USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=27 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 -84:sc= -2.17! USER MOD Set 1.2: A 69 LYS NZ :NH3+ 167:sc= -8.97! (180deg=-8.8!) USER MOD Set 2.1: A 58 GLN : amide:sc= -1.01 X(o=0.23,f=0.62) USER MOD Set 2.2: A 73 TYR OH : rot -29:sc= 1.24 USER MOD Set 3.1: A 5 ASN : amide:sc= -1.28! C(o=0.94!,f=-13!) USER MOD Set 3.2: A 9 TYR OH : rot 74:sc= 2.22 USER MOD Single : A 1 CYS N :NH3+ 140:sc= -4.85! (180deg=-8.09!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -98:sc= 1.21 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.22 K(o=-1.2,f=-1.8) USER MOD Single : A 12 THR OG1 : rot -152:sc= 0.133 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -105:sc= -0.18! USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.245) USER MOD Single : A 16 THR OG1 : rot -120:sc= -2.25! USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.936) USER MOD Single : A 18 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 23 GLN :FLIP amide:sc= -25.1! C(o=-28!,f=-25!) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.0259 (180deg=-0.165) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.25 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -4.61! C(o=-5.9!,f=-4.6!) USER MOD Single : A 36 SER OG : rot 81:sc= 1.05 USER MOD Single : A 39 THR OG1 : rot -67:sc= 1.15 USER MOD Single : A 40 HIS : no HD1:sc= -7.81! C(o=-7.8!,f=-10!) USER MOD Single : A 42 SER OG : rot 18:sc= 2.31! USER MOD Single : A 48 ASN :FLIP amide:sc= -5.42! C(o=-13!,f=-5.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.475 K(o=-0.47,f=-3!) USER MOD Single : A 55 ASN : amide:sc= 0.0403 K(o=0.04,f=-3!) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.379 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.480 -0.425 -1.289 1.00 0.00 N ATOM 2 CA CYS A 1 9.429 0.428 -1.888 1.00 0.00 C ATOM 3 C CYS A 1 9.738 0.625 -3.363 1.00 0.00 C ATOM 4 O CYS A 1 10.186 -0.290 -4.019 1.00 0.00 O ATOM 5 CB CYS A 1 9.360 1.802 -1.163 1.00 0.00 C ATOM 6 SG CYS A 1 10.294 3.192 -1.855 1.00 0.00 S ATOM 0 H1 CYS A 1 10.721 -0.067 -0.343 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.132 -1.402 -1.211 1.00 0.00 H new ATOM 0 H3 CYS A 1 11.327 -0.407 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 1 8.460 -0.059 -1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 1 8.312 2.098 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 1 9.698 1.653 -0.137 1.00 0.00 H new ATOM 13 N LYS A 2 9.520 1.801 -3.855 1.00 0.00 N ATOM 14 CA LYS A 2 9.804 2.050 -5.296 1.00 0.00 C ATOM 15 C LYS A 2 10.807 3.160 -5.501 1.00 0.00 C ATOM 16 O LYS A 2 10.951 3.668 -6.596 1.00 0.00 O ATOM 17 CB LYS A 2 8.492 2.424 -6.007 1.00 0.00 C ATOM 18 CG LYS A 2 7.536 3.090 -5.003 1.00 0.00 C ATOM 19 CD LYS A 2 6.106 3.066 -5.552 1.00 0.00 C ATOM 20 CE LYS A 2 5.138 3.254 -4.383 1.00 0.00 C ATOM 21 NZ LYS A 2 3.835 3.796 -4.854 1.00 0.00 N ATOM 0 H LYS A 2 9.160 2.600 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 2 10.231 1.137 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.696 3.102 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.029 1.533 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.577 2.568 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.847 4.118 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.969 3.857 -6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.910 2.121 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.979 2.300 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.575 3.932 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.195 3.915 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.987 4.717 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.410 3.136 -5.536 1.00 0.00 H new ATOM 35 N THR A 3 11.480 3.520 -4.459 1.00 0.00 N ATOM 36 CA THR A 3 12.484 4.601 -4.589 1.00 0.00 C ATOM 37 C THR A 3 13.667 4.053 -5.359 1.00 0.00 C ATOM 38 O THR A 3 14.699 3.788 -4.813 1.00 0.00 O ATOM 39 CB THR A 3 12.945 5.031 -3.194 1.00 0.00 C ATOM 40 OG1 THR A 3 13.022 3.835 -2.448 1.00 0.00 O ATOM 41 CG2 THR A 3 11.863 5.859 -2.486 1.00 0.00 C ATOM 0 H THR A 3 11.382 3.118 -3.527 1.00 0.00 H new ATOM 0 HA THR A 3 12.056 5.459 -5.108 1.00 0.00 H new ATOM 0 HB THR A 3 13.870 5.603 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.207 3.729 -1.915 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.217 6.151 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.646 6.752 -3.072 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.956 5.263 -2.385 1.00 0.00 H new ATOM 49 N GLY A 4 13.466 3.872 -6.620 1.00 0.00 N ATOM 50 CA GLY A 4 14.536 3.341 -7.481 1.00 0.00 C ATOM 51 C GLY A 4 13.927 2.913 -8.791 1.00 0.00 C ATOM 52 O GLY A 4 14.512 3.083 -9.836 1.00 0.00 O ATOM 0 H GLY A 4 12.589 4.073 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.300 4.101 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.027 2.496 -6.998 1.00 0.00 H new ATOM 56 N ASN A 5 12.742 2.370 -8.702 1.00 0.00 N ATOM 57 CA ASN A 5 12.051 1.918 -9.935 1.00 0.00 C ATOM 58 C ASN A 5 11.959 3.101 -10.877 1.00 0.00 C ATOM 59 O ASN A 5 11.857 2.957 -12.072 1.00 0.00 O ATOM 60 CB ASN A 5 10.615 1.443 -9.579 1.00 0.00 C ATOM 61 CG ASN A 5 10.644 0.526 -8.352 1.00 0.00 C ATOM 62 OD1 ASN A 5 11.368 0.752 -7.414 1.00 0.00 O ATOM 63 ND2 ASN A 5 9.859 -0.509 -8.315 1.00 0.00 N ATOM 0 H ASN A 5 12.229 2.222 -7.833 1.00 0.00 H new ATOM 0 HA ASN A 5 12.598 1.096 -10.397 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.978 2.305 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.180 0.913 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.859 -1.120 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.242 -0.710 -9.102 1.00 0.00 H new ATOM 70 N GLY A 6 12.000 4.258 -10.280 1.00 0.00 N ATOM 71 CA GLY A 6 11.923 5.520 -11.067 1.00 0.00 C ATOM 72 C GLY A 6 12.438 6.692 -10.225 1.00 0.00 C ATOM 73 O GLY A 6 11.874 7.765 -10.250 1.00 0.00 O ATOM 0 H GLY A 6 12.084 4.385 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.515 5.428 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.893 5.706 -11.373 1.00 0.00 H new ATOM 77 N LYS A 7 13.507 6.463 -9.489 1.00 0.00 N ATOM 78 CA LYS A 7 14.055 7.564 -8.649 1.00 0.00 C ATOM 79 C LYS A 7 15.443 7.230 -8.063 1.00 0.00 C ATOM 80 O LYS A 7 16.449 7.605 -8.631 1.00 0.00 O ATOM 81 CB LYS A 7 13.061 7.848 -7.497 1.00 0.00 C ATOM 82 CG LYS A 7 12.944 9.365 -7.299 1.00 0.00 C ATOM 83 CD LYS A 7 12.170 9.643 -6.004 1.00 0.00 C ATOM 84 CE LYS A 7 12.063 11.156 -5.786 1.00 0.00 C ATOM 85 NZ LYS A 7 11.104 11.444 -4.677 1.00 0.00 N ATOM 0 H LYS A 7 14.009 5.577 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 7 14.181 8.441 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.085 7.422 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.405 7.374 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.935 9.815 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.431 9.817 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.175 9.202 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.677 9.178 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.043 11.568 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.729 11.641 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.036 12.472 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.167 11.066 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.441 10.995 -3.802 1.00 0.00 H new ATOM 99 N ASN A 8 15.475 6.521 -6.951 1.00 0.00 N ATOM 100 CA ASN A 8 16.809 6.171 -6.334 1.00 0.00 C ATOM 101 C ASN A 8 16.626 5.421 -5.010 1.00 0.00 C ATOM 102 O ASN A 8 15.923 5.883 -4.134 1.00 0.00 O ATOM 103 CB ASN A 8 17.570 7.484 -6.047 1.00 0.00 C ATOM 104 CG ASN A 8 16.609 8.508 -5.437 1.00 0.00 C ATOM 105 OD1 ASN A 8 16.105 9.378 -6.106 1.00 0.00 O ATOM 106 ND2 ASN A 8 16.324 8.437 -4.175 1.00 0.00 N ATOM 0 H ASN A 8 14.656 6.175 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 8 17.358 5.532 -7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 8 18.398 7.295 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.000 7.877 -6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.681 9.111 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.742 7.707 -3.598 1.00 0.00 H new ATOM 113 N TYR A 9 17.283 4.291 -4.881 1.00 0.00 N ATOM 114 CA TYR A 9 17.157 3.491 -3.612 1.00 0.00 C ATOM 115 C TYR A 9 18.049 4.015 -2.475 1.00 0.00 C ATOM 116 O TYR A 9 18.865 4.894 -2.666 1.00 0.00 O ATOM 117 CB TYR A 9 17.574 2.045 -3.918 1.00 0.00 C ATOM 118 CG TYR A 9 16.478 1.344 -4.734 1.00 0.00 C ATOM 119 CD1 TYR A 9 15.169 1.290 -4.279 1.00 0.00 C ATOM 120 CD2 TYR A 9 16.783 0.761 -5.944 1.00 0.00 C ATOM 121 CE1 TYR A 9 14.196 0.666 -5.027 1.00 0.00 C ATOM 122 CE2 TYR A 9 15.805 0.138 -6.687 1.00 0.00 C ATOM 123 CZ TYR A 9 14.508 0.089 -6.235 1.00 0.00 C ATOM 124 OH TYR A 9 13.536 -0.515 -6.988 1.00 0.00 O ATOM 0 H TYR A 9 17.896 3.889 -5.590 1.00 0.00 H new ATOM 0 HA TYR A 9 16.122 3.568 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.512 2.038 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 9 17.749 1.504 -2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.911 1.740 -3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 9 17.797 0.793 -6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 9 13.180 0.630 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 9 16.060 -0.316 -7.633 1.00 0.00 H new ATOM 0 HH TYR A 9 12.969 0.170 -7.400 1.00 0.00 H new ATOM 134 N ARG A 10 17.859 3.438 -1.301 1.00 0.00 N ATOM 135 CA ARG A 10 18.666 3.861 -0.117 1.00 0.00 C ATOM 136 C ARG A 10 18.797 2.724 0.919 1.00 0.00 C ATOM 137 O ARG A 10 19.854 2.151 1.077 1.00 0.00 O ATOM 138 CB ARG A 10 17.959 5.058 0.545 1.00 0.00 C ATOM 139 CG ARG A 10 18.755 6.333 0.257 1.00 0.00 C ATOM 140 CD ARG A 10 17.916 7.546 0.643 1.00 0.00 C ATOM 141 NE ARG A 10 18.813 8.731 0.752 1.00 0.00 N ATOM 142 CZ ARG A 10 18.463 9.720 1.495 1.00 0.00 C ATOM 143 NH1 ARG A 10 18.493 9.571 2.768 1.00 0.00 N ATOM 144 NH2 ARG A 10 18.091 10.813 0.932 1.00 0.00 N ATOM 0 H ARG A 10 17.182 2.697 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 10 19.668 4.126 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.943 5.154 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.879 4.900 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.689 6.328 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.019 6.380 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.143 7.724 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.408 7.368 1.591 1.00 0.00 H new ATOM 0 HE ARG A 10 19.696 8.757 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.790 8.682 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.220 10.341 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.077 10.884 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.809 11.610 1.502 1.00 0.00 H new ATOM 158 N GLY A 11 17.715 2.418 1.601 1.00 0.00 N ATOM 159 CA GLY A 11 17.763 1.312 2.636 1.00 0.00 C ATOM 160 C GLY A 11 18.250 -0.015 2.027 1.00 0.00 C ATOM 161 O GLY A 11 18.596 -0.937 2.739 1.00 0.00 O ATOM 0 H GLY A 11 16.809 2.875 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.426 1.604 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.771 1.173 3.067 1.00 0.00 H new ATOM 165 N THR A 12 18.275 -0.079 0.718 1.00 0.00 N ATOM 166 CA THR A 12 18.735 -1.335 0.049 1.00 0.00 C ATOM 167 C THR A 12 20.159 -1.684 0.406 1.00 0.00 C ATOM 168 O THR A 12 20.620 -2.746 0.050 1.00 0.00 O ATOM 169 CB THR A 12 18.648 -1.171 -1.464 1.00 0.00 C ATOM 170 OG1 THR A 12 18.924 -2.449 -1.971 1.00 0.00 O ATOM 171 CG2 THR A 12 19.780 -0.288 -2.009 1.00 0.00 C ATOM 0 H THR A 12 18.000 0.676 0.090 1.00 0.00 H new ATOM 0 HA THR A 12 18.085 -2.139 0.395 1.00 0.00 H new ATOM 0 HB THR A 12 17.684 -0.739 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.315 -2.368 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.681 -0.197 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.721 0.701 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.742 -0.741 -1.769 1.00 0.00 H new ATOM 179 N MET A 13 20.840 -0.795 1.092 1.00 0.00 N ATOM 180 CA MET A 13 22.247 -1.095 1.467 1.00 0.00 C ATOM 181 C MET A 13 22.390 -2.569 1.764 1.00 0.00 C ATOM 182 O MET A 13 23.256 -3.235 1.229 1.00 0.00 O ATOM 183 CB MET A 13 22.607 -0.288 2.730 1.00 0.00 C ATOM 184 CG MET A 13 22.847 1.178 2.351 1.00 0.00 C ATOM 185 SD MET A 13 23.944 2.143 3.423 1.00 0.00 S ATOM 186 CE MET A 13 24.888 2.971 2.116 1.00 0.00 C ATOM 0 H MET A 13 20.484 0.109 1.401 1.00 0.00 H new ATOM 0 HA MET A 13 22.911 -0.826 0.646 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.801 -0.358 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.499 -0.704 3.198 1.00 0.00 H new ATOM 0 HG2 MET A 13 23.255 1.203 1.340 1.00 0.00 H new ATOM 0 HG3 MET A 13 21.880 1.681 2.317 1.00 0.00 H new ATOM 0 HE1 MET A 13 25.634 3.627 2.565 1.00 0.00 H new ATOM 0 HE2 MET A 13 25.387 2.224 1.498 1.00 0.00 H new ATOM 0 HE3 MET A 13 24.212 3.561 1.497 1.00 0.00 H new ATOM 196 N SER A 14 21.505 -3.025 2.603 1.00 0.00 N ATOM 197 CA SER A 14 21.478 -4.467 3.027 1.00 0.00 C ATOM 198 C SER A 14 20.907 -4.601 4.447 1.00 0.00 C ATOM 199 O SER A 14 21.507 -5.213 5.312 1.00 0.00 O ATOM 200 CB SER A 14 22.911 -5.049 3.001 1.00 0.00 C ATOM 201 OG SER A 14 23.751 -3.981 3.446 1.00 0.00 O ATOM 0 H SER A 14 20.777 -2.450 3.028 1.00 0.00 H new ATOM 0 HA SER A 14 20.843 -5.017 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.997 -5.917 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.186 -5.376 1.998 1.00 0.00 H new ATOM 0 HG SER A 14 24.231 -3.601 2.680 1.00 0.00 H new ATOM 207 N LYS A 15 19.741 -4.034 4.654 1.00 0.00 N ATOM 208 CA LYS A 15 19.103 -4.109 6.009 1.00 0.00 C ATOM 209 C LYS A 15 17.628 -4.552 5.917 1.00 0.00 C ATOM 210 O LYS A 15 16.932 -4.188 4.999 1.00 0.00 O ATOM 211 CB LYS A 15 19.116 -2.697 6.596 1.00 0.00 C ATOM 212 CG LYS A 15 20.488 -2.380 7.178 1.00 0.00 C ATOM 213 CD LYS A 15 20.625 -0.850 7.280 1.00 0.00 C ATOM 214 CE LYS A 15 21.494 -0.494 8.479 1.00 0.00 C ATOM 215 NZ LYS A 15 22.817 -1.161 8.360 1.00 0.00 N ATOM 0 H LYS A 15 19.207 -3.526 3.949 1.00 0.00 H new ATOM 0 HA LYS A 15 19.651 -4.829 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.865 -1.972 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.355 -2.611 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.599 -2.838 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.274 -2.791 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.068 -0.453 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.641 -0.393 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.625 0.587 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.002 -0.804 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.486 -0.726 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.717 -2.173 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.175 -1.051 7.390 1.00 0.00 H new ATOM 229 N THR A 16 17.176 -5.317 6.884 1.00 0.00 N ATOM 230 CA THR A 16 15.756 -5.774 6.845 1.00 0.00 C ATOM 231 C THR A 16 14.830 -4.854 7.686 1.00 0.00 C ATOM 232 O THR A 16 15.140 -4.499 8.815 1.00 0.00 O ATOM 233 CB THR A 16 15.680 -7.220 7.361 1.00 0.00 C ATOM 234 OG1 THR A 16 17.013 -7.710 7.380 1.00 0.00 O ATOM 235 CG2 THR A 16 14.994 -8.118 6.340 1.00 0.00 C ATOM 0 H THR A 16 17.721 -5.638 7.684 1.00 0.00 H new ATOM 0 HA THR A 16 15.407 -5.726 5.814 1.00 0.00 H new ATOM 0 HB THR A 16 15.161 -7.226 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.082 -8.493 6.795 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.950 -9.137 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.983 -7.755 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.558 -8.105 5.407 1.00 0.00 H new ATOM 243 N LYS A 17 13.704 -4.527 7.069 1.00 0.00 N ATOM 244 CA LYS A 17 12.629 -3.636 7.667 1.00 0.00 C ATOM 245 C LYS A 17 13.105 -2.749 8.834 1.00 0.00 C ATOM 246 O LYS A 17 12.361 -2.517 9.764 1.00 0.00 O ATOM 247 CB LYS A 17 11.418 -4.502 8.123 1.00 0.00 C ATOM 248 CG LYS A 17 10.189 -3.577 8.280 1.00 0.00 C ATOM 249 CD LYS A 17 9.150 -4.251 9.177 1.00 0.00 C ATOM 250 CE LYS A 17 9.468 -3.947 10.640 1.00 0.00 C ATOM 251 NZ LYS A 17 9.413 -5.203 11.441 1.00 0.00 N ATOM 0 H LYS A 17 13.476 -4.857 6.131 1.00 0.00 H new ATOM 0 HA LYS A 17 12.340 -2.949 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.214 -5.284 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.641 -5.000 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.492 -2.623 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.756 -3.362 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.151 -3.892 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.153 -5.328 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.457 -3.497 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.755 -3.222 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.838 -5.038 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.422 -5.497 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.940 -5.952 10.948 1.00 0.00 H new ATOM 265 N ASN A 18 14.326 -2.247 8.741 1.00 0.00 N ATOM 266 CA ASN A 18 14.881 -1.363 9.838 1.00 0.00 C ATOM 267 C ASN A 18 16.398 -1.278 9.773 1.00 0.00 C ATOM 268 O ASN A 18 16.965 -0.238 9.537 1.00 0.00 O ATOM 269 CB ASN A 18 14.587 -1.971 11.203 1.00 0.00 C ATOM 270 CG ASN A 18 14.486 -0.857 12.251 1.00 0.00 C ATOM 271 OD1 ASN A 18 14.237 0.285 11.939 1.00 0.00 O ATOM 272 ND2 ASN A 18 14.672 -1.146 13.500 1.00 0.00 N ATOM 0 H ASN A 18 14.959 -2.409 7.958 1.00 0.00 H new ATOM 0 HA ASN A 18 14.419 -0.385 9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.656 -2.536 11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.375 -2.672 11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.608 -0.414 14.208 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.883 -2.105 13.776 1.00 0.00 H new ATOM 279 N GLY A 19 17.022 -2.399 10.020 1.00 0.00 N ATOM 280 CA GLY A 19 18.488 -2.444 9.991 1.00 0.00 C ATOM 281 C GLY A 19 19.023 -3.875 10.176 1.00 0.00 C ATOM 282 O GLY A 19 20.203 -4.061 10.389 1.00 0.00 O ATOM 0 H GLY A 19 16.565 -3.284 10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.845 -2.043 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.886 -1.803 10.778 1.00 0.00 H new ATOM 286 N ILE A 20 18.153 -4.860 10.093 1.00 0.00 N ATOM 287 CA ILE A 20 18.627 -6.261 10.267 1.00 0.00 C ATOM 288 C ILE A 20 19.580 -6.616 9.135 1.00 0.00 C ATOM 289 O ILE A 20 19.184 -6.672 7.990 1.00 0.00 O ATOM 290 CB ILE A 20 17.407 -7.192 10.214 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.589 -7.060 11.494 1.00 0.00 C ATOM 292 CG2 ILE A 20 17.876 -8.664 10.086 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.624 -8.248 11.599 1.00 0.00 C ATOM 0 H ILE A 20 17.155 -4.751 9.915 1.00 0.00 H new ATOM 0 HA ILE A 20 19.145 -6.369 11.220 1.00 0.00 H new ATOM 0 HB ILE A 20 16.798 -6.913 9.354 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.249 -7.034 12.361 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.032 -6.123 11.489 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.007 -9.321 10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.459 -8.782 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.492 -8.926 10.946 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.036 -8.159 12.513 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.957 -8.252 10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.193 -9.178 11.622 1.00 0.00 H new ATOM 305 N THR A 21 20.829 -6.819 9.453 1.00 0.00 N ATOM 306 CA THR A 21 21.788 -7.166 8.389 1.00 0.00 C ATOM 307 C THR A 21 21.214 -8.251 7.480 1.00 0.00 C ATOM 308 O THR A 21 20.918 -9.340 7.929 1.00 0.00 O ATOM 309 CB THR A 21 23.081 -7.678 9.031 1.00 0.00 C ATOM 310 OG1 THR A 21 23.229 -6.945 10.236 1.00 0.00 O ATOM 311 CG2 THR A 21 24.285 -7.266 8.192 1.00 0.00 C ATOM 0 H THR A 21 21.216 -6.759 10.395 1.00 0.00 H new ATOM 0 HA THR A 21 21.988 -6.278 7.790 1.00 0.00 H new ATOM 0 HB THR A 21 23.033 -8.761 9.147 1.00 0.00 H new ATOM 0 HG1 THR A 21 24.045 -7.233 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.198 -7.636 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.193 -7.688 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.327 -6.179 8.125 1.00 0.00 H new ATOM 319 N CYS A 22 21.055 -7.916 6.219 1.00 0.00 N ATOM 320 CA CYS A 22 20.496 -8.903 5.236 1.00 0.00 C ATOM 321 C CYS A 22 21.442 -10.131 5.002 1.00 0.00 C ATOM 322 O CYS A 22 21.908 -10.722 5.955 1.00 0.00 O ATOM 323 CB CYS A 22 20.210 -8.142 3.921 1.00 0.00 C ATOM 324 SG CYS A 22 18.515 -7.576 3.653 1.00 0.00 S ATOM 0 H CYS A 22 21.288 -7.003 5.828 1.00 0.00 H new ATOM 0 HA CYS A 22 19.576 -9.329 5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.867 -7.273 3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.487 -8.789 3.088 1.00 0.00 H new ATOM 329 N GLN A 23 21.714 -10.502 3.752 1.00 0.00 N ATOM 330 CA GLN A 23 22.618 -11.688 3.522 1.00 0.00 C ATOM 331 C GLN A 23 23.404 -11.601 2.205 1.00 0.00 C ATOM 332 O GLN A 23 23.587 -10.558 1.676 1.00 0.00 O ATOM 333 CB GLN A 23 21.715 -12.912 3.451 1.00 0.00 C ATOM 334 CG GLN A 23 20.477 -12.566 2.611 1.00 0.00 C ATOM 335 CD GLN A 23 19.477 -13.731 2.684 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.490 -14.544 3.701 1.00 0.00 O flip ATOM 337 NE2 GLN A 23 18.691 -13.918 1.814 1.00 0.00 N flip ATOM 0 H GLN A 23 21.359 -10.047 2.911 1.00 0.00 H new ATOM 0 HA GLN A 23 23.349 -11.730 4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.251 -13.751 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.417 -13.220 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.015 -11.651 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 23 20.765 -12.382 1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.664 -13.293 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.043 -14.704 1.872 1.00 0.00 H new ATOM 346 N LYS A 24 23.843 -12.738 1.705 1.00 0.00 N ATOM 347 CA LYS A 24 24.619 -12.735 0.424 1.00 0.00 C ATOM 348 C LYS A 24 23.887 -13.558 -0.616 1.00 0.00 C ATOM 349 O LYS A 24 24.425 -13.914 -1.645 1.00 0.00 O ATOM 350 CB LYS A 24 25.979 -13.392 0.676 1.00 0.00 C ATOM 351 CG LYS A 24 25.990 -14.065 2.055 1.00 0.00 C ATOM 352 CD LYS A 24 26.296 -13.006 3.130 1.00 0.00 C ATOM 353 CE LYS A 24 27.763 -13.115 3.550 1.00 0.00 C ATOM 354 NZ LYS A 24 28.644 -12.505 2.510 1.00 0.00 N ATOM 0 H LYS A 24 23.698 -13.656 2.125 1.00 0.00 H new ATOM 0 HA LYS A 24 24.738 -11.710 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.185 -14.130 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.769 -12.643 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.026 -14.534 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.740 -14.856 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.091 -12.008 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.647 -13.151 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.914 -12.612 4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.030 -14.162 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.618 -12.447 2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.627 -13.093 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.302 -11.550 2.282 1.00 0.00 H new ATOM 368 N TRP A 25 22.676 -13.851 -0.287 1.00 0.00 N ATOM 369 CA TRP A 25 21.805 -14.660 -1.186 1.00 0.00 C ATOM 370 C TRP A 25 22.447 -16.017 -1.419 1.00 0.00 C ATOM 371 O TRP A 25 22.108 -16.715 -2.342 1.00 0.00 O ATOM 372 CB TRP A 25 21.616 -13.968 -2.565 1.00 0.00 C ATOM 373 CG TRP A 25 21.022 -12.539 -2.444 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.480 -11.515 -3.145 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.997 -12.161 -1.677 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.704 -10.488 -2.782 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.741 -10.806 -1.859 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.196 -12.876 -0.807 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.709 -10.192 -1.181 1.00 0.00 C ATOM 380 CZ3 TRP A 25 18.161 -12.248 -0.135 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.926 -10.913 -0.324 1.00 0.00 C ATOM 0 H TRP A 25 22.234 -13.562 0.585 1.00 0.00 H new ATOM 0 HA TRP A 25 20.832 -14.764 -0.705 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.578 -13.915 -3.075 1.00 0.00 H new ATOM 0 HB3 TRP A 25 20.960 -14.578 -3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.297 -11.510 -3.852 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.819 -9.548 -3.160 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.378 -13.929 -0.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.519 -9.139 -1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.537 -12.814 0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.119 -10.428 0.206 1.00 0.00 H new ATOM 392 N SER A 26 23.379 -16.355 -0.561 1.00 0.00 N ATOM 393 CA SER A 26 24.073 -17.655 -0.691 1.00 0.00 C ATOM 394 C SER A 26 23.045 -18.766 -0.912 1.00 0.00 C ATOM 395 O SER A 26 22.811 -19.154 -2.026 1.00 0.00 O ATOM 396 CB SER A 26 24.861 -17.891 0.617 1.00 0.00 C ATOM 397 OG SER A 26 26.219 -17.655 0.258 1.00 0.00 O ATOM 0 H SER A 26 23.683 -15.778 0.223 1.00 0.00 H new ATOM 0 HA SER A 26 24.753 -17.655 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.535 -17.213 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.719 -18.905 0.989 1.00 0.00 H new ATOM 0 HG SER A 26 26.792 -17.784 1.043 1.00 0.00 H new ATOM 403 N SER A 27 22.454 -19.249 0.153 1.00 0.00 N ATOM 404 CA SER A 27 21.424 -20.344 0.013 1.00 0.00 C ATOM 405 C SER A 27 21.105 -20.991 1.338 1.00 0.00 C ATOM 406 O SER A 27 21.591 -20.579 2.378 1.00 0.00 O ATOM 407 CB SER A 27 21.932 -21.453 -0.948 1.00 0.00 C ATOM 408 OG SER A 27 20.760 -22.207 -1.253 1.00 0.00 O ATOM 0 H SER A 27 22.633 -18.941 1.109 1.00 0.00 H new ATOM 0 HA SER A 27 20.525 -19.873 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 27 22.379 -21.028 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 27 22.694 -22.073 -0.475 1.00 0.00 H new ATOM 0 HG SER A 27 20.991 -22.937 -1.864 1.00 0.00 H new ATOM 414 N THR A 28 20.294 -22.015 1.261 1.00 0.00 N ATOM 415 CA THR A 28 19.882 -22.756 2.478 1.00 0.00 C ATOM 416 C THR A 28 21.032 -22.944 3.459 1.00 0.00 C ATOM 417 O THR A 28 20.817 -23.103 4.639 1.00 0.00 O ATOM 418 CB THR A 28 19.398 -24.142 2.067 1.00 0.00 C ATOM 419 OG1 THR A 28 18.313 -23.928 1.177 1.00 0.00 O ATOM 420 CG2 THR A 28 18.783 -24.847 3.276 1.00 0.00 C ATOM 0 H THR A 28 19.897 -22.370 0.391 1.00 0.00 H new ATOM 0 HA THR A 28 19.100 -22.174 2.966 1.00 0.00 H new ATOM 0 HB THR A 28 20.220 -24.722 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.961 -24.792 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.437 -25.838 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.533 -24.943 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.940 -24.264 3.647 1.00 0.00 H new ATOM 428 N SER A 29 22.231 -22.928 2.954 1.00 0.00 N ATOM 429 CA SER A 29 23.397 -23.105 3.852 1.00 0.00 C ATOM 430 C SER A 29 24.379 -21.922 3.756 1.00 0.00 C ATOM 431 O SER A 29 24.772 -21.516 2.675 1.00 0.00 O ATOM 432 CB SER A 29 24.119 -24.381 3.424 1.00 0.00 C ATOM 433 OG SER A 29 25.102 -24.565 4.427 1.00 0.00 O ATOM 0 H SER A 29 22.451 -22.801 1.966 1.00 0.00 H new ATOM 0 HA SER A 29 23.045 -23.161 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.436 -25.229 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.569 -24.274 2.437 1.00 0.00 H new ATOM 0 HG SER A 29 25.620 -25.374 4.233 1.00 0.00 H new ATOM 439 N PRO A 30 24.738 -21.369 4.909 1.00 0.00 N ATOM 440 CA PRO A 30 24.226 -21.825 6.216 1.00 0.00 C ATOM 441 C PRO A 30 22.733 -21.520 6.360 1.00 0.00 C ATOM 442 O PRO A 30 22.053 -22.096 7.182 1.00 0.00 O ATOM 443 CB PRO A 30 25.029 -21.013 7.254 1.00 0.00 C ATOM 444 CG PRO A 30 25.945 -20.026 6.468 1.00 0.00 C ATOM 445 CD PRO A 30 25.715 -20.280 4.968 1.00 0.00 C ATOM 0 HA PRO A 30 24.339 -22.902 6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 30 24.358 -20.468 7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.627 -21.675 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.705 -18.994 6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 30 26.992 -20.184 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 30 25.339 -19.386 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 30 26.644 -20.556 4.468 1.00 0.00 H new ATOM 453 N HIS A 31 22.272 -20.613 5.541 1.00 0.00 N ATOM 454 CA HIS A 31 20.834 -20.217 5.569 1.00 0.00 C ATOM 455 C HIS A 31 20.565 -19.025 4.652 1.00 0.00 C ATOM 456 O HIS A 31 20.995 -17.926 4.935 1.00 0.00 O ATOM 457 CB HIS A 31 20.417 -19.807 6.982 1.00 0.00 C ATOM 458 CG HIS A 31 18.919 -19.491 6.939 1.00 0.00 C ATOM 459 ND1 HIS A 31 18.237 -18.541 6.197 1.00 0.00 N flip ATOM 460 CD2 HIS A 31 18.039 -20.108 7.568 1.00 0.00 C flip ATOM 461 CE1 HIS A 31 16.914 -18.651 6.438 1.00 0.00 C flip ATOM 462 NE2 HIS A 31 16.880 -19.654 7.303 1.00 0.00 N flip ATOM 0 H HIS A 31 22.837 -20.124 4.846 1.00 0.00 H new ATOM 0 HA HIS A 31 20.264 -21.083 5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.621 -20.609 7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 31 20.984 -18.937 7.313 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.234 -20.923 8.250 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.097 -18.073 6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.020 -20.021 7.711 1.00 0.00 H new ATOM 470 N ARG A 32 19.851 -19.266 3.575 1.00 0.00 N ATOM 471 CA ARG A 32 19.531 -18.164 2.615 1.00 0.00 C ATOM 472 C ARG A 32 18.619 -18.692 1.481 1.00 0.00 C ATOM 473 O ARG A 32 18.720 -19.833 1.081 1.00 0.00 O ATOM 474 CB ARG A 32 20.852 -17.623 2.013 1.00 0.00 C ATOM 475 CG ARG A 32 21.235 -16.300 2.696 1.00 0.00 C ATOM 476 CD ARG A 32 22.757 -16.215 2.832 1.00 0.00 C ATOM 477 NE ARG A 32 23.275 -17.455 3.500 1.00 0.00 N ATOM 478 CZ ARG A 32 24.016 -17.348 4.540 1.00 0.00 C ATOM 479 NH1 ARG A 32 25.259 -17.081 4.390 1.00 0.00 N ATOM 480 NH2 ARG A 32 23.490 -17.517 5.693 1.00 0.00 N ATOM 0 H ARG A 32 19.477 -20.180 3.321 1.00 0.00 H new ATOM 0 HA ARG A 32 19.008 -17.365 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.649 -18.355 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.737 -17.468 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 32 20.864 -15.457 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.768 -16.238 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.214 -16.102 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 32 23.031 -15.335 3.414 1.00 0.00 H new ATOM 0 HE ARG A 32 23.039 -18.375 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.645 -16.957 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.864 -16.992 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.496 -17.733 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.064 -17.436 6.532 1.00 0.00 H new ATOM 494 N PRO A 33 17.739 -17.836 0.996 1.00 0.00 N ATOM 495 CA PRO A 33 16.803 -18.200 -0.086 1.00 0.00 C ATOM 496 C PRO A 33 17.500 -18.370 -1.449 1.00 0.00 C ATOM 497 O PRO A 33 18.630 -17.968 -1.634 1.00 0.00 O ATOM 498 CB PRO A 33 15.827 -17.002 -0.164 1.00 0.00 C ATOM 499 CG PRO A 33 16.408 -15.872 0.734 1.00 0.00 C ATOM 500 CD PRO A 33 17.612 -16.462 1.490 1.00 0.00 C ATOM 0 HA PRO A 33 16.324 -19.156 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.721 -16.659 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.834 -17.293 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 33 16.715 -15.019 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.654 -15.511 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.518 -15.888 1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 33 17.448 -16.444 2.567 1.00 0.00 H new ATOM 508 N ARG A 34 16.786 -18.966 -2.379 1.00 0.00 N ATOM 509 CA ARG A 34 17.356 -19.190 -3.747 1.00 0.00 C ATOM 510 C ARG A 34 16.691 -18.223 -4.732 1.00 0.00 C ATOM 511 O ARG A 34 16.390 -18.559 -5.865 1.00 0.00 O ATOM 512 CB ARG A 34 17.078 -20.651 -4.185 1.00 0.00 C ATOM 513 CG ARG A 34 15.827 -21.195 -3.471 1.00 0.00 C ATOM 514 CD ARG A 34 16.242 -21.839 -2.144 1.00 0.00 C ATOM 515 NE ARG A 34 15.028 -22.409 -1.482 1.00 0.00 N ATOM 516 CZ ARG A 34 14.913 -23.684 -1.350 1.00 0.00 C ATOM 517 NH1 ARG A 34 15.632 -24.288 -0.466 1.00 0.00 N ATOM 518 NH2 ARG A 34 14.077 -24.310 -2.102 1.00 0.00 N ATOM 0 H ARG A 34 15.833 -19.306 -2.248 1.00 0.00 H new ATOM 0 HA ARG A 34 18.432 -19.015 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.936 -20.693 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.939 -21.278 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.117 -20.388 -3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.323 -21.927 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.979 -22.623 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.712 -21.099 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 34 14.295 -21.790 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.279 -23.756 0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.553 -25.298 -0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.522 -23.796 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.970 -25.321 -2.014 1.00 0.00 H new ATOM 532 N PHE A 35 16.476 -17.039 -4.248 1.00 0.00 N ATOM 533 CA PHE A 35 15.836 -15.974 -5.070 1.00 0.00 C ATOM 534 C PHE A 35 16.625 -15.677 -6.357 1.00 0.00 C ATOM 535 O PHE A 35 17.827 -15.833 -6.392 1.00 0.00 O ATOM 536 CB PHE A 35 15.819 -14.713 -4.205 1.00 0.00 C ATOM 537 CG PHE A 35 14.783 -13.723 -4.723 1.00 0.00 C ATOM 538 CD1 PHE A 35 13.464 -13.805 -4.315 1.00 0.00 C ATOM 539 CD2 PHE A 35 15.168 -12.687 -5.549 1.00 0.00 C ATOM 540 CE1 PHE A 35 12.552 -12.858 -4.724 1.00 0.00 C ATOM 541 CE2 PHE A 35 14.256 -11.743 -5.956 1.00 0.00 C ATOM 542 CZ PHE A 35 12.954 -11.824 -5.544 1.00 0.00 C ATOM 0 H PHE A 35 16.720 -16.755 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 35 14.840 -16.298 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.593 -14.977 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.806 -14.250 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.148 -14.614 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.194 -12.617 -5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.523 -12.925 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 35 14.568 -10.936 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.240 -11.078 -5.861 1.00 0.00 H new ATOM 552 N SER A 36 15.897 -15.217 -7.373 1.00 0.00 N ATOM 553 CA SER A 36 16.522 -14.871 -8.723 1.00 0.00 C ATOM 554 C SER A 36 15.639 -15.216 -9.981 1.00 0.00 C ATOM 555 O SER A 36 16.113 -15.079 -11.092 1.00 0.00 O ATOM 556 CB SER A 36 17.853 -15.639 -8.905 1.00 0.00 C ATOM 557 OG SER A 36 18.845 -14.750 -8.416 1.00 0.00 O ATOM 0 H SER A 36 14.890 -15.065 -7.326 1.00 0.00 H new ATOM 0 HA SER A 36 16.648 -13.789 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.850 -16.576 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.026 -15.891 -9.951 1.00 0.00 H new ATOM 0 HG SER A 36 18.879 -14.804 -7.438 1.00 0.00 H new ATOM 563 N PRO A 37 14.392 -15.660 -9.805 1.00 0.00 N ATOM 564 CA PRO A 37 13.535 -15.995 -10.965 1.00 0.00 C ATOM 565 C PRO A 37 13.322 -14.797 -11.913 1.00 0.00 C ATOM 566 O PRO A 37 13.110 -13.681 -11.481 1.00 0.00 O ATOM 567 CB PRO A 37 12.194 -16.427 -10.340 1.00 0.00 C ATOM 568 CG PRO A 37 12.416 -16.514 -8.803 1.00 0.00 C ATOM 569 CD PRO A 37 13.763 -15.869 -8.498 1.00 0.00 C ATOM 0 HA PRO A 37 13.995 -16.769 -11.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.409 -15.708 -10.576 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.875 -17.390 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.616 -16.001 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.404 -17.552 -8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.637 -14.926 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.374 -16.513 -7.865 1.00 0.00 H new ATOM 577 N ALA A 38 13.377 -15.072 -13.199 1.00 0.00 N ATOM 578 CA ALA A 38 13.185 -13.983 -14.211 1.00 0.00 C ATOM 579 C ALA A 38 11.722 -13.508 -14.280 1.00 0.00 C ATOM 580 O ALA A 38 11.436 -12.469 -14.833 1.00 0.00 O ATOM 581 CB ALA A 38 13.600 -14.536 -15.587 1.00 0.00 C ATOM 0 H ALA A 38 13.546 -16.000 -13.588 1.00 0.00 H new ATOM 0 HA ALA A 38 13.794 -13.127 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.470 -13.763 -16.344 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.646 -14.841 -15.556 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.978 -15.396 -15.836 1.00 0.00 H new ATOM 587 N THR A 39 10.830 -14.275 -13.706 1.00 0.00 N ATOM 588 CA THR A 39 9.387 -13.892 -13.724 1.00 0.00 C ATOM 589 C THR A 39 9.129 -12.846 -12.645 1.00 0.00 C ATOM 590 O THR A 39 8.080 -12.799 -12.029 1.00 0.00 O ATOM 591 CB THR A 39 8.542 -15.152 -13.440 1.00 0.00 C ATOM 592 OG1 THR A 39 7.197 -14.716 -13.424 1.00 0.00 O ATOM 593 CG2 THR A 39 8.788 -15.684 -12.019 1.00 0.00 C ATOM 0 H THR A 39 11.039 -15.150 -13.226 1.00 0.00 H new ATOM 0 HA THR A 39 9.119 -13.476 -14.695 1.00 0.00 H new ATOM 0 HB THR A 39 8.781 -15.917 -14.179 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.054 -14.124 -12.657 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.178 -16.571 -11.852 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.841 -15.941 -11.904 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.520 -14.917 -11.292 1.00 0.00 H new ATOM 601 N HIS A 40 10.118 -12.038 -12.439 1.00 0.00 N ATOM 602 CA HIS A 40 10.024 -10.963 -11.419 1.00 0.00 C ATOM 603 C HIS A 40 9.805 -9.575 -12.042 1.00 0.00 C ATOM 604 O HIS A 40 10.260 -9.300 -13.135 1.00 0.00 O ATOM 605 CB HIS A 40 11.349 -10.968 -10.690 1.00 0.00 C ATOM 606 CG HIS A 40 11.287 -12.033 -9.616 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.587 -13.070 -9.665 1.00 0.00 N ATOM 608 CD2 HIS A 40 11.924 -12.076 -8.425 1.00 0.00 C ATOM 609 CE1 HIS A 40 10.723 -13.763 -8.614 1.00 0.00 C ATOM 610 NE2 HIS A 40 11.567 -13.204 -7.755 1.00 0.00 N ATOM 0 H HIS A 40 11.005 -12.074 -12.941 1.00 0.00 H new ATOM 0 HA HIS A 40 9.172 -11.151 -10.766 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.165 -11.173 -11.383 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.544 -9.991 -10.247 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.612 -11.328 -8.061 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.213 -14.698 -8.437 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.867 -13.533 -6.837 1.00 0.00 H new ATOM 618 N PRO A 41 9.106 -8.710 -11.307 1.00 0.00 N ATOM 619 CA PRO A 41 8.822 -7.357 -11.775 1.00 0.00 C ATOM 620 C PRO A 41 10.086 -6.640 -12.222 1.00 0.00 C ATOM 621 O PRO A 41 10.046 -5.788 -13.090 1.00 0.00 O ATOM 622 CB PRO A 41 8.242 -6.637 -10.540 1.00 0.00 C ATOM 623 CG PRO A 41 7.964 -7.711 -9.459 1.00 0.00 C ATOM 624 CD PRO A 41 8.559 -9.029 -9.967 1.00 0.00 C ATOM 0 HA PRO A 41 8.149 -7.369 -12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.944 -5.891 -10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.324 -6.109 -10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.415 -7.426 -8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.893 -7.814 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.339 -9.394 -9.299 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.799 -9.809 -10.026 1.00 0.00 H new ATOM 632 N SER A 42 11.189 -6.999 -11.619 1.00 0.00 N ATOM 633 CA SER A 42 12.468 -6.345 -11.998 1.00 0.00 C ATOM 634 C SER A 42 13.668 -7.023 -11.307 1.00 0.00 C ATOM 635 O SER A 42 13.651 -8.213 -11.069 1.00 0.00 O ATOM 636 CB SER A 42 12.367 -4.888 -11.547 1.00 0.00 C ATOM 637 OG SER A 42 13.537 -4.259 -12.055 1.00 0.00 O ATOM 0 H SER A 42 11.256 -7.709 -10.889 1.00 0.00 H new ATOM 0 HA SER A 42 12.628 -6.424 -13.073 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.465 -4.416 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.320 -4.814 -10.460 1.00 0.00 H new ATOM 0 HG SER A 42 13.919 -4.809 -12.771 1.00 0.00 H new ATOM 643 N GLU A 43 14.676 -6.247 -10.977 1.00 0.00 N ATOM 644 CA GLU A 43 15.870 -6.833 -10.311 1.00 0.00 C ATOM 645 C GLU A 43 16.309 -6.028 -9.111 1.00 0.00 C ATOM 646 O GLU A 43 15.998 -4.859 -8.983 1.00 0.00 O ATOM 647 CB GLU A 43 17.015 -6.865 -11.328 1.00 0.00 C ATOM 648 CG GLU A 43 17.140 -5.486 -12.003 1.00 0.00 C ATOM 649 CD GLU A 43 16.545 -5.547 -13.412 1.00 0.00 C ATOM 650 OE1 GLU A 43 15.327 -5.637 -13.486 1.00 0.00 O ATOM 651 OE2 GLU A 43 17.341 -5.495 -14.332 1.00 0.00 O ATOM 0 H GLU A 43 14.717 -5.241 -11.141 1.00 0.00 H new ATOM 0 HA GLU A 43 15.610 -7.832 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.950 -7.125 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.828 -7.634 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.621 -4.732 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.187 -5.188 -12.052 1.00 0.00 H new ATOM 658 N GLY A 44 17.031 -6.683 -8.247 1.00 0.00 N ATOM 659 CA GLY A 44 17.523 -5.999 -7.023 1.00 0.00 C ATOM 660 C GLY A 44 18.227 -6.992 -6.110 1.00 0.00 C ATOM 661 O GLY A 44 19.288 -6.720 -5.625 1.00 0.00 O ATOM 0 H GLY A 44 17.301 -7.662 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.209 -5.197 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.688 -5.538 -6.495 1.00 0.00 H new ATOM 665 N LEU A 45 17.607 -8.130 -5.899 1.00 0.00 N ATOM 666 CA LEU A 45 18.218 -9.163 -5.020 1.00 0.00 C ATOM 667 C LEU A 45 19.599 -9.615 -5.516 1.00 0.00 C ATOM 668 O LEU A 45 19.760 -10.711 -6.015 1.00 0.00 O ATOM 669 CB LEU A 45 17.273 -10.375 -4.978 1.00 0.00 C ATOM 670 CG LEU A 45 16.104 -10.125 -3.992 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.122 -11.226 -2.946 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.245 -8.778 -3.273 1.00 0.00 C ATOM 0 H LEU A 45 16.704 -8.382 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 45 18.359 -8.729 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.879 -10.569 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.827 -11.264 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 45 15.172 -10.117 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.306 -11.070 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.000 -12.193 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.072 -11.206 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.406 -8.640 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.178 -8.762 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.252 -7.973 -4.007 1.00 0.00 H new ATOM 684 N GLU A 46 20.558 -8.747 -5.359 1.00 0.00 N ATOM 685 CA GLU A 46 21.929 -9.049 -5.786 1.00 0.00 C ATOM 686 C GLU A 46 22.792 -9.272 -4.550 1.00 0.00 C ATOM 687 O GLU A 46 22.490 -8.735 -3.508 1.00 0.00 O ATOM 688 CB GLU A 46 22.460 -7.824 -6.572 1.00 0.00 C ATOM 689 CG GLU A 46 23.551 -7.104 -5.751 1.00 0.00 C ATOM 690 CD GLU A 46 24.144 -5.959 -6.569 1.00 0.00 C ATOM 691 OE1 GLU A 46 24.568 -6.244 -7.676 1.00 0.00 O ATOM 692 OE2 GLU A 46 24.146 -4.863 -6.037 1.00 0.00 O ATOM 0 H GLU A 46 20.435 -7.824 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 46 21.956 -9.942 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.867 -8.145 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.642 -7.137 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.126 -6.719 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.335 -7.809 -5.474 1.00 0.00 H new ATOM 699 N GLU A 47 23.837 -10.066 -4.690 1.00 0.00 N ATOM 700 CA GLU A 47 24.752 -10.346 -3.521 1.00 0.00 C ATOM 701 C GLU A 47 24.019 -10.254 -2.173 1.00 0.00 C ATOM 702 O GLU A 47 23.577 -11.231 -1.624 1.00 0.00 O ATOM 703 CB GLU A 47 25.878 -9.286 -3.539 1.00 0.00 C ATOM 704 CG GLU A 47 27.094 -9.839 -4.305 1.00 0.00 C ATOM 705 CD GLU A 47 28.154 -8.741 -4.439 1.00 0.00 C ATOM 706 OE1 GLU A 47 28.582 -8.272 -3.395 1.00 0.00 O ATOM 707 OE2 GLU A 47 28.474 -8.433 -5.573 1.00 0.00 O ATOM 0 H GLU A 47 24.096 -10.531 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 47 25.138 -11.360 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.522 -8.371 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 47 26.164 -9.027 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.509 -10.698 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.788 -10.187 -5.292 1.00 0.00 H new ATOM 714 N ASN A 48 23.908 -9.069 -1.700 1.00 0.00 N ATOM 715 CA ASN A 48 23.229 -8.806 -0.410 1.00 0.00 C ATOM 716 C ASN A 48 22.255 -7.651 -0.635 1.00 0.00 C ATOM 717 O ASN A 48 22.542 -6.530 -0.273 1.00 0.00 O ATOM 718 CB ASN A 48 24.342 -8.363 0.579 1.00 0.00 C ATOM 719 CG ASN A 48 23.768 -8.097 1.966 1.00 0.00 C ATOM 720 OD1 ASN A 48 22.502 -8.259 2.172 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 24.475 -7.743 2.882 1.00 0.00 N flip ATOM 0 H ASN A 48 24.269 -8.235 -2.163 1.00 0.00 H new ATOM 0 HA ASN A 48 22.690 -9.673 -0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.107 -9.137 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.829 -7.463 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 48 25.475 -7.612 2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.071 -7.576 3.803 1.00 0.00 H new ATOM 728 N TYR A 49 21.110 -7.930 -1.223 1.00 0.00 N ATOM 729 CA TYR A 49 20.171 -6.827 -1.454 1.00 0.00 C ATOM 730 C TYR A 49 18.931 -6.769 -0.647 1.00 0.00 C ATOM 731 O TYR A 49 18.619 -7.604 0.164 1.00 0.00 O ATOM 732 CB TYR A 49 19.712 -6.873 -2.901 1.00 0.00 C ATOM 733 CG TYR A 49 20.097 -5.539 -3.471 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.415 -5.179 -3.483 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.145 -4.649 -3.893 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.788 -3.926 -3.909 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.510 -3.393 -4.322 1.00 0.00 C ATOM 738 CZ TYR A 49 20.834 -3.021 -4.333 1.00 0.00 C ATOM 739 OH TYR A 49 21.205 -1.768 -4.750 1.00 0.00 O ATOM 0 H TYR A 49 20.808 -8.852 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 49 20.757 -5.956 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.193 -7.688 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.636 -7.036 -2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 49 22.167 -5.882 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.103 -4.934 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.832 -3.648 -3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.753 -2.696 -4.651 1.00 0.00 H new ATOM 0 HH TYR A 49 20.408 -1.262 -5.015 1.00 0.00 H new ATOM 749 N CYS A 50 18.244 -5.710 -0.952 1.00 0.00 N ATOM 750 CA CYS A 50 16.985 -5.384 -0.333 1.00 0.00 C ATOM 751 C CYS A 50 16.144 -4.675 -1.369 1.00 0.00 C ATOM 752 O CYS A 50 16.392 -3.529 -1.690 1.00 0.00 O ATOM 753 CB CYS A 50 17.298 -4.421 0.787 1.00 0.00 C ATOM 754 SG CYS A 50 16.610 -4.726 2.390 1.00 0.00 S ATOM 0 H CYS A 50 18.545 -5.032 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 50 16.461 -6.264 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 50 18.382 -4.381 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.972 -3.430 0.471 1.00 0.00 H new ATOM 759 N ARG A 51 15.178 -5.350 -1.880 1.00 0.00 N ATOM 760 CA ARG A 51 14.325 -4.698 -2.906 1.00 0.00 C ATOM 761 C ARG A 51 13.001 -5.428 -3.017 1.00 0.00 C ATOM 762 O ARG A 51 12.609 -6.151 -2.116 1.00 0.00 O ATOM 763 CB ARG A 51 15.100 -4.739 -4.274 1.00 0.00 C ATOM 764 CG ARG A 51 14.547 -3.664 -5.242 1.00 0.00 C ATOM 765 CD ARG A 51 14.143 -4.268 -6.588 1.00 0.00 C ATOM 766 NE ARG A 51 13.677 -3.140 -7.451 1.00 0.00 N ATOM 767 CZ ARG A 51 13.208 -3.359 -8.623 1.00 0.00 C ATOM 768 NH1 ARG A 51 14.024 -3.425 -9.603 1.00 0.00 N ATOM 769 NH2 ARG A 51 11.940 -3.504 -8.763 1.00 0.00 N ATOM 0 H ARG A 51 14.935 -6.312 -1.643 1.00 0.00 H new ATOM 0 HA ARG A 51 14.113 -3.665 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.163 -4.570 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.003 -5.727 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.684 -3.176 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.302 -2.894 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.986 -4.783 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.352 -5.006 -6.458 1.00 0.00 H new ATOM 0 HE ARG A 51 13.733 -2.183 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.024 -3.304 -9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.676 -3.598 -10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.327 -3.444 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.546 -3.679 -9.687 1.00 0.00 H new ATOM 783 N ASN A 52 12.320 -5.218 -4.101 1.00 0.00 N ATOM 784 CA ASN A 52 11.019 -5.902 -4.270 1.00 0.00 C ATOM 785 C ASN A 52 10.921 -6.640 -5.612 1.00 0.00 C ATOM 786 O ASN A 52 9.881 -6.631 -6.247 1.00 0.00 O ATOM 787 CB ASN A 52 9.898 -4.849 -4.237 1.00 0.00 C ATOM 788 CG ASN A 52 9.141 -4.944 -2.913 1.00 0.00 C ATOM 789 OD1 ASN A 52 9.044 -3.988 -2.169 1.00 0.00 O ATOM 790 ND2 ASN A 52 8.604 -6.069 -2.577 1.00 0.00 N ATOM 0 H ASN A 52 12.604 -4.610 -4.869 1.00 0.00 H new ATOM 0 HA ASN A 52 10.924 -6.629 -3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.320 -3.851 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.213 -5.006 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.103 -6.151 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.681 -6.876 -3.196 1.00 0.00 H new ATOM 797 N PRO A 53 11.991 -7.290 -6.031 1.00 0.00 N ATOM 798 CA PRO A 53 11.962 -8.004 -7.287 1.00 0.00 C ATOM 799 C PRO A 53 11.038 -9.177 -7.167 1.00 0.00 C ATOM 800 O PRO A 53 10.790 -9.869 -8.105 1.00 0.00 O ATOM 801 CB PRO A 53 13.401 -8.479 -7.510 1.00 0.00 C ATOM 802 CG PRO A 53 14.245 -7.984 -6.304 1.00 0.00 C ATOM 803 CD PRO A 53 13.263 -7.373 -5.301 1.00 0.00 C ATOM 0 HA PRO A 53 11.609 -7.388 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.439 -9.566 -7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.796 -8.081 -8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.796 -8.809 -5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.981 -7.246 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.169 -7.994 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.595 -6.389 -4.970 1.00 0.00 H new ATOM 811 N ASP A 54 10.553 -9.364 -5.984 1.00 0.00 N ATOM 812 CA ASP A 54 9.636 -10.474 -5.717 1.00 0.00 C ATOM 813 C ASP A 54 8.171 -10.046 -5.946 1.00 0.00 C ATOM 814 O ASP A 54 7.340 -10.867 -6.263 1.00 0.00 O ATOM 815 CB ASP A 54 9.849 -10.862 -4.248 1.00 0.00 C ATOM 816 CG ASP A 54 9.427 -9.698 -3.333 1.00 0.00 C ATOM 817 OD1 ASP A 54 9.715 -8.566 -3.712 1.00 0.00 O ATOM 818 OD2 ASP A 54 8.855 -10.000 -2.310 1.00 0.00 O ATOM 0 H ASP A 54 10.762 -8.777 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 54 9.833 -11.311 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.267 -11.753 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.896 -11.110 -4.076 1.00 0.00 H new ATOM 823 N ASN A 55 7.904 -8.761 -5.773 1.00 0.00 N ATOM 824 CA ASN A 55 6.502 -8.223 -5.971 1.00 0.00 C ATOM 825 C ASN A 55 5.645 -8.354 -4.707 1.00 0.00 C ATOM 826 O ASN A 55 4.831 -9.252 -4.592 1.00 0.00 O ATOM 827 CB ASN A 55 5.809 -9.002 -7.111 1.00 0.00 C ATOM 828 CG ASN A 55 4.561 -8.247 -7.561 1.00 0.00 C ATOM 829 OD1 ASN A 55 4.562 -7.566 -8.562 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.481 -8.341 -6.850 1.00 0.00 N ATOM 0 H ASN A 55 8.596 -8.061 -5.503 1.00 0.00 H new ATOM 0 HA ASN A 55 6.594 -7.165 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.494 -9.125 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.539 -10.002 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.638 -7.843 -7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.474 -8.913 -6.006 1.00 0.00 H new ATOM 837 N ASP A 56 5.827 -7.444 -3.795 1.00 0.00 N ATOM 838 CA ASP A 56 5.038 -7.492 -2.538 1.00 0.00 C ATOM 839 C ASP A 56 4.500 -6.089 -2.201 1.00 0.00 C ATOM 840 O ASP A 56 5.226 -5.238 -1.717 1.00 0.00 O ATOM 841 CB ASP A 56 5.977 -7.977 -1.403 1.00 0.00 C ATOM 842 CG ASP A 56 5.209 -8.856 -0.405 1.00 0.00 C ATOM 843 OD1 ASP A 56 4.110 -9.260 -0.757 1.00 0.00 O ATOM 844 OD2 ASP A 56 5.770 -9.071 0.656 1.00 0.00 O ATOM 0 H ASP A 56 6.487 -6.670 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 56 4.192 -8.170 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.808 -8.540 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.405 -7.118 -0.886 1.00 0.00 H new ATOM 849 N PRO A 57 3.220 -5.875 -2.484 1.00 0.00 N ATOM 850 CA PRO A 57 2.568 -4.583 -2.219 1.00 0.00 C ATOM 851 C PRO A 57 2.509 -4.275 -0.715 1.00 0.00 C ATOM 852 O PRO A 57 1.457 -4.309 -0.109 1.00 0.00 O ATOM 853 CB PRO A 57 1.134 -4.742 -2.790 1.00 0.00 C ATOM 854 CG PRO A 57 0.992 -6.208 -3.293 1.00 0.00 C ATOM 855 CD PRO A 57 2.352 -6.901 -3.088 1.00 0.00 C ATOM 0 HA PRO A 57 3.117 -3.759 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.390 -4.526 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.966 -4.039 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.209 -6.729 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.707 -6.227 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.257 -7.770 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.760 -7.255 -4.035 1.00 0.00 H new ATOM 863 N GLN A 58 3.645 -3.982 -0.147 1.00 0.00 N ATOM 864 CA GLN A 58 3.682 -3.671 1.300 1.00 0.00 C ATOM 865 C GLN A 58 5.046 -3.134 1.717 1.00 0.00 C ATOM 866 O GLN A 58 5.139 -2.107 2.364 1.00 0.00 O ATOM 867 CB GLN A 58 3.385 -4.956 2.096 1.00 0.00 C ATOM 868 CG GLN A 58 4.268 -6.111 1.586 1.00 0.00 C ATOM 869 CD GLN A 58 3.531 -7.428 1.819 1.00 0.00 C ATOM 870 OE1 GLN A 58 3.724 -8.090 2.808 1.00 0.00 O ATOM 871 NE2 GLN A 58 2.674 -7.834 0.943 1.00 0.00 N ATOM 0 H GLN A 58 4.545 -3.946 -0.625 1.00 0.00 H new ATOM 0 HA GLN A 58 2.933 -2.906 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.571 -4.787 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.332 -5.221 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.485 -5.981 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.224 -6.115 2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.503 -7.282 0.103 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.168 -8.707 1.091 1.00 0.00 H new ATOM 880 N GLY A 59 6.087 -3.829 1.340 1.00 0.00 N ATOM 881 CA GLY A 59 7.439 -3.342 1.725 1.00 0.00 C ATOM 882 C GLY A 59 8.555 -4.133 1.033 1.00 0.00 C ATOM 883 O GLY A 59 8.378 -5.263 0.616 1.00 0.00 O ATOM 0 H GLY A 59 6.061 -4.691 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.530 -2.287 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.557 -3.419 2.806 1.00 0.00 H new ATOM 887 N PRO A 60 9.701 -3.484 0.930 1.00 0.00 N ATOM 888 CA PRO A 60 10.879 -4.081 0.304 1.00 0.00 C ATOM 889 C PRO A 60 11.394 -5.153 1.239 1.00 0.00 C ATOM 890 O PRO A 60 11.740 -4.860 2.357 1.00 0.00 O ATOM 891 CB PRO A 60 11.902 -2.928 0.224 1.00 0.00 C ATOM 892 CG PRO A 60 11.360 -1.789 1.141 1.00 0.00 C ATOM 893 CD PRO A 60 9.889 -2.117 1.444 1.00 0.00 C ATOM 0 HA PRO A 60 10.685 -4.521 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.886 -3.259 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.014 -2.579 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.939 -1.727 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.445 -0.822 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.683 -2.063 2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.217 -1.413 0.954 1.00 0.00 H new ATOM 901 N TRP A 61 11.445 -6.354 0.768 1.00 0.00 N ATOM 902 CA TRP A 61 11.938 -7.475 1.637 1.00 0.00 C ATOM 903 C TRP A 61 13.342 -7.903 1.318 1.00 0.00 C ATOM 904 O TRP A 61 14.023 -7.357 0.452 1.00 0.00 O ATOM 905 CB TRP A 61 11.037 -8.702 1.405 1.00 0.00 C ATOM 906 CG TRP A 61 11.382 -9.215 0.029 1.00 0.00 C ATOM 907 CD1 TRP A 61 11.127 -8.533 -1.056 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.110 -10.286 -0.242 1.00 0.00 C ATOM 909 NE1 TRP A 61 11.748 -9.214 -2.014 1.00 0.00 N ATOM 910 CE2 TRP A 61 12.387 -10.331 -1.588 1.00 0.00 C ATOM 911 CE3 TRP A 61 12.589 -11.296 0.578 1.00 0.00 C ATOM 912 CZ2 TRP A 61 13.128 -11.344 -2.121 1.00 0.00 C ATOM 913 CZ3 TRP A 61 13.339 -12.329 0.036 1.00 0.00 C ATOM 914 CH2 TRP A 61 13.606 -12.349 -1.314 1.00 0.00 C ATOM 0 H TRP A 61 11.171 -6.623 -0.177 1.00 0.00 H new ATOM 0 HA TRP A 61 11.915 -7.110 2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.215 -9.466 2.162 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.983 -8.430 1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 61 10.547 -7.627 -1.152 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.744 -8.920 -2.991 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.378 -11.278 1.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.340 -11.357 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.713 -13.117 0.673 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.190 -13.152 -1.738 1.00 0.00 H new ATOM 925 N CYS A 62 13.733 -8.884 2.061 1.00 0.00 N ATOM 926 CA CYS A 62 15.065 -9.467 1.925 1.00 0.00 C ATOM 927 C CYS A 62 15.307 -10.400 3.085 1.00 0.00 C ATOM 928 O CYS A 62 14.764 -10.202 4.157 1.00 0.00 O ATOM 929 CB CYS A 62 16.107 -8.363 1.970 1.00 0.00 C ATOM 930 SG CYS A 62 17.811 -8.881 2.288 1.00 0.00 S ATOM 0 H CYS A 62 13.156 -9.317 2.782 1.00 0.00 H new ATOM 0 HA CYS A 62 15.135 -10.005 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.083 -7.831 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.817 -7.650 2.741 1.00 0.00 H new ATOM 935 N TYR A 63 16.094 -11.399 2.866 1.00 0.00 N ATOM 936 CA TYR A 63 16.366 -12.343 3.965 1.00 0.00 C ATOM 937 C TYR A 63 17.729 -12.050 4.570 1.00 0.00 C ATOM 938 O TYR A 63 18.382 -11.089 4.203 1.00 0.00 O ATOM 939 CB TYR A 63 16.367 -13.775 3.398 1.00 0.00 C ATOM 940 CG TYR A 63 14.959 -14.363 3.420 1.00 0.00 C ATOM 941 CD1 TYR A 63 13.887 -13.642 2.949 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.748 -15.643 3.888 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.623 -14.193 2.942 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.486 -16.190 3.882 1.00 0.00 C ATOM 945 CZ TYR A 63 12.416 -15.469 3.409 1.00 0.00 C ATOM 946 OH TYR A 63 11.156 -16.017 3.406 1.00 0.00 O ATOM 0 H TYR A 63 16.558 -11.603 1.981 1.00 0.00 H new ATOM 0 HA TYR A 63 15.600 -12.239 4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.748 -13.767 2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.038 -14.403 3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.036 -12.637 2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.580 -16.221 4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.790 -13.618 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.335 -17.193 4.252 1.00 0.00 H new ATOM 0 HH TYR A 63 11.222 -16.989 3.299 1.00 0.00 H new ATOM 956 N THR A 64 18.136 -12.860 5.493 1.00 0.00 N ATOM 957 CA THR A 64 19.459 -12.616 6.110 1.00 0.00 C ATOM 958 C THR A 64 20.225 -13.907 6.277 1.00 0.00 C ATOM 959 O THR A 64 19.685 -14.982 6.143 1.00 0.00 O ATOM 960 CB THR A 64 19.294 -11.921 7.459 1.00 0.00 C ATOM 961 OG1 THR A 64 19.385 -12.942 8.451 1.00 0.00 O ATOM 962 CG2 THR A 64 17.886 -11.310 7.600 1.00 0.00 C ATOM 0 H THR A 64 17.622 -13.668 5.844 1.00 0.00 H new ATOM 0 HA THR A 64 20.029 -11.966 5.445 1.00 0.00 H new ATOM 0 HB THR A 64 20.045 -11.137 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.511 -13.371 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.797 -10.822 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.726 -10.577 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.138 -12.098 7.521 1.00 0.00 H new ATOM 970 N THR A 65 21.470 -13.772 6.555 1.00 0.00 N ATOM 971 CA THR A 65 22.334 -14.965 6.738 1.00 0.00 C ATOM 972 C THR A 65 21.849 -15.937 7.809 1.00 0.00 C ATOM 973 O THR A 65 22.433 -16.995 7.953 1.00 0.00 O ATOM 974 CB THR A 65 23.719 -14.467 7.155 1.00 0.00 C ATOM 975 OG1 THR A 65 23.493 -13.207 7.745 1.00 0.00 O ATOM 976 CG2 THR A 65 24.584 -14.153 5.936 1.00 0.00 C ATOM 0 H THR A 65 21.944 -12.876 6.667 1.00 0.00 H new ATOM 0 HA THR A 65 22.328 -15.510 5.794 1.00 0.00 H new ATOM 0 HB THR A 65 24.201 -15.215 7.785 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.346 -12.826 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.562 -13.801 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.706 -15.054 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.103 -13.379 5.338 1.00 0.00 H new ATOM 984 N ASP A 66 20.800 -15.607 8.528 1.00 0.00 N ATOM 985 CA ASP A 66 20.343 -16.566 9.574 1.00 0.00 C ATOM 986 C ASP A 66 18.815 -16.779 9.647 1.00 0.00 C ATOM 987 O ASP A 66 18.035 -15.890 9.400 1.00 0.00 O ATOM 988 CB ASP A 66 20.793 -15.981 10.908 1.00 0.00 C ATOM 989 CG ASP A 66 21.935 -16.827 11.492 1.00 0.00 C ATOM 990 OD1 ASP A 66 22.831 -17.136 10.728 1.00 0.00 O ATOM 991 OD2 ASP A 66 21.838 -17.116 12.672 1.00 0.00 O ATOM 0 H ASP A 66 20.260 -14.746 8.439 1.00 0.00 H new ATOM 0 HA ASP A 66 20.768 -17.540 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 66 21.125 -14.952 10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.955 -15.955 11.605 1.00 0.00 H new ATOM 996 N PRO A 67 18.459 -18.002 10.018 1.00 0.00 N ATOM 997 CA PRO A 67 17.052 -18.437 10.160 1.00 0.00 C ATOM 998 C PRO A 67 16.279 -17.578 11.178 1.00 0.00 C ATOM 999 O PRO A 67 15.244 -17.028 10.859 1.00 0.00 O ATOM 1000 CB PRO A 67 17.154 -19.891 10.685 1.00 0.00 C ATOM 1001 CG PRO A 67 18.666 -20.195 10.913 1.00 0.00 C ATOM 1002 CD PRO A 67 19.455 -19.033 10.293 1.00 0.00 C ATOM 0 HA PRO A 67 16.514 -18.346 9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.595 -20.005 11.614 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.725 -20.590 9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.885 -20.286 11.977 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.944 -21.141 10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 67 20.222 -18.668 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.963 -19.344 9.380 1.00 0.00 H new ATOM 1010 N GLU A 68 16.792 -17.495 12.394 1.00 0.00 N ATOM 1011 CA GLU A 68 16.093 -16.671 13.444 1.00 0.00 C ATOM 1012 C GLU A 68 15.701 -15.317 12.864 1.00 0.00 C ATOM 1013 O GLU A 68 14.643 -14.782 13.139 1.00 0.00 O ATOM 1014 CB GLU A 68 17.081 -16.433 14.604 1.00 0.00 C ATOM 1015 CG GLU A 68 17.312 -17.747 15.364 1.00 0.00 C ATOM 1016 CD GLU A 68 16.361 -17.818 16.560 1.00 0.00 C ATOM 1017 OE1 GLU A 68 15.199 -18.083 16.307 1.00 0.00 O ATOM 1018 OE2 GLU A 68 16.849 -17.602 17.658 1.00 0.00 O ATOM 0 H GLU A 68 17.650 -17.955 12.699 1.00 0.00 H new ATOM 0 HA GLU A 68 15.200 -17.193 13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.027 -16.054 14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.687 -15.675 15.281 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.145 -18.597 14.702 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.346 -17.806 15.704 1.00 0.00 H new ATOM 1025 N LYS A 69 16.589 -14.808 12.071 1.00 0.00 N ATOM 1026 CA LYS A 69 16.384 -13.504 11.416 1.00 0.00 C ATOM 1027 C LYS A 69 16.372 -13.736 9.927 1.00 0.00 C ATOM 1028 O LYS A 69 16.941 -12.992 9.175 1.00 0.00 O ATOM 1029 CB LYS A 69 17.586 -12.612 11.765 1.00 0.00 C ATOM 1030 CG LYS A 69 18.889 -13.372 11.419 1.00 0.00 C ATOM 1031 CD LYS A 69 20.102 -12.525 11.863 1.00 0.00 C ATOM 1032 CE LYS A 69 20.707 -11.790 10.659 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.673 -10.952 9.983 1.00 0.00 N ATOM 0 H LYS A 69 17.476 -15.259 11.845 1.00 0.00 H new ATOM 0 HA LYS A 69 15.453 -13.037 11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.536 -11.676 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.570 -12.354 12.824 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.903 -14.340 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.938 -13.566 10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.793 -11.804 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.854 -13.167 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.535 -11.161 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 69 21.116 -12.512 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.135 -10.300 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.014 -11.566 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.149 -10.406 10.696 1.00 0.00 H new ATOM 1047 N ARG A 70 15.715 -14.775 9.534 1.00 0.00 N ATOM 1048 CA ARG A 70 15.648 -15.094 8.098 1.00 0.00 C ATOM 1049 C ARG A 70 15.227 -13.914 7.235 1.00 0.00 C ATOM 1050 O ARG A 70 15.764 -13.745 6.170 1.00 0.00 O ATOM 1051 CB ARG A 70 14.676 -16.265 7.902 1.00 0.00 C ATOM 1052 CG ARG A 70 13.262 -15.751 7.598 1.00 0.00 C ATOM 1053 CD ARG A 70 12.432 -16.912 7.050 1.00 0.00 C ATOM 1054 NE ARG A 70 11.416 -16.370 6.088 1.00 0.00 N ATOM 1055 CZ ARG A 70 10.194 -16.784 6.135 1.00 0.00 C ATOM 1056 NH1 ARG A 70 9.881 -17.846 5.494 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.335 -16.114 6.812 1.00 0.00 N ATOM 0 H ARG A 70 15.219 -15.420 10.149 1.00 0.00 H new ATOM 0 HA ARG A 70 16.653 -15.360 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.022 -16.898 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.658 -16.884 8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.802 -15.350 8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.302 -14.938 6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.077 -17.634 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.936 -17.439 7.865 1.00 0.00 H new ATOM 0 HE ARG A 70 11.691 -15.673 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.591 -18.347 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.922 -18.191 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.621 -15.267 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.366 -16.428 6.859 1.00 0.00 H new ATOM 1071 N TYR A 71 14.295 -13.099 7.688 1.00 0.00 N ATOM 1072 CA TYR A 71 13.901 -11.957 6.818 1.00 0.00 C ATOM 1073 C TYR A 71 12.922 -10.963 7.450 1.00 0.00 C ATOM 1074 O TYR A 71 12.538 -11.058 8.601 1.00 0.00 O ATOM 1075 CB TYR A 71 13.205 -12.540 5.565 1.00 0.00 C ATOM 1076 CG TYR A 71 11.691 -12.689 5.831 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.227 -13.072 7.078 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.772 -12.414 4.838 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.878 -13.174 7.324 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.417 -12.520 5.090 1.00 0.00 C ATOM 1081 CZ TYR A 71 8.963 -12.901 6.335 1.00 0.00 C ATOM 1082 OH TYR A 71 7.615 -13.002 6.589 1.00 0.00 O ATOM 0 H TYR A 71 13.813 -13.175 8.584 1.00 0.00 H new ATOM 0 HA TYR A 71 14.818 -11.406 6.610 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.371 -11.887 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.637 -13.509 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.932 -13.293 7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.114 -12.114 3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.534 -13.471 8.304 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.708 -12.303 4.305 1.00 0.00 H new ATOM 0 HH TYR A 71 7.112 -12.773 5.780 1.00 0.00 H new ATOM 1092 N ASP A 72 12.544 -10.045 6.596 1.00 0.00 N ATOM 1093 CA ASP A 72 11.590 -8.940 6.922 1.00 0.00 C ATOM 1094 C ASP A 72 11.642 -7.947 5.753 1.00 0.00 C ATOM 1095 O ASP A 72 12.295 -8.226 4.755 1.00 0.00 O ATOM 1096 CB ASP A 72 12.016 -8.216 8.231 1.00 0.00 C ATOM 1097 CG ASP A 72 10.782 -7.569 8.902 1.00 0.00 C ATOM 1098 OD1 ASP A 72 9.777 -7.452 8.218 1.00 0.00 O ATOM 1099 OD2 ASP A 72 10.921 -7.217 10.059 1.00 0.00 O ATOM 0 H ASP A 72 12.878 -10.017 5.633 1.00 0.00 H new ATOM 0 HA ASP A 72 10.586 -9.337 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.481 -8.926 8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.761 -7.453 8.008 1.00 0.00 H new ATOM 1104 N TYR A 73 10.967 -6.827 5.853 1.00 0.00 N ATOM 1105 CA TYR A 73 11.035 -5.877 4.707 1.00 0.00 C ATOM 1106 C TYR A 73 12.383 -5.215 4.680 1.00 0.00 C ATOM 1107 O TYR A 73 13.388 -5.876 4.781 1.00 0.00 O ATOM 1108 CB TYR A 73 9.915 -4.834 4.800 1.00 0.00 C ATOM 1109 CG TYR A 73 8.650 -5.616 4.767 1.00 0.00 C ATOM 1110 CD1 TYR A 73 8.258 -6.238 3.606 1.00 0.00 C ATOM 1111 CD2 TYR A 73 7.947 -5.837 5.921 1.00 0.00 C ATOM 1112 CE1 TYR A 73 7.185 -7.075 3.606 1.00 0.00 C ATOM 1113 CE2 TYR A 73 6.874 -6.675 5.916 1.00 0.00 C ATOM 1114 CZ TYR A 73 6.491 -7.299 4.762 1.00 0.00 C ATOM 1115 OH TYR A 73 5.415 -8.151 4.772 1.00 0.00 O ATOM 0 H TYR A 73 10.394 -6.540 6.647 1.00 0.00 H new ATOM 0 HA TYR A 73 10.896 -6.430 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.994 -4.252 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.964 -4.129 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.803 -6.062 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.244 -5.346 6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.881 -7.563 2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.323 -6.848 6.829 1.00 0.00 H new ATOM 0 HH TYR A 73 4.994 -8.157 3.887 1.00 0.00 H new ATOM 1125 N CYS A 74 12.414 -3.938 4.538 1.00 0.00 N ATOM 1126 CA CYS A 74 13.730 -3.275 4.512 1.00 0.00 C ATOM 1127 C CYS A 74 13.684 -1.875 5.042 1.00 0.00 C ATOM 1128 O CYS A 74 12.636 -1.283 5.154 1.00 0.00 O ATOM 1129 CB CYS A 74 14.188 -3.203 3.081 1.00 0.00 C ATOM 1130 SG CYS A 74 15.925 -2.907 2.845 1.00 0.00 S ATOM 0 H CYS A 74 11.602 -3.329 4.440 1.00 0.00 H new ATOM 0 HA CYS A 74 14.404 -3.855 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.927 -4.139 2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 74 13.631 -2.411 2.579 1.00 0.00 H new ATOM 1135 N ASP A 75 14.835 -1.366 5.355 1.00 0.00 N ATOM 1136 CA ASP A 75 14.896 -0.005 5.878 1.00 0.00 C ATOM 1137 C ASP A 75 14.946 0.976 4.694 1.00 0.00 C ATOM 1138 O ASP A 75 15.600 1.999 4.724 1.00 0.00 O ATOM 1139 CB ASP A 75 16.150 0.092 6.773 1.00 0.00 C ATOM 1140 CG ASP A 75 16.354 1.531 7.260 1.00 0.00 C ATOM 1141 OD1 ASP A 75 15.347 2.147 7.575 1.00 0.00 O ATOM 1142 OD2 ASP A 75 17.508 1.929 7.289 1.00 0.00 O ATOM 0 H ASP A 75 15.732 -1.844 5.267 1.00 0.00 H new ATOM 0 HA ASP A 75 14.020 0.248 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.046 -0.576 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.027 -0.237 6.216 1.00 0.00 H new ATOM 1147 N ILE A 76 14.225 0.601 3.650 1.00 0.00 N ATOM 1148 CA ILE A 76 14.161 1.442 2.411 1.00 0.00 C ATOM 1149 C ILE A 76 13.006 2.426 2.527 1.00 0.00 C ATOM 1150 O ILE A 76 11.907 2.035 2.863 1.00 0.00 O ATOM 1151 CB ILE A 76 13.893 0.510 1.198 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.200 0.220 0.454 1.00 0.00 C ATOM 1153 CG2 ILE A 76 12.912 1.212 0.205 1.00 0.00 C ATOM 1154 CD1 ILE A 76 14.886 -0.602 -0.790 1.00 0.00 C ATOM 0 H ILE A 76 13.677 -0.258 3.610 1.00 0.00 H new ATOM 0 HA ILE A 76 15.098 1.984 2.283 1.00 0.00 H new ATOM 0 HB ILE A 76 13.462 -0.421 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 76 15.691 1.153 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.890 -0.323 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.725 0.557 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.971 1.425 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.355 2.144 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.810 -0.815 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.413 -1.539 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.211 -0.041 -1.436 1.00 0.00 H new ATOM 1166 N LEU A 77 13.263 3.681 2.247 1.00 0.00 N ATOM 1167 CA LEU A 77 12.166 4.687 2.344 1.00 0.00 C ATOM 1168 C LEU A 77 10.858 4.071 1.839 1.00 0.00 C ATOM 1169 O LEU A 77 10.703 3.835 0.662 1.00 0.00 O ATOM 1170 CB LEU A 77 12.535 5.898 1.454 1.00 0.00 C ATOM 1171 CG LEU A 77 13.461 6.862 2.227 1.00 0.00 C ATOM 1172 CD1 LEU A 77 12.679 7.518 3.374 1.00 0.00 C ATOM 1173 CD2 LEU A 77 14.651 6.083 2.806 1.00 0.00 C ATOM 0 H LEU A 77 14.171 4.046 1.960 1.00 0.00 H new ATOM 0 HA LEU A 77 12.038 5.001 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.031 5.554 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.630 6.421 1.144 1.00 0.00 H new ATOM 0 HG LEU A 77 13.826 7.631 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.334 8.198 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.835 8.075 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.312 6.747 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.303 6.766 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.286 5.312 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.211 5.618 1.995 1.00 0.00 H new ATOM 1185 N GLU A 78 9.955 3.803 2.743 1.00 0.00 N ATOM 1186 CA GLU A 78 8.653 3.199 2.328 1.00 0.00 C ATOM 1187 C GLU A 78 7.962 4.045 1.256 1.00 0.00 C ATOM 1188 O GLU A 78 8.092 5.252 1.228 1.00 0.00 O ATOM 1189 CB GLU A 78 7.744 3.096 3.572 1.00 0.00 C ATOM 1190 CG GLU A 78 8.527 2.406 4.719 1.00 0.00 C ATOM 1191 CD GLU A 78 7.723 1.224 5.290 1.00 0.00 C ATOM 1192 OE1 GLU A 78 7.055 0.585 4.495 1.00 0.00 O ATOM 1193 OE2 GLU A 78 7.834 1.025 6.492 1.00 0.00 O ATOM 0 H GLU A 78 10.059 3.974 3.743 1.00 0.00 H new ATOM 0 HA GLU A 78 8.840 2.213 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.419 4.089 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.846 2.526 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.489 2.053 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.735 3.127 5.510 1.00 0.00 H new ATOM 1200 N CYS A 79 7.239 3.387 0.392 1.00 0.00 N ATOM 1201 CA CYS A 79 6.529 4.121 -0.690 1.00 0.00 C ATOM 1202 C CYS A 79 5.459 3.239 -1.326 1.00 0.00 C ATOM 1203 O CYS A 79 4.448 3.805 -1.719 1.00 0.00 O ATOM 1204 CB CYS A 79 7.550 4.493 -1.780 1.00 0.00 C ATOM 1205 SG CYS A 79 9.254 4.834 -1.276 1.00 0.00 S ATOM 1206 OXT CYS A 79 5.717 2.048 -1.399 1.00 0.00 O ATOM 0 H CYS A 79 7.110 2.375 0.389 1.00 0.00 H new ATOM 0 HA CYS A 79 6.060 5.008 -0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 79 7.574 3.680 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 79 7.175 5.374 -2.301 1.00 0.00 H new TER 1211 CYS A 79