARG A 10 19.231 2.315 1.532 1.00 0.00 C ATOM 137 O ARG A 10 20.174 1.572 1.338 1.00 0.00 O ATOM 138 CB ARG A 10 18.943 4.809 1.681 1.00 0.00 C ATOM 139 CG ARG A 10 20.340 5.383 1.973 1.00 0.00 C ATOM 140 CD ARG A 10 20.204 6.844 2.417 1.00 0.00 C ATOM 141 NE ARG A 10 21.220 7.120 3.483 1.00 0.00 N ATOM 142 CZ ARG A 10 22.094 8.048 3.307 1.00 0.00 C ATOM 143 NH1 ARG A 10 21.793 9.252 3.627 1.00 0.00 N ATOM 144 NH2 ARG A 10 23.236 7.734 2.818 1.00 0.00 N ATOM 0 H ARG A 10 17.115 2.925 0.191 1.00 0.00 H new ATOM 0 HA ARG A 10 19.948 3.724 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.307 5.577 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.466 4.493 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.831 4.798 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.966 5.318 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 10 20.355 7.512 1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.199 7.032 2.795 1.00 0.00 H new ATOM 0 HE ARG A 10 21.219 6.574 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.873 9.462 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.473 10.000 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 10 23.438 6.764 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.943 8.454 2.670 1.00 0.00 H new ATOM 158 N GLY A 11 18.294 2.061 2.421 1.00 0.00 N ATOM 159 CA GLY A 11 18.378 0.811 3.259 1.00 0.00 C ATOM 160 C GLY A 11 18.650 -0.416 2.382 1.00 0.00 C ATOM 161 O GLY A 11 19.222 -1.392 2.838 1.00 0.00 O ATOM 0 H GLY A 11 17.485 2.655 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.171 0.917 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.446 0.672 3.807 1.00 0.00 H new ATOM 165 N THR A 12 18.225 -0.340 1.136 1.00 0.00 N ATOM 166 CA THR A 12 18.442 -1.489 0.189 1.00 0.00 C ATOM 167 C THR A 12 19.872 -1.979 0.235 1.00 0.00 C ATOM 168 O THR A 12 20.158 -3.064 -0.221 1.00 0.00 O ATOM 169 CB THR A 12 18.152 -1.016 -1.236 1.00 0.00 C ATOM 170 OG1 THR A 12 18.142 -2.188 -2.018 1.00 0.00 O ATOM 171 CG2 THR A 12 19.315 -0.187 -1.799 1.00 0.00 C ATOM 0 H THR A 12 17.740 0.464 0.737 1.00 0.00 H new ATOM 0 HA THR A 12 17.778 -2.302 0.484 1.00 0.00 H new ATOM 0 HB THR A 12 17.234 -0.429 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.817 -2.116 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.076 0.133 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.475 0.689 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.220 -0.794 -1.814 1.00 0.00 H new ATOM 179 N MET A 13 20.752 -1.158 0.769 1.00 0.00 N ATOM 180 CA MET A 13 22.182 -1.560 0.858 1.00 0.00 C ATOM 181 C MET A 13 22.287 -3.034 1.167 1.00 0.00 C ATOM 182 O MET A 13 23.013 -3.770 0.527 1.00 0.00 O ATOM 183 CB MET A 13 22.838 -0.760 1.998 1.00 0.00 C ATOM 184 CG MET A 13 23.275 0.610 1.467 1.00 0.00 C ATOM 185 SD MET A 13 23.909 1.803 2.673 1.00 0.00 S ATOM 186 CE MET A 13 25.061 2.658 1.567 1.00 0.00 C ATOM 0 H MET A 13 20.536 -0.234 1.143 1.00 0.00 H new ATOM 0 HA MET A 13 22.680 -1.360 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 13 22.136 -0.636 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.698 -1.302 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 13 24.046 0.450 0.713 1.00 0.00 H new ATOM 0 HG3 MET A 13 22.423 1.063 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 13 25.571 3.450 2.115 1.00 0.00 H new ATOM 0 HE2 MET A 13 25.796 1.948 1.187 1.00 0.00 H new ATOM 0 HE3 MET A 13 24.510 3.091 0.732 1.00 0.00 H new ATOM 196 N SER A 14 21.536 -3.414 2.141 1.00 0.00 N ATOM 197 CA SER A 14 21.505 -4.836 2.592 1.00 0.00 C ATOM 198 C SER A 14 20.926 -4.925 3.989 1.00 0.00 C ATOM 199 O SER A 14 21.420 -5.642 4.829 1.00 0.00 O ATOM 200 CB SER A 14 22.933 -5.429 2.602 1.00 0.00 C ATOM 201 OG SER A 14 23.792 -4.328 2.868 1.00 0.00 O ATOM 0 H SER A 14 20.922 -2.791 2.665 1.00 0.00 H new ATOM 0 HA SER A 14 20.883 -5.401 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.034 -6.200 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.173 -5.894 1.646 1.00 0.00 H new ATOM 0 HG SER A 14 24.722 -4.636 2.890 1.00 0.00 H new ATOM 207 N LYS A 15 19.881 -4.185 4.214 1.00 0.00 N ATOM 208 CA LYS A 15 19.243 -4.205 5.551 1.00 0.00 C ATOM 209 C LYS A 15 17.889 -4.891 5.476 1.00 0.00 C ATOM 210 O LYS A 15 17.491 -5.370 4.442 1.00 0.00 O ATOM 211 CB LYS A 15 19.017 -2.748 6.000 1.00 0.00 C ATOM 212 CG LYS A 15 20.211 -2.281 6.820 1.00 0.00 C ATOM 213 CD LYS A 15 21.442 -2.219 5.908 1.00 0.00 C ATOM 214 CE LYS A 15 22.434 -1.210 6.470 1.00 0.00 C ATOM 215 NZ LYS A 15 22.535 -1.361 7.948 1.00 0.00 N ATOM 0 H LYS A 15 19.443 -3.568 3.530 1.00 0.00 H new ATOM 0 HA LYS A 15 19.885 -4.742 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.885 -2.104 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.105 -2.676 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.012 -1.300 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.390 -2.965 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.907 -3.203 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.147 -1.933 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.413 -1.358 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.116 -0.198 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.460 -1.011 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.778 -0.813 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.438 -2.365 8.202 1.00 0.00 H new ATOM 229 N THR A 16 17.212 -4.953 6.574 1.00 0.00 N ATOM 230 CA THR A 16 15.893 -5.600 6.561 1.00 0.00 C ATOM 231 C THR A 16 14.929 -4.900 7.525 1.00 0.00 C ATOM 232 O THR A 16 15.204 -4.738 8.710 1.00 0.00 O ATOM 233 CB THR A 16 16.053 -7.083 6.914 1.00 0.00 C ATOM 234 OG1 THR A 16 17.425 -7.291 7.113 1.00 0.00 O ATOM 235 CG2 THR A 16 15.761 -7.942 5.701 1.00 0.00 C ATOM 0 H THR A 16 17.515 -4.585 7.476 1.00 0.00 H new ATOM 0 HA THR A 16 15.464 -5.519 5.562 1.00 0.00 H new ATOM 0 HB THR A 16 15.406 -7.322 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.717 -8.068 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.878 -8.994 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.739 -7.763 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.455 -7.689 4.900 1.00 0.00 H new ATOM 243 N LYS A 17 13.826 -4.485 6.938 1.00 0.00 N ATOM 244 CA LYS A 17 12.719 -3.767 7.666 1.00 0.00 C ATOM 245 C LYS A 17 13.230 -2.499 8.314 1.00 0.00 C ATOM 246 O LYS A 17 12.881 -1.409 7.904 1.00 0.00 O ATOM 247 CB LYS A 17 12.097 -4.705 8.711 1.00 0.00 C ATOM 248 CG LYS A 17 11.231 -3.905 9.707 1.00 0.00 C ATOM 249 CD LYS A 17 9.780 -3.880 9.203 1.00 0.00 C ATOM 250 CE LYS A 17 9.050 -2.673 9.799 1.00 0.00 C ATOM 251 NZ LYS A 17 9.360 -1.439 9.011 1.00 0.00 N ATOM 0 H LYS A 17 13.640 -4.620 5.944 1.00 0.00 H new ATOM 0 HA LYS A 17 11.952 -3.481 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.487 -5.460 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.884 -5.234 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.278 -4.360 10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.613 -2.889 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.763 -3.827 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.271 -4.801 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.975 -2.853 9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.350 -2.534 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.859 -0.627 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.384 -1.261 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.052 -1.570 8.026 1.00 0.00 H new ATOM 265 N ASN A 18 14.025 -2.655 9.309 1.00 0.00 N ATOM 266 CA ASN A 18 14.564 -1.465 9.988 1.00 0.00 C ATOM 267 C ASN A 18 16.043 -1.337 9.757 1.00 0.00 C ATOM 268 O ASN A 18 16.542 -0.304 9.383 1.00 0.00 O ATOM 269 CB ASN A 18 14.420 -1.636 11.465 1.00 0.00 C ATOM 270 CG ASN A 18 13.169 -0.915 11.955 1.00 0.00 C ATOM 271 OD1 ASN A 18 13.098 0.287 11.960 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.161 -1.617 12.377 1.00 0.00 N ATOM 0 H ASN A 18 14.328 -3.553 9.686 1.00 0.00 H new ATOM 0 HA ASN A 18 14.025 -0.600 9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.359 -2.696 11.712 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.300 -1.240 11.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.317 -1.150 12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.213 -2.636 12.376 1.00 0.00 H new ATOM 279 N GLY A 19 16.723 -2.400 10.012 1.00 0.00 N ATOM 280 CA GLY A 19 18.162 -2.381 9.827 1.00 0.00 C ATOM 281 C GLY A 19 18.775 -3.778 9.945 1.00 0.00 C ATOM 282 O GLY A 19 19.976 -3.911 10.057 1.00 0.00 O ATOM 0 H GLY A 19 16.333 -3.283 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.396 -1.964 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.614 -1.723 10.569 1.00 0.00 H new ATOM 286 N ILE A 20 17.951 -4.795 9.916 1.00 0.00 N ATOM 287 CA ILE A 20 18.501 -6.168 10.026 1.00 0.00 C ATOM 288 C ILE A 20 19.485 -6.409 8.887 1.00 0.00 C ATOM 289 O ILE A 20 19.251 -6.000 7.776 1.00 0.00 O ATOM 290 CB ILE A 20 17.336 -7.151 9.923 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.564 -7.188 11.230 1.00 0.00 C ATOM 292 CG2 ILE A 20 17.864 -8.574 9.639 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.409 -8.184 11.091 1.00 0.00 C ATOM 0 H ILE A 20 16.937 -4.731 9.822 1.00 0.00 H new ATOM 0 HA ILE A 20 19.022 -6.301 10.974 1.00 0.00 H new ATOM 0 HB ILE A 20 16.687 -6.821 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.221 -7.483 12.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.181 -6.196 11.471 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.025 -9.266 9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.417 -8.576 8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.523 -8.886 10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.846 -8.220 12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.751 -7.867 10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.807 -9.174 10.869 1.00 0.00 H new ATOM 305 N THR A 21 20.588 -7.022 9.187 1.00 0.00 N ATOM 306 CA THR A 21 21.574 -7.284 8.135 1.00 0.00 C ATOM 307 C THR A 21 21.111 -8.377 7.181 1.00 0.00 C ATOM 308 O THR A 21 20.767 -9.465 7.605 1.00 0.00 O ATOM 309 CB THR A 21 22.873 -7.742 8.796 1.00 0.00 C ATOM 310 OG1 THR A 21 22.965 -7.001 9.995 1.00 0.00 O ATOM 311 CG2 THR A 21 24.077 -7.288 7.978 1.00 0.00 C ATOM 0 H THR A 21 20.842 -7.350 10.119 1.00 0.00 H new ATOM 0 HA THR A 21 21.712 -6.367 7.562 1.00 0.00 H new ATOM 0 HB THR A 21 22.869 -8.826 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 21 23.784 -7.251 10.472 1.00 0.00 H new ATOM 0 HG21 THR A 21 24.994 -7.623 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.019 -7.716 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.080 -6.200 7.908 1.00 0.00 H new ATOM 319 N CYS A 22 21.093 -8.055 5.911 1.00 0.00 N ATOM 320 CA CYS A 22 20.658 -9.059 4.887 1.00 0.00 C ATOM 321 C CYS A 22 21.692 -10.209 4.797 1.00 0.00 C ATOM 322 O CYS A 22 21.984 -10.843 5.790 1.00 0.00 O ATOM 323 CB CYS A 22 20.522 -8.341 3.521 1.00 0.00 C ATOM 324 SG CYS A 22 19.149 -8.819 2.454 1.00 0.00 S ATOM 0 H CYS A 22 21.360 -7.144 5.539 1.00 0.00 H new ATOM 0 HA CYS A 22 19.698 -9.491 5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.441 -7.271 3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 22 21.447 -8.497 2.967 1.00 0.00 H new ATOM 329 N GLN A 23 22.229 -10.468 3.627 1.00 0.00 N ATOM 330 CA GLN A 23 23.233 -11.580 3.517 1.00 0.00 C ATOM 331 C GLN A 23 24.171 -11.436 2.294 1.00 0.00 C ATOM 332 O GLN A 23 24.990 -10.547 2.248 1.00 0.00 O ATOM 333 CB GLN A 23 22.436 -12.864 3.376 1.00 0.00 C ATOM 334 CG GLN A 23 21.296 -12.637 2.355 1.00 0.00 C ATOM 335 CD GLN A 23 20.276 -13.775 2.499 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.242 -13.775 1.881 1.00 0.00 O ATOM 337 NE2 GLN A 23 20.547 -14.778 3.296 1.00 0.00 N ATOM 0 H GLN A 23 22.023 -9.971 2.760 1.00 0.00 H new ATOM 0 HA GLN A 23 23.873 -11.566 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 23 23.084 -13.675 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 23 22.024 -13.160 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.816 -11.674 2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.695 -12.613 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 23 21.420 -14.788 3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.886 -15.549 3.389 1.00 0.00 H new ATOM 346 N LYS A 24 24.056 -12.379 1.357 1.00 0.00 N ATOM 347 CA LYS A 24 24.902 -12.362 0.114 1.00 0.00 C ATOM 348 C LYS A 24 24.251 -13.249 -0.952 1.00 0.00 C ATOM 349 O LYS A 24 24.878 -13.694 -1.896 1.00 0.00 O ATOM 350 CB LYS A 24 26.274 -12.935 0.439 1.00 0.00 C ATOM 351 CG LYS A 24 26.210 -13.690 1.762 1.00 0.00 C ATOM 352 CD LYS A 24 27.543 -14.419 1.986 1.00 0.00 C ATOM 353 CE LYS A 24 28.565 -13.438 2.571 1.00 0.00 C ATOM 354 NZ LYS A 24 28.432 -13.382 4.060 1.00 0.00 N ATOM 0 H LYS A 24 23.403 -13.161 1.412 1.00 0.00 H new ATOM 0 HA LYS A 24 24.993 -11.339 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.599 -13.604 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 24 27.009 -12.133 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.017 -12.998 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.387 -14.405 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.401 -15.261 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.911 -14.826 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.574 -13.748 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.412 -12.446 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.129 -12.714 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.474 -13.066 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.600 -14.327 4.459 1.00 0.00 H new ATOM 368 N TRP A 25 23.002 -13.488 -0.733 1.00 0.00 N ATOM 369 CA TRP A 25 22.194 -14.340 -1.666 1.00 0.00 C ATOM 370 C TRP A 25 22.879 -15.686 -1.848 1.00 0.00 C ATOM 371 O TRP A 25 22.598 -16.417 -2.771 1.00 0.00 O ATOM 372 CB TRP A 25 22.062 -13.663 -3.060 1.00 0.00 C ATOM 373 CG TRP A 25 21.305 -12.296 -3.024 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.637 -11.279 -3.818 1.00 0.00 C ATOM 375 CD2 TRP A 25 20.235 -11.971 -2.272 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.742 -10.326 -3.531 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.822 -10.671 -2.574 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.528 -12.677 -1.310 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.732 -10.109 -1.927 1.00 0.00 C ATOM 380 CZ3 TRP A 25 18.451 -12.107 -0.669 1.00 0.00 C ATOM 381 CH2 TRP A 25 18.054 -10.828 -0.978 1.00 0.00 C ATOM 0 H TRP A 25 22.483 -13.127 0.067 1.00 0.00 H new ATOM 0 HA TRP A 25 21.202 -14.470 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 25 23.058 -13.506 -3.474 1.00 0.00 H new ATOM 0 HB3 TRP A 25 21.539 -14.340 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.446 -11.234 -4.532 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.744 -9.414 -3.988 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.826 -13.685 -1.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.418 -9.105 -2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.915 -12.669 0.082 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.207 -10.389 -0.472 1.00 0.00 H new ATOM 392 N SER A 26 23.751 -15.985 -0.931 1.00 0.00 N ATOM 393 CA SER A 26 24.503 -17.269 -0.973 1.00 0.00 C ATOM 394 C SER A 26 23.580 -18.486 -0.789 1.00 0.00 C ATOM 395 O SER A 26 24.034 -19.567 -0.485 1.00 0.00 O ATOM 396 CB SER A 26 25.519 -17.223 0.178 1.00 0.00 C ATOM 397 OG SER A 26 26.777 -17.090 -0.461 1.00 0.00 O ATOM 0 H SER A 26 23.980 -15.384 -0.139 1.00 0.00 H new ATOM 0 HA SER A 26 24.984 -17.379 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 26 25.323 -16.385 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 26 25.475 -18.129 0.782 1.00 0.00 H new ATOM 0 HG SER A 26 27.485 -17.052 0.215 1.00 0.00 H new ATOM 403 N SER A 27 22.308 -18.275 -0.985 1.00 0.00 N ATOM 404 CA SER A 27 21.318 -19.384 -0.836 1.00 0.00 C ATOM 405 C SER A 27 21.380 -20.061 0.526 1.00 0.00 C ATOM 406 O SER A 27 21.992 -19.569 1.458 1.00 0.00 O ATOM 407 CB SER A 27 21.593 -20.425 -1.935 1.00 0.00 C ATOM 408 OG SER A 27 20.447 -21.261 -1.918 1.00 0.00 O ATOM 0 H SER A 27 21.906 -17.374 -1.244 1.00 0.00 H new ATOM 0 HA SER A 27 20.320 -18.955 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 27 21.726 -19.951 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 27 22.502 -20.991 -1.729 1.00 0.00 H new ATOM 0 HG SER A 27 19.638 -20.708 -1.934 1.00 0.00 H new ATOM 414 N THR A 28 20.735 -21.186 0.601 1.00 0.00 N ATOM 415 CA THR A 28 20.705 -21.949 1.863 1.00 0.00 C ATOM 416 C THR A 28 22.071 -22.198 2.437 1.00 0.00 C ATOM 417 O THR A 28 22.832 -22.983 1.913 1.00 0.00 O ATOM 418 CB THR A 28 20.050 -23.297 1.617 1.00 0.00 C ATOM 419 OG1 THR A 28 18.685 -23.016 1.372 1.00 0.00 O ATOM 420 CG2 THR A 28 20.056 -24.110 2.911 1.00 0.00 C ATOM 0 H THR A 28 20.222 -21.611 -0.171 1.00 0.00 H new ATOM 0 HA THR A 28 20.145 -21.346 2.578 1.00 0.00 H new ATOM 0 HB THR A 28 20.559 -23.830 0.814 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.591 -22.088 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.586 -25.078 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 28 21.084 -24.261 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.503 -23.573 3.681 1.00 0.00 H new ATOM 428 N SER A 29 22.348 -21.529 3.521 1.00 0.00 N ATOM 429 CA SER A 29 23.664 -21.694 4.182 1.00 0.00 C ATOM 430 C SER A 29 23.936 -20.544 5.155 1.00 0.00 C ATOM 431 O SER A 29 24.548 -19.551 4.797 1.00 0.00 O ATOM 432 CB SER A 29 24.765 -21.709 3.108 1.00 0.00 C ATOM 433 OG SER A 29 25.977 -21.641 3.848 1.00 0.00 O ATOM 0 H SER A 29 21.714 -20.873 3.977 1.00 0.00 H new ATOM 0 HA SER A 29 23.658 -22.630 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.718 -22.614 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.667 -20.864 2.426 1.00 0.00 H new ATOM 0 HG SER A 29 26.738 -21.647 3.231 1.00 0.00 H new ATOM 439 N PRO A 30 23.457 -20.696 6.384 1.00 0.00 N ATOM 440 CA PRO A 30 22.663 -21.872 6.823 1.00 0.00 C ATOM 441 C PRO A 30 21.170 -21.785 6.419 1.00 0.00 C ATOM 442 O PRO A 30 20.401 -22.672 6.722 1.00 0.00 O ATOM 443 CB PRO A 30 22.751 -21.821 8.363 1.00 0.00 C ATOM 444 CG PRO A 30 23.342 -20.430 8.748 1.00 0.00 C ATOM 445 CD PRO A 30 23.761 -19.731 7.442 1.00 0.00 C ATOM 0 HA PRO A 30 23.048 -22.784 6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.766 -21.957 8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 30 23.384 -22.625 8.739 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.603 -19.833 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.198 -20.547 9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.212 -18.801 7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 30 24.821 -19.477 7.452 1.00 0.00 H new ATOM 453 N HIS A 31 20.791 -20.734 5.731 1.00 0.00 N ATOM 454 CA HIS A 31 19.360 -20.598 5.317 1.00 0.00 C ATOM 455 C HIS A 31 19.298 -19.765 4.043 1.00 0.00 C ATOM 456 O HIS A 31 20.343 -19.351 3.576 1.00 0.00 O ATOM 457 CB HIS A 31 18.625 -19.868 6.471 1.00 0.00 C ATOM 458 CG HIS A 31 17.348 -19.200 5.963 1.00 0.00 C ATOM 459 ND1 HIS A 31 16.186 -19.626 6.155 1.00 0.00 N ATOM 460 CD2 HIS A 31 17.196 -18.042 5.224 1.00 0.00 C ATOM 461 CE1 HIS A 31 15.324 -18.863 5.621 1.00 0.00 C ATOM 462 NE2 HIS A 31 15.879 -17.825 5.004 1.00 0.00 N ATOM 0 H HIS A 31 21.404 -19.972 5.441 1.00 0.00 H new ATOM 0 HA HIS A 31 18.898 -21.566 5.124 1.00 0.00 H new ATOM 0 HB2 HIS A 31 18.380 -20.579 7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 31 19.283 -19.118 6.911 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.001 -17.411 4.877 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.259 -19.038 5.663 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.429 -17.063 4.497 1.00 0.00 H new ATOM 470 N ARG A 32 18.081 -19.555 3.492 1.00 0.00 N ATOM 471 CA ARG A 32 17.924 -18.733 2.223 1.00 0.00 C ATOM 472 C ARG A 32 17.679 -19.641 0.998 1.00 0.00 C ATOM 473 O ARG A 32 18.551 -20.358 0.571 1.00 0.00 O ATOM 474 CB ARG A 32 19.221 -17.960 2.050 1.00 0.00 C ATOM 475 CG ARG A 32 19.137 -16.812 1.061 1.00 0.00 C ATOM 476 CD ARG A 32 20.582 -16.368 0.809 1.00 0.00 C ATOM 477 NE ARG A 32 21.482 -17.006 1.872 1.00 0.00 N ATOM 478 CZ ARG A 32 22.720 -16.713 1.929 1.00 0.00 C ATOM 479 NH1 ARG A 32 23.070 -15.492 1.820 1.00 0.00 N ATOM 480 NH2 ARG A 32 23.557 -17.663 2.112 1.00 0.00 N ATOM 0 H ARG A 32 17.208 -19.920 3.873 1.00 0.00 H new ATOM 0 HA ARG A 32 17.065 -18.066 2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.528 -17.567 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.000 -18.649 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.659 -17.129 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.541 -15.993 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 32 20.902 -16.670 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.657 -15.281 0.853 1.00 0.00 H new ATOM 0 HE ARG A 32 21.087 -17.670 2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 32 22.363 -14.768 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 32 24.057 -15.239 1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.226 -18.623 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.555 -17.460 2.162 1.00 0.00 H new ATOM 494 N PRO A 33 16.466 -19.589 0.472 1.00 0.00 N ATOM 495 CA PRO A 33 16.087 -20.398 -0.697 1.00 0.00 C ATOM 496 C PRO A 33 16.834 -19.976 -1.977 1.00 0.00 C ATOM 497 O PRO A 33 17.852 -19.319 -1.925 1.00 0.00 O ATOM 498 CB PRO A 33 14.570 -20.143 -0.870 1.00 0.00 C ATOM 499 CG PRO A 33 14.147 -19.085 0.193 1.00 0.00 C ATOM 500 CD PRO A 33 15.394 -18.741 1.023 1.00 0.00 C ATOM 0 HA PRO A 33 16.339 -21.447 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.354 -19.783 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.008 -21.067 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.750 -18.193 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.357 -19.479 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 33 15.645 -17.684 0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.233 -18.947 2.081 1.00 0.00 H new ATOM 508 N ARG A 34 16.285 -20.361 -3.105 1.00 0.00 N ATOM 509 CA ARG A 34 16.920 -20.010 -4.410 1.00 0.00 C ATOM 510 C ARG A 34 16.286 -18.746 -4.979 1.00 0.00 C ATOM 511 O ARG A 34 16.082 -18.615 -6.170 1.00 0.00 O ATOM 512 CB ARG A 34 16.697 -21.181 -5.389 1.00 0.00 C ATOM 513 CG ARG A 34 15.221 -21.602 -5.360 1.00 0.00 C ATOM 514 CD ARG A 34 15.058 -22.821 -4.450 1.00 0.00 C ATOM 515 NE ARG A 34 13.623 -22.924 -4.046 1.00 0.00 N ATOM 516 CZ ARG A 34 13.231 -23.936 -3.355 1.00 0.00 C ATOM 517 NH1 ARG A 34 13.095 -25.068 -3.941 1.00 0.00 N ATOM 518 NH2 ARG A 34 12.984 -23.775 -2.108 1.00 0.00 N ATOM 0 H ARG A 34 15.424 -20.903 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 34 17.986 -19.832 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.981 -20.884 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.332 -22.024 -5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.604 -20.779 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.879 -21.838 -6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.371 -23.726 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.693 -22.724 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 34 12.960 -22.198 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.297 -25.154 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.785 -25.883 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.099 -22.856 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.672 -24.565 -1.544 1.00 0.00 H new ATOM 532 N PHE A 35 15.978 -17.855 -4.090 1.00 0.00 N ATOM 533 CA PHE A 35 15.348 -16.557 -4.484 1.00 0.00 C ATOM 534 C PHE A 35 16.247 -15.760 -5.462 1.00 0.00 C ATOM 535 O PHE A 35 16.904 -14.805 -5.084 1.00 0.00 O ATOM 536 CB PHE A 35 15.160 -15.755 -3.174 1.00 0.00 C ATOM 537 CG PHE A 35 14.222 -14.541 -3.358 1.00 0.00 C ATOM 538 CD1 PHE A 35 14.326 -13.706 -4.460 1.00 0.00 C ATOM 539 CD2 PHE A 35 13.315 -14.212 -2.361 1.00 0.00 C ATOM 540 CE1 PHE A 35 13.553 -12.573 -4.554 1.00 0.00 C ATOM 541 CE2 PHE A 35 12.542 -13.073 -2.463 1.00 0.00 C ATOM 542 CZ PHE A 35 12.666 -12.254 -3.558 1.00 0.00 C ATOM 0 H PHE A 35 16.135 -17.965 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 35 14.403 -16.734 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.754 -16.411 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.131 -15.410 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.020 -13.948 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.213 -14.853 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.645 -11.930 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.839 -12.826 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.066 -11.360 -3.635 1.00 0.00 H new ATOM 552 N SER A 36 16.277 -16.198 -6.697 1.00 0.00 N ATOM 553 CA SER A 36 17.110 -15.496 -7.718 1.00 0.00 C ATOM 554 C SER A 36 16.600 -15.748 -9.162 1.00 0.00 C ATOM 555 O SER A 36 17.387 -15.893 -10.081 1.00 0.00 O ATOM 556 CB SER A 36 18.552 -16.011 -7.615 1.00 0.00 C ATOM 557 OG SER A 36 19.273 -15.187 -8.526 1.00 0.00 O ATOM 0 H SER A 36 15.762 -17.009 -7.040 1.00 0.00 H new ATOM 0 HA SER A 36 17.051 -14.426 -7.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 18.938 -15.918 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.621 -17.064 -7.887 1.00 0.00 H new ATOM 0 HG SER A 36 18.977 -15.374 -9.441 1.00 0.00 H new ATOM 563 N PRO A 37 15.282 -15.808 -9.337 1.00 0.00 N ATOM 564 CA PRO A 37 14.698 -16.040 -10.664 1.00 0.00 C ATOM 565 C PRO A 37 14.819 -14.799 -11.560 1.00 0.00 C ATOM 566 O PRO A 37 14.976 -13.695 -11.079 1.00 0.00 O ATOM 567 CB PRO A 37 13.207 -16.306 -10.381 1.00 0.00 C ATOM 568 CG PRO A 37 12.942 -15.885 -8.910 1.00 0.00 C ATOM 569 CD PRO A 37 14.298 -15.670 -8.245 1.00 0.00 C ATOM 0 HA PRO A 37 15.203 -16.856 -11.182 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.577 -15.737 -11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.968 -17.359 -10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.348 -14.972 -8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.376 -16.655 -8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.359 -14.686 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.474 -16.405 -7.459 1.00 0.00 H new ATOM 577 N ALA A 38 14.738 -15.009 -12.849 1.00 0.00 N ATOM 578 CA ALA A 38 14.843 -13.859 -13.797 1.00 0.00 C ATOM 579 C ALA A 38 13.446 -13.344 -14.172 1.00 0.00 C ATOM 580 O ALA A 38 13.302 -12.335 -14.831 1.00 0.00 O ATOM 581 CB ALA A 38 15.553 -14.351 -15.067 1.00 0.00 C ATOM 0 H ALA A 38 14.604 -15.922 -13.284 1.00 0.00 H new ATOM 0 HA ALA A 38 15.400 -13.048 -13.328 1.00 0.00 H new ATOM 0 HB1 ALA A 38 15.642 -13.528 -15.776 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.547 -14.717 -14.810 1.00 0.00 H new ATOM 0 HB3 ALA A 38 14.975 -15.157 -15.518 1.00 0.00 H new ATOM 587 N THR A 39 12.447 -14.063 -13.732 1.00 0.00 N ATOM 588 CA THR A 39 11.049 -13.672 -14.026 1.00 0.00 C ATOM 589 C THR A 39 10.444 -12.929 -12.829 1.00 0.00 C ATOM 590 O THR A 39 9.256 -13.006 -12.568 1.00 0.00 O ATOM 591 CB THR A 39 10.241 -14.961 -14.304 1.00 0.00 C ATOM 592 OG1 THR A 39 8.923 -14.537 -14.586 1.00 0.00 O ATOM 593 CG2 THR A 39 10.106 -15.819 -13.035 1.00 0.00 C ATOM 0 H THR A 39 12.548 -14.912 -13.176 1.00 0.00 H new ATOM 0 HA THR A 39 11.020 -13.009 -14.891 1.00 0.00 H new ATOM 0 HB THR A 39 10.731 -15.527 -15.096 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.600 -13.966 -13.858 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.533 -16.718 -13.263 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.097 -16.101 -12.679 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.592 -15.247 -12.262 1.00 0.00 H new ATOM 601 N HIS A 40 11.288 -12.231 -12.119 1.00 0.00 N ATOM 602 CA HIS A 40 10.809 -11.466 -10.927 1.00 0.00 C ATOM 603 C HIS A 40 11.006 -9.941 -11.102 1.00 0.00 C ATOM 604 O HIS A 40 12.065 -9.488 -11.486 1.00 0.00 O ATOM 605 CB HIS A 40 11.644 -11.913 -9.725 1.00 0.00 C ATOM 606 CG HIS A 40 10.960 -13.068 -9.004 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.672 -13.200 -7.672 1.00 0.00 N flip ATOM 608 CD2 HIS A 40 10.570 -14.131 -9.535 1.00 0.00 C flip ATOM 609 CE1 HIS A 40 10.093 -14.402 -7.446 1.00 0.00 C flip ATOM 610 NE2 HIS A 40 10.069 -14.921 -8.665 1.00 0.00 N flip ATOM 0 H HIS A 40 12.287 -12.156 -12.310 1.00 0.00 H new ATOM 0 HA HIS A 40 9.745 -11.661 -10.793 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.636 -12.219 -10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.781 -11.078 -9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.647 -14.352 -10.589 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.743 -14.827 -6.517 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.694 -15.844 -8.883 1.00 0.00 H new ATOM 618 N PRO A 41 9.963 -9.181 -10.789 1.00 0.00 N ATOM 619 CA PRO A 41 10.004 -7.713 -10.904 1.00 0.00 C ATOM 620 C PRO A 41 11.148 -7.127 -10.077 1.00 0.00 C ATOM 621 O PRO A 41 11.644 -7.767 -9.186 1.00 0.00 O ATOM 622 CB PRO A 41 8.649 -7.239 -10.325 1.00 0.00 C ATOM 623 CG PRO A 41 7.832 -8.509 -9.946 1.00 0.00 C ATOM 624 CD PRO A 41 8.695 -9.732 -10.294 1.00 0.00 C ATOM 0 HA PRO A 41 10.164 -7.395 -11.934 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.806 -6.609 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.108 -6.639 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.585 -8.503 -8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.889 -8.536 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.855 -10.363 -9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.213 -10.352 -11.050 1.00 0.00 H new ATOM 632 N SER A 42 11.542 -5.919 -10.380 1.00 0.00 N ATOM 633 CA SER A 42 12.661 -5.296 -9.600 1.00 0.00 C ATOM 634 C SER A 42 13.666 -6.365 -9.141 1.00 0.00 C ATOM 635 O SER A 42 13.853 -6.592 -7.956 1.00 0.00 O ATOM 636 CB SER A 42 12.061 -4.585 -8.362 1.00 0.00 C ATOM 637 OG SER A 42 11.660 -5.640 -7.488 1.00 0.00 O ATOM 0 H SER A 42 11.147 -5.341 -11.122 1.00 0.00 H new ATOM 0 HA SER A 42 13.187 -4.582 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.795 -3.935 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.213 -3.958 -8.639 1.00 0.00 H new ATOM 0 HG SER A 42 12.374 -6.309 -7.433 1.00 0.00 H new ATOM 643 N GLU A 43 14.282 -7.005 -10.093 1.00 0.00 N ATOM 644 CA GLU A 43 15.276 -8.063 -9.760 1.00 0.00 C ATOM 645 C GLU A 43 16.571 -7.455 -9.232 1.00 0.00 C ATOM 646 O GLU A 43 17.655 -7.876 -9.583 1.00 0.00 O ATOM 647 CB GLU A 43 15.573 -8.869 -11.044 1.00 0.00 C ATOM 648 CG GLU A 43 15.861 -7.902 -12.208 1.00 0.00 C ATOM 649 CD GLU A 43 14.608 -7.752 -13.071 1.00 0.00 C ATOM 650 OE1 GLU A 43 14.398 -8.641 -13.872 1.00 0.00 O ATOM 651 OE2 GLU A 43 13.932 -6.754 -12.877 1.00 0.00 O ATOM 0 H GLU A 43 14.140 -6.841 -11.090 1.00 0.00 H new ATOM 0 HA GLU A 43 14.866 -8.707 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.428 -9.525 -10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.724 -9.507 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.166 -6.930 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.687 -8.278 -12.811 1.00 0.00 H new ATOM 658 N GLY A 44 16.427 -6.485 -8.369 1.00 0.00 N ATOM 659 CA GLY A 44 17.627 -5.821 -7.792 1.00 0.00 C ATOM 660 C GLY A 44 18.282 -6.706 -6.734 1.00 0.00 C ATOM 661 O GLY A 44 18.869 -6.211 -5.801 1.00 0.00 O ATOM 0 H GLY A 44 15.531 -6.126 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.343 -5.603 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.342 -4.867 -7.349 1.00 0.00 H new ATOM 665 N LEU A 45 18.153 -8.001 -6.891 1.00 0.00 N ATOM 666 CA LEU A 45 18.757 -8.927 -5.915 1.00 0.00 C ATOM 667 C LEU A 45 20.265 -8.975 -6.080 1.00 0.00 C ATOM 668 O LEU A 45 20.834 -9.995 -6.415 1.00 0.00 O ATOM 669 CB LEU A 45 18.176 -10.315 -6.174 1.00 0.00 C ATOM 670 CG LEU A 45 16.803 -10.459 -5.507 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.883 -11.647 -4.571 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.432 -9.205 -4.698 1.00 0.00 C ATOM 0 H LEU A 45 17.652 -8.447 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 45 18.538 -8.590 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.084 -10.482 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.855 -11.077 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 45 16.039 -10.594 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.922 -11.784 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.128 -12.543 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.656 -11.470 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.453 -9.344 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.177 -9.041 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.403 -8.340 -5.361 1.00 0.00 H new ATOM 684 N GLU A 46 20.877 -7.866 -5.833 1.00 0.00 N ATOM 685 CA GLU A 46 22.328 -7.784 -5.955 1.00 0.00 C ATOM 686 C GLU A 46 23.009 -8.224 -4.658 1.00 0.00 C ATOM 687 O GLU A 46 22.644 -7.781 -3.591 1.00 0.00 O ATOM 688 CB GLU A 46 22.670 -6.309 -6.273 1.00 0.00 C ATOM 689 CG GLU A 46 23.461 -5.671 -5.119 1.00 0.00 C ATOM 690 CD GLU A 46 23.856 -4.245 -5.513 1.00 0.00 C ATOM 691 OE1 GLU A 46 24.414 -4.111 -6.591 1.00 0.00 O ATOM 692 OE2 GLU A 46 23.575 -3.371 -4.717 1.00 0.00 O ATOM 0 H GLU A 46 20.418 -7.001 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 46 22.685 -8.446 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.253 -6.256 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.752 -5.747 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.857 -5.657 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.351 -6.261 -4.901 1.00 0.00 H new ATOM 699 N GLU A 47 23.976 -9.111 -4.794 1.00 0.00 N ATOM 700 CA GLU A 47 24.733 -9.630 -3.597 1.00 0.00 C ATOM 701 C GLU A 47 23.831 -9.990 -2.402 1.00 0.00 C ATOM 702 O GLU A 47 23.630 -11.132 -2.093 1.00 0.00 O ATOM 703 CB GLU A 47 25.726 -8.531 -3.156 1.00 0.00 C ATOM 704 CG GLU A 47 27.059 -8.705 -3.925 1.00 0.00 C ATOM 705 CD GLU A 47 28.242 -8.202 -3.076 1.00 0.00 C ATOM 706 OE1 GLU A 47 28.143 -8.330 -1.864 1.00 0.00 O ATOM 707 OE2 GLU A 47 29.183 -7.726 -3.692 1.00 0.00 O ATOM 0 H GLU A 47 24.275 -9.500 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 47 25.232 -10.551 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.306 -7.545 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.902 -8.594 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.206 -9.755 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.018 -8.154 -4.865 1.00 0.00 H new ATOM 714 N ASN A 48 23.329 -9.001 -1.778 1.00 0.00 N ATOM 715 CA ASN A 48 22.426 -9.197 -0.583 1.00 0.00 C ATOM 716 C ASN A 48 21.478 -8.015 -0.483 1.00 0.00 C ATOM 717 O ASN A 48 21.366 -7.372 0.549 1.00 0.00 O ATOM 718 CB ASN A 48 23.335 -9.199 0.641 1.00 0.00 C ATOM 719 CG ASN A 48 24.136 -7.878 0.737 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.133 -7.036 -0.263 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 24.766 -7.603 1.737 1.00 0.00 N flip ATOM 0 H ASN A 48 23.492 -8.026 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 48 21.848 -10.118 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.737 -9.333 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.023 -10.043 0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 48 24.778 -8.249 2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 48 25.283 -6.725 1.789 1.00 0.00 H new ATOM 728 N TYR A 49 20.804 -7.785 -1.551 1.00 0.00 N ATOM 729 CA TYR A 49 19.856 -6.672 -1.616 1.00 0.00 C ATOM 730 C TYR A 49 18.474 -6.871 -1.074 1.00 0.00 C ATOM 731 O TYR A 49 18.118 -7.870 -0.488 1.00 0.00 O ATOM 732 CB TYR A 49 19.669 -6.382 -3.087 1.00 0.00 C ATOM 733 CG TYR A 49 20.045 -4.950 -3.305 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.217 -4.478 -2.779 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.225 -4.107 -3.997 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.565 -3.160 -2.946 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.568 -2.788 -4.164 1.00 0.00 C ATOM 738 CZ TYR A 49 20.739 -2.304 -3.642 1.00 0.00 C ATOM 739 OH TYR A 49 21.094 -0.992 -3.830 1.00 0.00 O ATOM 0 H TYR A 49 20.873 -8.338 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 49 20.297 -5.897 -0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.293 -7.040 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.636 -6.559 -3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.869 -5.143 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.302 -4.479 -4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.491 -2.792 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.911 -2.128 -4.710 1.00 0.00 H new ATOM 0 HH TYR A 49 20.533 -0.598 -4.530 1.00 0.00 H new ATOM 749 N CYS A 50 17.724 -5.821 -1.307 1.00 0.00 N ATOM 750 CA CYS A 50 16.335 -5.750 -0.892 1.00 0.00 C ATOM 751 C CYS A 50 15.559 -5.051 -1.987 1.00 0.00 C ATOM 752 O CYS A 50 15.866 -3.924 -2.325 1.00 0.00 O ATOM 753 CB CYS A 50 16.216 -4.877 0.330 1.00 0.00 C ATOM 754 SG CYS A 50 17.129 -5.331 1.814 1.00 0.00 S ATOM 0 H CYS A 50 18.056 -4.987 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 50 15.965 -6.755 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.525 -3.871 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.160 -4.824 0.596 1.00 0.00 H new ATOM 759 N ARG A 51 14.587 -5.699 -2.521 1.00 0.00 N ATOM 760 CA ARG A 51 13.793 -5.021 -3.621 1.00 0.00 C ATOM 761 C ARG A 51 12.343 -5.535 -3.666 1.00 0.00 C ATOM 762 O ARG A 51 11.713 -5.657 -2.640 1.00 0.00 O ATOM 763 CB ARG A 51 14.517 -5.279 -4.971 1.00 0.00 C ATOM 764 CG ARG A 51 14.563 -3.968 -5.788 1.00 0.00 C ATOM 765 CD ARG A 51 15.638 -3.028 -5.205 1.00 0.00 C ATOM 766 NE ARG A 51 15.867 -1.887 -6.165 1.00 0.00 N ATOM 767 CZ ARG A 51 17.061 -1.658 -6.623 1.00 0.00 C ATOM 768 NH1 ARG A 51 17.838 -0.860 -5.972 1.00 0.00 N ATOM 769 NH2 ARG A 51 17.428 -2.226 -7.716 1.00 0.00 N ATOM 0 H ARG A 51 14.292 -6.643 -2.272 1.00 0.00 H new ATOM 0 HA ARG A 51 13.739 -3.950 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.528 -5.643 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.995 -6.053 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.786 -4.187 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.589 -3.480 -5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.318 -2.646 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.567 -3.574 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 51 15.087 -1.297 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.512 -0.420 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.779 -0.669 -6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.785 -2.845 -8.210 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.362 -2.057 -8.090 1.00 0.00 H new ATOM 783 N ASN A 52 11.809 -5.794 -4.835 1.00 0.00 N ATOM 784 CA ASN A 52 10.405 -6.295 -4.864 1.00 0.00 C ATOM 785 C ASN A 52 10.167 -7.414 -5.926 1.00 0.00 C ATOM 786 O ASN A 52 9.145 -7.436 -6.590 1.00 0.00 O ATOM 787 CB ASN A 52 9.486 -5.115 -5.201 1.00 0.00 C ATOM 788 CG ASN A 52 8.541 -4.840 -4.034 1.00 0.00 C ATOM 789 OD1 ASN A 52 7.460 -4.328 -4.212 1.00 0.00 O ATOM 790 ND2 ASN A 52 8.911 -5.149 -2.830 1.00 0.00 N ATOM 0 H ASN A 52 12.267 -5.684 -5.740 1.00 0.00 H new ATOM 0 HA ASN A 52 10.194 -6.727 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.083 -4.228 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.912 -5.336 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.292 -4.960 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.821 -5.581 -2.671 1.00 0.00 H new ATOM 797 N PRO A 53 11.100 -8.341 -6.041 1.00 0.00 N ATOM 798 CA PRO A 53 10.983 -9.431 -6.997 1.00 0.00 C ATOM 799 C PRO A 53 9.878 -10.363 -6.576 1.00 0.00 C ATOM 800 O PRO A 53 9.095 -10.807 -7.381 1.00 0.00 O ATOM 801 CB PRO A 53 12.358 -10.141 -6.951 1.00 0.00 C ATOM 802 CG PRO A 53 13.219 -9.380 -5.916 1.00 0.00 C ATOM 803 CD PRO A 53 12.288 -8.391 -5.216 1.00 0.00 C ATOM 0 HA PRO A 53 10.739 -9.089 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.244 -11.187 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.832 -10.129 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.662 -10.070 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.042 -8.858 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.052 -8.721 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.750 -7.408 -5.131 1.00 0.00 H new ATOM 811 N ASP A 54 9.834 -10.634 -5.317 1.00 0.00 N ATOM 812 CA ASP A 54 8.779 -11.541 -4.809 1.00 0.00 C ATOM 813 C ASP A 54 7.421 -10.818 -4.801 1.00 0.00 C ATOM 814 O ASP A 54 6.446 -11.324 -4.284 1.00 0.00 O ATOM 815 CB ASP A 54 9.167 -11.956 -3.378 1.00 0.00 C ATOM 816 CG ASP A 54 8.742 -13.406 -3.133 1.00 0.00 C ATOM 817 OD1 ASP A 54 9.133 -14.230 -3.950 1.00 0.00 O ATOM 818 OD2 ASP A 54 8.057 -13.608 -2.145 1.00 0.00 O ATOM 0 H ASP A 54 10.478 -10.271 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 54 8.691 -12.419 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.243 -11.853 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.686 -11.298 -2.654 1.00 0.00 H new ATOM 823 N ASN A 55 7.396 -9.642 -5.399 1.00 0.00 N ATOM 824 CA ASN A 55 6.133 -8.847 -5.456 1.00 0.00 C ATOM 825 C ASN A 55 5.620 -8.531 -4.053 1.00 0.00 C ATOM 826 O ASN A 55 4.661 -9.117 -3.580 1.00 0.00 O ATOM 827 CB ASN A 55 5.073 -9.663 -6.214 1.00 0.00 C ATOM 828 CG ASN A 55 3.868 -8.774 -6.492 1.00 0.00 C ATOM 829 OD1 ASN A 55 3.690 -8.269 -7.575 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.021 -8.551 -5.537 1.00 0.00 N ATOM 0 H ASN A 55 8.200 -9.205 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 55 6.331 -7.905 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.486 -10.040 -7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.773 -10.530 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.211 -7.953 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.164 -8.973 -4.620 1.00 0.00 H new ATOM 837 N ASP A 56 6.254 -7.587 -3.427 1.00 0.00 N ATOM 838 CA ASP A 56 5.830 -7.206 -2.057 1.00 0.00 C ATOM 839 C ASP A 56 5.749 -5.680 -1.921 1.00 0.00 C ATOM 840 O ASP A 56 6.651 -5.039 -1.419 1.00 0.00 O ATOM 841 CB ASP A 56 6.881 -7.772 -1.047 1.00 0.00 C ATOM 842 CG ASP A 56 6.209 -8.724 -0.049 1.00 0.00 C ATOM 843 OD1 ASP A 56 5.051 -9.038 -0.277 1.00 0.00 O ATOM 844 OD2 ASP A 56 6.896 -9.086 0.887 1.00 0.00 O ATOM 0 H ASP A 56 7.045 -7.064 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 56 4.842 -7.617 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.667 -8.299 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.358 -6.951 -0.511 1.00 0.00 H new ATOM 849 N PRO A 57 4.643 -5.121 -2.373 1.00 0.00 N ATOM 850 CA PRO A 57 4.435 -3.672 -2.305 1.00 0.00 C ATOM 851 C PRO A 57 4.557 -3.167 -0.867 1.00 0.00 C ATOM 852 O PRO A 57 4.762 -1.989 -0.631 1.00 0.00 O ATOM 853 CB PRO A 57 2.998 -3.456 -2.827 1.00 0.00 C ATOM 854 CG PRO A 57 2.453 -4.845 -3.283 1.00 0.00 C ATOM 855 CD PRO A 57 3.536 -5.892 -2.963 1.00 0.00 C ATOM 0 HA PRO A 57 5.178 -3.128 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.366 -3.033 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.994 -2.750 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.524 -5.082 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.229 -4.838 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.165 -6.645 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.856 -6.418 -3.863 1.00 0.00 H new ATOM 863 N GLN A 58 4.427 -4.083 0.063 1.00 0.00 N ATOM 864 CA GLN A 58 4.527 -3.715 1.492 1.00 0.00 C ATOM 865 C GLN A 58 5.911 -3.155 1.829 1.00 0.00 C ATOM 866 O GLN A 58 6.046 -2.313 2.697 1.00 0.00 O ATOM 867 CB GLN A 58 4.283 -4.987 2.335 1.00 0.00 C ATOM 868 CG GLN A 58 5.282 -6.085 1.918 1.00 0.00 C ATOM 869 CD GLN A 58 5.141 -7.289 2.851 1.00 0.00 C ATOM 870 OE1 GLN A 58 5.429 -7.218 4.026 1.00 0.00 O ATOM 871 NE2 GLN A 58 4.707 -8.408 2.375 1.00 0.00 N ATOM 0 H GLN A 58 4.255 -5.072 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 58 3.787 -2.945 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.398 -4.760 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.261 -5.339 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.096 -6.387 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.300 -5.698 1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.461 -8.481 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.610 -9.219 2.986 1.00 0.00 H new ATOM 880 N GLY A 59 6.917 -3.634 1.136 1.00 0.00 N ATOM 881 CA GLY A 59 8.300 -3.132 1.411 1.00 0.00 C ATOM 882 C GLY A 59 9.356 -3.953 0.654 1.00 0.00 C ATOM 883 O GLY A 59 9.120 -5.074 0.242 1.00 0.00 O ATOM 0 H GLY A 59 6.843 -4.340 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.373 -2.085 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.499 -3.179 2.482 1.00 0.00 H new ATOM 887 N PRO A 60 10.515 -3.348 0.475 1.00 0.00 N ATOM 888 CA PRO A 60 11.623 -3.998 -0.226 1.00 0.00 C ATOM 889 C PRO A 60 12.170 -5.156 0.614 1.00 0.00 C ATOM 890 O PRO A 60 13.089 -4.984 1.403 1.00 0.00 O ATOM 891 CB PRO A 60 12.700 -2.899 -0.360 1.00 0.00 C ATOM 892 CG PRO A 60 12.194 -1.656 0.436 1.00 0.00 C ATOM 893 CD PRO A 60 10.779 -1.977 0.938 1.00 0.00 C ATOM 0 HA PRO A 60 11.319 -4.407 -1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.655 -3.246 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.862 -2.645 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.858 -1.440 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.184 -0.771 -0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.720 -1.909 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.048 -1.276 0.535 1.00 0.00 H new ATOM 901 N TRP A 61 11.600 -6.309 0.407 1.00 0.00 N ATOM 902 CA TRP A 61 12.047 -7.520 1.172 1.00 0.00 C ATOM 903 C TRP A 61 13.554 -7.735 1.046 1.00 0.00 C ATOM 904 O TRP A 61 14.234 -7.053 0.300 1.00 0.00 O ATOM 905 CB TRP A 61 11.409 -8.765 0.530 1.00 0.00 C ATOM 906 CG TRP A 61 12.288 -9.059 -0.666 1.00 0.00 C ATOM 907 CD1 TRP A 61 12.452 -8.192 -1.615 1.00 0.00 C ATOM 908 CD2 TRP A 61 13.117 -10.075 -0.805 1.00 0.00 C ATOM 909 NE1 TRP A 61 13.444 -8.693 -2.358 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.906 -9.886 -1.920 1.00 0.00 C ATOM 911 CE3 TRP A 61 13.293 -11.207 -0.044 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.841 -10.800 -2.282 1.00 0.00 C ATOM 913 CZ3 TRP A 61 14.249 -12.142 -0.411 1.00 0.00 C ATOM 914 CH2 TRP A 61 15.022 -11.931 -1.532 1.00 0.00 C ATOM 0 H TRP A 61 10.843 -6.472 -0.257 1.00 0.00 H new ATOM 0 HA TRP A 61 11.764 -7.373 2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.388 -9.605 1.225 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.379 -8.574 0.230 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.909 -7.271 -1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.818 -8.219 -3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.689 -11.367 0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 15.443 -10.635 -3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.388 -13.035 0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.769 -12.656 -1.818 1.00 0.00 H new ATOM 925 N CYS A 62 14.019 -8.707 1.760 1.00 0.00 N ATOM 926 CA CYS A 62 15.464 -9.057 1.752 1.00 0.00 C ATOM 927 C CYS A 62 15.690 -10.140 2.748 1.00 0.00 C ATOM 928 O CYS A 62 15.118 -10.107 3.810 1.00 0.00 O ATOM 929 CB CYS A 62 16.305 -7.854 2.150 1.00 0.00 C ATOM 930 SG CYS A 62 17.554 -8.088 3.434 1.00 0.00 S ATOM 0 H CYS A 62 13.446 -9.293 2.367 1.00 0.00 H new ATOM 0 HA CYS A 62 15.750 -9.377 0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.809 -7.487 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.628 -7.066 2.481 1.00 0.00 H new ATOM 935 N TYR A 63 16.493 -11.091 2.410 1.00 0.00 N ATOM 936 CA TYR A 63 16.729 -12.169 3.375 1.00 0.00 C ATOM 937 C TYR A 63 18.104 -12.053 3.992 1.00 0.00 C ATOM 938 O TYR A 63 18.932 -11.276 3.559 1.00 0.00 O ATOM 939 CB TYR A 63 16.624 -13.520 2.659 1.00 0.00 C ATOM 940 CG TYR A 63 15.170 -14.018 2.661 1.00 0.00 C ATOM 941 CD1 TYR A 63 14.133 -13.162 2.368 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.880 -15.337 2.951 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.829 -13.614 2.362 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.575 -15.787 2.945 1.00 0.00 C ATOM 945 CZ TYR A 63 12.542 -14.925 2.650 1.00 0.00 C ATOM 946 OH TYR A 63 11.239 -15.369 2.635 1.00 0.00 O ATOM 0 H TYR A 63 16.988 -11.167 1.521 1.00 0.00 H new ATOM 0 HA TYR A 63 15.981 -12.093 4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.980 -13.423 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.266 -14.250 3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.342 -12.127 2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.681 -16.022 3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.027 -12.930 2.128 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.363 -16.821 3.173 1.00 0.00 H new ATOM 0 HH TYR A 63 10.723 -14.847 1.985 1.00 0.00 H new ATOM 956 N THR A 64 18.323 -12.835 4.992 1.00 0.00 N ATOM 957 CA THR A 64 19.637 -12.800 5.663 1.00 0.00 C ATOM 958 C THR A 64 20.205 -14.210 5.793 1.00 0.00 C ATOM 959 O THR A 64 19.569 -15.178 5.416 1.00 0.00 O ATOM 960 CB THR A 64 19.473 -12.197 7.069 1.00 0.00 C ATOM 961 OG1 THR A 64 19.371 -13.303 7.943 1.00 0.00 O ATOM 962 CG2 THR A 64 18.130 -11.462 7.223 1.00 0.00 C ATOM 0 H THR A 64 17.651 -13.499 5.377 1.00 0.00 H new ATOM 0 HA THR A 64 20.319 -12.193 5.068 1.00 0.00 H new ATOM 0 HB THR A 64 20.298 -11.511 7.261 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.486 -13.713 7.849 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.054 -11.051 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.073 -10.653 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.311 -12.161 7.053 1.00 0.00 H new ATOM 970 N THR A 65 21.381 -14.303 6.330 1.00 0.00 N ATOM 971 CA THR A 65 22.010 -15.640 6.493 1.00 0.00 C ATOM 972 C THR A 65 21.361 -16.449 7.609 1.00 0.00 C ATOM 973 O THR A 65 21.577 -17.637 7.704 1.00 0.00 O ATOM 974 CB THR A 65 23.483 -15.431 6.863 1.00 0.00 C ATOM 975 OG1 THR A 65 23.471 -14.535 7.964 1.00 0.00 O ATOM 976 CG2 THR A 65 24.224 -14.667 5.759 1.00 0.00 C ATOM 0 H THR A 65 21.936 -13.515 6.664 1.00 0.00 H new ATOM 0 HA THR A 65 21.889 -16.186 5.558 1.00 0.00 H new ATOM 0 HB THR A 65 23.956 -16.396 7.044 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.391 -14.360 8.253 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.267 -14.532 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.175 -15.233 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.758 -13.692 5.616 1.00 0.00 H new ATOM 984 N ASP A 66 20.565 -15.812 8.423 1.00 0.00 N ATOM 985 CA ASP A 66 19.917 -16.572 9.527 1.00 0.00 C ATOM 986 C ASP A 66 18.406 -16.800 9.327 1.00 0.00 C ATOM 987 O ASP A 66 17.654 -15.877 9.082 1.00 0.00 O ATOM 988 CB ASP A 66 20.112 -15.767 10.819 1.00 0.00 C ATOM 989 CG ASP A 66 21.284 -16.333 11.610 1.00 0.00 C ATOM 990 OD1 ASP A 66 21.322 -17.546 11.737 1.00 0.00 O ATOM 991 OD2 ASP A 66 22.072 -15.521 12.045 1.00 0.00 O ATOM 0 H ASP A 66 20.339 -14.819 8.374 1.00 0.00 H new ATOM 0 HA ASP A 66 20.382 -17.558 9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.295 -14.719 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.204 -15.803 11.421 1.00 0.00 H new ATOM 996 N PRO A 67 18.002 -18.056 9.453 1.00 0.00 N ATOM 997 CA PRO A 67 16.595 -18.460 9.301 1.00 0.00 C ATOM 998 C PRO A 67 15.679 -17.656 10.235 1.00 0.00 C ATOM 999 O PRO A 67 14.638 -17.185 9.827 1.00 0.00 O ATOM 1000 CB PRO A 67 16.574 -19.953 9.714 1.00 0.00 C ATOM 1001 CG PRO A 67 18.034 -20.342 10.106 1.00 0.00 C ATOM 1002 CD PRO A 67 18.930 -19.147 9.745 1.00 0.00 C ATOM 0 HA PRO A 67 16.236 -18.288 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.895 -20.111 10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.217 -20.575 8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.101 -20.566 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.351 -21.237 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.596 -18.889 10.569 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.560 -19.371 8.884 1.00 0.00 H new ATOM 1010 N GLU A 68 16.085 -17.522 11.479 1.00 0.00 N ATOM 1011 CA GLU A 68 15.247 -16.751 12.448 1.00 0.00 C ATOM 1012 C GLU A 68 14.906 -15.380 11.862 1.00 0.00 C ATOM 1013 O GLU A 68 13.763 -14.962 11.846 1.00 0.00 O ATOM 1014 CB GLU A 68 16.064 -16.556 13.742 1.00 0.00 C ATOM 1015 CG GLU A 68 16.173 -17.899 14.483 1.00 0.00 C ATOM 1016 CD GLU A 68 16.884 -17.691 15.827 1.00 0.00 C ATOM 1017 OE1 GLU A 68 16.250 -17.105 16.690 1.00 0.00 O ATOM 1018 OE2 GLU A 68 18.019 -18.135 15.915 1.00 0.00 O ATOM 0 H GLU A 68 16.949 -17.909 11.858 1.00 0.00 H new ATOM 0 HA GLU A 68 14.323 -17.291 12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.058 -16.177 13.504 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.584 -15.814 14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.180 -18.317 14.647 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.725 -18.617 13.876 1.00 0.00 H new ATOM 1025 N LYS A 69 15.918 -14.721 11.389 1.00 0.00 N ATOM 1026 CA LYS A 69 15.734 -13.379 10.788 1.00 0.00 C ATOM 1027 C LYS A 69 15.809 -13.511 9.275 1.00 0.00 C ATOM 1028 O LYS A 69 16.242 -12.617 8.590 1.00 0.00 O ATOM 1029 CB LYS A 69 16.898 -12.499 11.263 1.00 0.00 C ATOM 1030 CG LYS A 69 18.205 -13.051 10.669 1.00 0.00 C ATOM 1031 CD LYS A 69 19.399 -12.432 11.412 1.00 0.00 C ATOM 1032 CE LYS A 69 20.330 -11.769 10.399 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.621 -10.644 9.719 1.00 0.00 N ATOM 0 H LYS A 69 16.880 -15.060 11.393 1.00 0.00 H new ATOM 0 HA LYS A 69 14.775 -12.948 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.745 -11.467 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.949 -12.495 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.229 -14.137 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.262 -12.818 9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.050 -11.698 12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.935 -13.201 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.223 -11.397 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.660 -12.501 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.921 -10.595 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.594 -10.803 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.853 -9.749 10.195 1.00 0.00 H new ATOM 1047 N ARG A 70 15.372 -14.643 8.800 1.00 0.00 N ATOM 1048 CA ARG A 70 15.388 -14.921 7.338 1.00 0.00 C ATOM 1049 C ARG A 70 15.129 -13.710 6.454 1.00 0.00 C ATOM 1050 O ARG A 70 15.656 -13.658 5.371 1.00 0.00 O ATOM 1051 CB ARG A 70 14.322 -15.973 7.032 1.00 0.00 C ATOM 1052 CG ARG A 70 12.945 -15.307 6.883 1.00 0.00 C ATOM 1053 CD ARG A 70 11.946 -16.367 6.418 1.00 0.00 C ATOM 1054 NE ARG A 70 10.753 -15.692 5.821 1.00 0.00 N ATOM 1055 CZ ARG A 70 9.751 -16.401 5.436 1.00 0.00 C ATOM 1056 NH1 ARG A 70 8.844 -16.703 6.290 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.696 -16.780 4.210 1.00 0.00 N ATOM 0 H ARG A 70 14.998 -15.400 9.373 1.00 0.00 H new ATOM 0 HA ARG A 70 16.398 -15.260 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.578 -16.504 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.291 -16.713 7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.627 -14.876 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.994 -14.490 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.411 -17.025 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.643 -16.991 7.259 1.00 0.00 H new ATOM 0 HE ARG A 70 10.734 -14.677 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.925 -16.382 7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.042 -17.264 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.438 -16.518 3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.910 -17.343 3.885 1.00 0.00 H new ATOM 1071 N TYR A 71 14.342 -12.759 6.909 1.00 0.00 N ATOM 1072 CA TYR A 71 14.095 -11.588 6.039 1.00 0.00 C ATOM 1073 C TYR A 71 13.380 -10.414 6.725 1.00 0.00 C ATOM 1074 O TYR A 71 13.132 -10.410 7.912 1.00 0.00 O ATOM 1075 CB TYR A 71 13.228 -12.069 4.851 1.00 0.00 C ATOM 1076 CG TYR A 71 11.732 -11.869 5.149 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.200 -12.216 6.376 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.894 -11.337 4.188 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.857 -12.030 6.635 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.553 -11.154 4.451 1.00 0.00 C ATOM 1081 CZ TYR A 71 9.026 -11.498 5.673 1.00 0.00 C ATOM 1082 OH TYR A 71 7.688 -11.306 5.930 1.00 0.00 O ATOM 0 H TYR A 71 13.878 -12.751 7.818 1.00 0.00 H new ATOM 0 HA TYR A 71 15.069 -11.204 5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.500 -11.519 3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.426 -13.122 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.840 -12.636 7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.293 -11.062 3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.454 -12.304 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.911 -10.736 3.690 1.00 0.00 H new ATOM 0 HH TYR A 71 7.385 -10.484 5.490 1.00 0.00 H new ATOM 1092 N ASP A 72 13.071 -9.456 5.887 1.00 0.00 N ATOM 1093 CA ASP A 72 12.368 -8.199 6.294 1.00 0.00 C ATOM 1094 C ASP A 72 12.486 -7.197 5.108 1.00 0.00 C ATOM 1095 O ASP A 72 12.917 -7.590 4.032 1.00 0.00 O ATOM 1096 CB ASP A 72 13.043 -7.614 7.575 1.00 0.00 C ATOM 1097 CG ASP A 72 12.039 -7.540 8.745 1.00 0.00 C ATOM 1098 OD1 ASP A 72 10.849 -7.528 8.456 1.00 0.00 O ATOM 1099 OD2 ASP A 72 12.529 -7.484 9.864 1.00 0.00 O ATOM 0 H ASP A 72 13.288 -9.497 4.891 1.00 0.00 H new ATOM 0 HA ASP A 72 11.320 -8.390 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.892 -8.235 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.433 -6.619 7.362 1.00 0.00 H new ATOM 1104 N TYR A 73 12.125 -5.937 5.306 1.00 0.00 N ATOM 1105 CA TYR A 73 12.231 -4.943 4.154 1.00 0.00 C ATOM 1106 C TYR A 73 13.207 -3.806 4.457 1.00 0.00 C ATOM 1107 O TYR A 73 12.892 -2.906 5.193 1.00 0.00 O ATOM 1108 CB TYR A 73 10.825 -4.372 3.911 1.00 0.00 C ATOM 1109 CG TYR A 73 9.854 -5.528 4.048 1.00 0.00 C ATOM 1110 CD1 TYR A 73 9.347 -5.865 5.285 1.00 0.00 C ATOM 1111 CD2 TYR A 73 9.557 -6.323 2.966 1.00 0.00 C ATOM 1112 CE1 TYR A 73 8.566 -6.982 5.433 1.00 0.00 C ATOM 1113 CE2 TYR A 73 8.775 -7.441 3.119 1.00 0.00 C ATOM 1114 CZ TYR A 73 8.278 -7.776 4.351 1.00 0.00 C ATOM 1115 OH TYR A 73 7.488 -8.898 4.501 1.00 0.00 O ATOM 0 H TYR A 73 11.772 -5.557 6.184 1.00 0.00 H new ATOM 0 HA TYR A 73 12.614 -5.457 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.596 -3.587 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.756 -3.924 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.566 -5.246 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.941 -6.066 1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.175 -7.239 6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.550 -8.060 2.263 1.00 0.00 H new ATOM 0 HH TYR A 73 6.543 -8.638 4.478 1.00 0.00 H new ATOM 1125 N CYS A 74 14.377 -3.880 3.868 1.00 0.00 N ATOM 1126 CA CYS A 74 15.415 -2.812 4.105 1.00 0.00 C ATOM 1127 C CYS A 74 14.815 -1.462 4.442 1.00 0.00 C ATOM 1128 O CYS A 74 13.857 -1.032 3.830 1.00 0.00 O ATOM 1129 CB CYS A 74 16.232 -2.607 2.836 1.00 0.00 C ATOM 1130 SG CYS A 74 17.738 -3.580 2.603 1.00 0.00 S ATOM 0 H CYS A 74 14.662 -4.628 3.236 1.00 0.00 H new ATOM 0 HA CYS A 74 16.015 -3.160 4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.578 -2.803 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.509 -1.554 2.788 1.00 0.00 H new ATOM 1135 N ASP A 75 15.417 -0.799 5.384 1.00 0.00 N ATOM 1136 CA ASP A 75 14.906 0.525 5.780 1.00 0.00 C ATOM 1137 C ASP A 75 14.959 1.489 4.573 1.00 0.00 C ATOM 1138 O ASP A 75 15.937 2.183 4.356 1.00 0.00 O ATOM 1139 CB ASP A 75 15.791 1.043 6.951 1.00 0.00 C ATOM 1140 CG ASP A 75 15.675 2.562 7.097 1.00 0.00 C ATOM 1141 OD1 ASP A 75 14.638 3.070 6.718 1.00 0.00 O ATOM 1142 OD2 ASP A 75 16.637 3.123 7.591 1.00 0.00 O ATOM 0 H ASP A 75 16.240 -1.121 5.893 1.00 0.00 H new ATOM 0 HA ASP A 75 13.868 0.462 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.489 0.561 7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.831 0.770 6.774 1.00 0.00 H new ATOM 1147 N ILE A 76 13.912 1.463 3.790 1.00 0.00 N ATOM 1148 CA ILE A 76 13.841 2.341 2.600 1.00 0.00 C ATOM 1149 C ILE A 76 12.688 3.315 2.774 1.00 0.00 C ATOM 1150 O ILE A 76 11.641 2.949 3.274 1.00 0.00 O ATOM 1151 CB ILE A 76 13.585 1.473 1.350 1.00 0.00 C ATOM 1152 CG1 ILE A 76 14.923 1.085 0.707 1.00 0.00 C ATOM 1153 CG2 ILE A 76 12.758 2.301 0.328 1.00 0.00 C ATOM 1154 CD1 ILE A 76 14.674 0.072 -0.404 1.00 0.00 C ATOM 0 H ILE A 76 13.099 0.863 3.931 1.00 0.00 H new ATOM 0 HA ILE A 76 14.776 2.889 2.485 1.00 0.00 H new ATOM 0 HB ILE A 76 13.044 0.571 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 76 15.416 1.970 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.591 0.662 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.570 1.699 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.808 2.590 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.315 3.196 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.623 -0.206 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.199 -0.816 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.021 0.512 -1.158 1.00 0.00 H new ATOM 1166 N LEU A 77 12.892 4.534 2.365 1.00 0.00 N ATOM 1167 CA LEU A 77 11.806 5.532 2.504 1.00 0.00 C ATOM 1168 C LEU A 77 10.522 5.010 1.872 1.00 0.00 C ATOM 1169 O LEU A 77 10.378 5.018 0.658 1.00 0.00 O ATOM 1170 CB LEU A 77 12.228 6.819 1.776 1.00 0.00 C ATOM 1171 CG LEU A 77 13.491 7.384 2.424 1.00 0.00 C ATOM 1172 CD1 LEU A 77 13.936 8.626 1.647 1.00 0.00 C ATOM 1173 CD2 LEU A 77 13.184 7.775 3.873 1.00 0.00 C ATOM 0 H LEU A 77 13.756 4.877 1.945 1.00 0.00 H new ATOM 0 HA LEU A 77 11.629 5.725 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.410 6.609 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.424 7.554 1.820 1.00 0.00 H new ATOM 0 HG LEU A 77 14.283 6.635 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.837 9.037 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.144 8.353 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.144 9.374 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.083 8.179 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.398 8.530 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.853 6.895 4.425 1.00 0.00 H new ATOM 1185 N GLU A 78 9.620 4.550 2.695 1.00 0.00 N ATOM 1186 CA GLU A 78 8.345 4.027 2.159 1.00 0.00 C ATOM 1187 C GLU A 78 7.692 5.074 1.266 1.00 0.00 C ATOM 1188 O GLU A 78 7.910 6.260 1.436 1.00 0.00 O ATOM 1189 CB GLU A 78 7.415 3.710 3.342 1.00 0.00 C ATOM 1190 CG GLU A 78 8.072 2.630 4.227 1.00 0.00 C ATOM 1191 CD GLU A 78 8.661 3.263 5.504 1.00 0.00 C ATOM 1192 OE1 GLU A 78 9.077 4.409 5.409 1.00 0.00 O ATOM 1193 OE2 GLU A 78 8.666 2.557 6.501 1.00 0.00 O ATOM 0 H GLU A 78 9.715 4.516 3.710 1.00 0.00 H new ATOM 0 HA GLU A 78 8.529 3.128 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.228 4.612 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.449 3.361 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.335 1.874 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.859 2.123 3.669 1.00 0.00 H new ATOM 1200 N CYS A 79 6.909 4.628 0.333 1.00 0.00 N ATOM 1201 CA CYS A 79 6.244 5.592 -0.574 1.00 0.00 C ATOM 1202 C CYS A 79 5.236 4.889 -1.482 1.00 0.00 C ATOM 1203 O CYS A 79 5.265 3.666 -1.488 1.00 0.00 O ATOM 1204 CB CYS A 79 7.339 6.217 -1.446 1.00 0.00 C ATOM 1205 SG CYS A 79 7.297 8.002 -1.730 1.00 0.00 S ATOM 1206 OXT CYS A 79 4.501 5.611 -2.129 1.00 0.00 O ATOM 0 H CYS A 79 6.701 3.645 0.159 1.00 0.00 H new ATOM 0 HA CYS A 79 5.709 6.340 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.301 5.975 -0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 79 7.310 5.725 -2.418 1.00 0.00 H new TER 1211 CYS A 79