USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 521 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 10 ASN : amide:sc= -0.36 K(o=0.25,f=-1.3) USER MOD Set 1.2: A 12 CYS SG : rot 33:sc= 0.608 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.989! C(o=-0.99!,f=-1.5!) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.246 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.183 K(o=-0.18,f=0.37) USER MOD Single : A 21 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.82) USER MOD Single : A 25 MET CE :methyl -141:sc= -1.55 (180deg=-2.94!) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc=-0.00859 (180deg=-0.479) USER MOD Single : A 28 SER OG : rot 90:sc= -0.169 USER MOD Single : A 37 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.27) USER MOD Single : A 42 LYS NZ :NH3+ 140:sc= -0.0192 (180deg=-1.76!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.07 USER MOD Single : A 59 TYR OH : rot -39:sc= 1.08 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 41:sc= 1.13 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.623 -16.624 10.015 1.00 0.00 N ATOM 2 CA GLY A 1 -22.595 -16.392 9.017 1.00 0.00 C ATOM 3 C GLY A 1 -21.338 -17.197 9.281 1.00 0.00 C ATOM 4 O GLY A 1 -21.377 -18.427 9.317 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.461 -16.051 9.790 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.883 -17.631 10.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.263 -16.356 10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.986 -16.647 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.346 -15.331 8.997 1.00 0.00 H new ATOM 8 N SER A 2 -20.220 -16.502 9.465 1.00 0.00 N ATOM 9 CA SER A 2 -18.945 -17.160 9.722 1.00 0.00 C ATOM 10 C SER A 2 -18.047 -16.285 10.591 1.00 0.00 C ATOM 11 O SER A 2 -18.430 -15.185 10.988 1.00 0.00 O ATOM 12 CB SER A 2 -18.239 -17.483 8.403 1.00 0.00 C ATOM 13 OG SER A 2 -18.909 -18.521 7.707 1.00 0.00 O ATOM 0 H SER A 2 -20.172 -15.483 9.441 1.00 0.00 H new ATOM 0 HA SER A 2 -19.145 -18.089 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.199 -16.590 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.209 -17.780 8.601 1.00 0.00 H new ATOM 0 HG SER A 2 -18.440 -18.708 6.867 1.00 0.00 H new ATOM 19 N SER A 3 -16.849 -16.783 10.883 1.00 0.00 N ATOM 20 CA SER A 3 -15.897 -16.049 11.708 1.00 0.00 C ATOM 21 C SER A 3 -14.622 -15.745 10.926 1.00 0.00 C ATOM 22 O SER A 3 -13.540 -15.636 11.500 1.00 0.00 O ATOM 23 CB SER A 3 -15.558 -16.849 12.967 1.00 0.00 C ATOM 24 OG SER A 3 -15.417 -18.228 12.672 1.00 0.00 O ATOM 0 H SER A 3 -16.515 -17.691 10.560 1.00 0.00 H new ATOM 0 HA SER A 3 -16.358 -15.105 11.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.634 -16.471 13.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.342 -16.711 13.711 1.00 0.00 H new ATOM 0 HG SER A 3 -15.199 -18.717 13.493 1.00 0.00 H new ATOM 30 N GLY A 4 -14.760 -15.608 9.611 1.00 0.00 N ATOM 31 CA GLY A 4 -13.613 -15.318 8.771 1.00 0.00 C ATOM 32 C GLY A 4 -14.001 -14.629 7.478 1.00 0.00 C ATOM 33 O GLY A 4 -15.166 -14.287 7.274 1.00 0.00 O ATOM 0 H GLY A 4 -15.646 -15.693 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.915 -14.687 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.090 -16.247 8.542 1.00 0.00 H new ATOM 37 N SER A 5 -13.022 -14.423 6.602 1.00 0.00 N ATOM 38 CA SER A 5 -13.266 -13.764 5.324 1.00 0.00 C ATOM 39 C SER A 5 -13.956 -14.712 4.348 1.00 0.00 C ATOM 40 O SER A 5 -13.375 -15.113 3.339 1.00 0.00 O ATOM 41 CB SER A 5 -11.951 -13.265 4.724 1.00 0.00 C ATOM 42 OG SER A 5 -11.028 -12.912 5.741 1.00 0.00 O ATOM 0 H SER A 5 -12.053 -14.703 6.754 1.00 0.00 H new ATOM 0 HA SER A 5 -13.922 -12.912 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.520 -14.040 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.143 -12.402 4.087 1.00 0.00 H new ATOM 0 HG SER A 5 -10.195 -12.598 5.332 1.00 0.00 H new ATOM 48 N SER A 6 -15.199 -15.067 4.655 1.00 0.00 N ATOM 49 CA SER A 6 -15.968 -15.971 3.808 1.00 0.00 C ATOM 50 C SER A 6 -17.113 -15.231 3.123 1.00 0.00 C ATOM 51 O SER A 6 -17.825 -14.448 3.751 1.00 0.00 O ATOM 52 CB SER A 6 -16.520 -17.134 4.635 1.00 0.00 C ATOM 53 OG SER A 6 -16.686 -18.293 3.838 1.00 0.00 O ATOM 0 H SER A 6 -15.696 -14.742 5.485 1.00 0.00 H new ATOM 0 HA SER A 6 -15.302 -16.365 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.842 -17.351 5.461 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.477 -16.850 5.074 1.00 0.00 H new ATOM 0 HG SER A 6 -17.038 -19.022 4.390 1.00 0.00 H new ATOM 59 N GLY A 7 -17.284 -15.486 1.829 1.00 0.00 N ATOM 60 CA GLY A 7 -18.344 -14.837 1.079 1.00 0.00 C ATOM 61 C GLY A 7 -19.724 -15.217 1.577 1.00 0.00 C ATOM 62 O GLY A 7 -19.983 -15.202 2.781 1.00 0.00 O ATOM 0 H GLY A 7 -16.708 -16.130 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.222 -13.756 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.255 -15.104 0.026 1.00 0.00 H new ATOM 66 N HIS A 8 -20.613 -15.558 0.650 1.00 0.00 N ATOM 67 CA HIS A 8 -21.975 -15.943 1.002 1.00 0.00 C ATOM 68 C HIS A 8 -22.604 -14.918 1.941 1.00 0.00 C ATOM 69 O HIS A 8 -23.200 -15.276 2.958 1.00 0.00 O ATOM 70 CB HIS A 8 -21.984 -17.325 1.656 1.00 0.00 C ATOM 71 CG HIS A 8 -23.343 -17.765 2.107 1.00 0.00 C ATOM 72 ND1 HIS A 8 -23.672 -17.950 3.433 1.00 0.00 N ATOM 73 CD2 HIS A 8 -24.460 -18.056 1.399 1.00 0.00 C ATOM 74 CE1 HIS A 8 -24.932 -18.337 3.522 1.00 0.00 C ATOM 75 NE2 HIS A 8 -25.433 -18.408 2.302 1.00 0.00 N ATOM 0 H HIS A 8 -20.415 -15.576 -0.350 1.00 0.00 H new ATOM 0 HA HIS A 8 -22.564 -15.979 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -21.591 -18.055 0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -21.311 -17.317 2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -24.566 -18.018 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -25.462 -18.558 4.437 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -26.388 -18.680 2.068 1.00 0.00 H new ATOM 83 N LEU A 9 -22.466 -13.643 1.595 1.00 0.00 N ATOM 84 CA LEU A 9 -23.020 -12.566 2.408 1.00 0.00 C ATOM 85 C LEU A 9 -24.530 -12.718 2.557 1.00 0.00 C ATOM 86 O LEU A 9 -25.184 -13.357 1.734 1.00 0.00 O ATOM 87 CB LEU A 9 -22.692 -11.208 1.783 1.00 0.00 C ATOM 88 CG LEU A 9 -21.344 -10.599 2.172 1.00 0.00 C ATOM 89 CD1 LEU A 9 -20.229 -11.177 1.315 1.00 0.00 C ATOM 90 CD2 LEU A 9 -21.387 -9.083 2.043 1.00 0.00 C ATOM 0 H LEU A 9 -21.975 -13.330 0.757 1.00 0.00 H new ATOM 0 HA LEU A 9 -22.568 -12.622 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -22.721 -11.313 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -23.479 -10.505 2.057 1.00 0.00 H new ATOM 0 HG LEU A 9 -21.141 -10.850 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.278 -10.732 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -20.183 -12.257 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -20.426 -10.958 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -20.420 -8.666 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -21.613 -8.812 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.159 -8.684 2.701 1.00 0.00 H new ATOM 102 N ASN A 10 -25.078 -12.123 3.612 1.00 0.00 N ATOM 103 CA ASN A 10 -26.512 -12.191 3.868 1.00 0.00 C ATOM 104 C ASN A 10 -27.005 -10.914 4.542 1.00 0.00 C ATOM 105 O ASN A 10 -26.238 -10.208 5.198 1.00 0.00 O ATOM 106 CB ASN A 10 -26.838 -13.402 4.745 1.00 0.00 C ATOM 107 CG ASN A 10 -25.831 -13.596 5.862 1.00 0.00 C ATOM 108 OD1 ASN A 10 -24.658 -13.878 5.613 1.00 0.00 O ATOM 109 ND2 ASN A 10 -26.284 -13.444 7.100 1.00 0.00 N ATOM 0 H ASN A 10 -24.551 -11.589 4.303 1.00 0.00 H new ATOM 0 HA ASN A 10 -27.022 -12.296 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -27.833 -13.279 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -26.866 -14.298 4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -25.652 -13.561 7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -27.264 -13.210 7.259 1.00 0.00 H new ATOM 116 N THR A 11 -28.292 -10.623 4.377 1.00 0.00 N ATOM 117 CA THR A 11 -28.888 -9.432 4.968 1.00 0.00 C ATOM 118 C THR A 11 -28.455 -9.263 6.420 1.00 0.00 C ATOM 119 O THR A 11 -28.868 -10.026 7.293 1.00 0.00 O ATOM 120 CB THR A 11 -30.426 -9.483 4.906 1.00 0.00 C ATOM 121 OG1 THR A 11 -30.895 -10.746 5.393 1.00 0.00 O ATOM 122 CG2 THR A 11 -30.918 -9.270 3.482 1.00 0.00 C ATOM 0 H THR A 11 -28.941 -11.197 3.839 1.00 0.00 H new ATOM 0 HA THR A 11 -28.536 -8.581 4.385 1.00 0.00 H new ATOM 0 HB THR A 11 -30.819 -8.683 5.533 1.00 0.00 H new ATOM 0 HG1 THR A 11 -30.359 -11.018 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 11 -32.007 -9.310 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 11 -30.585 -8.296 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 11 -30.515 -10.051 2.837 1.00 0.00 H new ATOM 130 N CYS A 12 -27.622 -8.259 6.671 1.00 0.00 N ATOM 131 CA CYS A 12 -27.133 -7.990 8.018 1.00 0.00 C ATOM 132 C CYS A 12 -26.640 -6.552 8.141 1.00 0.00 C ATOM 133 O CYS A 12 -25.838 -6.090 7.329 1.00 0.00 O ATOM 134 CB CYS A 12 -26.008 -8.961 8.378 1.00 0.00 C ATOM 135 SG CYS A 12 -26.579 -10.525 9.082 1.00 0.00 S ATOM 0 H CYS A 12 -27.271 -7.618 5.959 1.00 0.00 H new ATOM 0 HA CYS A 12 -27.961 -8.131 8.713 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -25.423 -9.170 7.482 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -25.339 -8.477 9.090 1.00 0.00 H new ATOM 0 HG CYS A 12 -27.722 -10.848 8.552 1.00 0.00 H new ATOM 141 N SER A 13 -27.125 -5.850 9.159 1.00 0.00 N ATOM 142 CA SER A 13 -26.738 -4.462 9.385 1.00 0.00 C ATOM 143 C SER A 13 -25.235 -4.350 9.627 1.00 0.00 C ATOM 144 O SER A 13 -24.770 -4.436 10.764 1.00 0.00 O ATOM 145 CB SER A 13 -27.502 -3.884 10.577 1.00 0.00 C ATOM 146 OG SER A 13 -28.876 -3.721 10.271 1.00 0.00 O ATOM 0 H SER A 13 -27.787 -6.219 9.841 1.00 0.00 H new ATOM 0 HA SER A 13 -26.989 -3.891 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 13 -27.394 -4.544 11.437 1.00 0.00 H new ATOM 0 HB3 SER A 13 -27.072 -2.922 10.857 1.00 0.00 H new ATOM 0 HG SER A 13 -29.343 -3.352 11.049 1.00 0.00 H new ATOM 152 N PHE A 14 -24.481 -4.158 8.550 1.00 0.00 N ATOM 153 CA PHE A 14 -23.031 -4.036 8.644 1.00 0.00 C ATOM 154 C PHE A 14 -22.617 -2.573 8.775 1.00 0.00 C ATOM 155 O PHE A 14 -22.814 -1.776 7.858 1.00 0.00 O ATOM 156 CB PHE A 14 -22.365 -4.658 7.415 1.00 0.00 C ATOM 157 CG PHE A 14 -20.890 -4.885 7.584 1.00 0.00 C ATOM 158 CD1 PHE A 14 -20.412 -5.693 8.602 1.00 0.00 C ATOM 159 CD2 PHE A 14 -19.981 -4.291 6.723 1.00 0.00 C ATOM 160 CE1 PHE A 14 -19.055 -5.903 8.760 1.00 0.00 C ATOM 161 CE2 PHE A 14 -18.623 -4.497 6.875 1.00 0.00 C ATOM 162 CZ PHE A 14 -18.159 -5.305 7.895 1.00 0.00 C ATOM 0 H PHE A 14 -24.850 -4.084 7.602 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.703 -4.570 9.536 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -22.848 -5.609 7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -22.529 -4.009 6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.108 -6.165 9.280 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.338 -3.659 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.695 -6.534 9.559 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.926 -4.027 6.197 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.098 -5.469 8.016 1.00 0.00 H new ATOM 172 N ASN A 15 -22.041 -2.228 9.922 1.00 0.00 N ATOM 173 CA ASN A 15 -21.600 -0.861 10.175 1.00 0.00 C ATOM 174 C ASN A 15 -20.084 -0.800 10.336 1.00 0.00 C ATOM 175 O ASN A 15 -19.501 -1.551 11.118 1.00 0.00 O ATOM 176 CB ASN A 15 -22.280 -0.307 11.429 1.00 0.00 C ATOM 177 CG ASN A 15 -22.438 -1.356 12.512 1.00 0.00 C ATOM 178 OD1 ASN A 15 -21.491 -2.071 12.842 1.00 0.00 O ATOM 179 ND2 ASN A 15 -23.638 -1.452 13.072 1.00 0.00 N ATOM 0 H ASN A 15 -21.869 -2.876 10.691 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.882 -0.250 9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -21.696 0.527 11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.261 0.087 11.163 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.804 -2.139 13.807 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.394 -0.839 12.767 1.00 0.00 H new ATOM 186 N VAL A 16 -19.450 0.099 9.590 1.00 0.00 N ATOM 187 CA VAL A 16 -18.003 0.260 9.650 1.00 0.00 C ATOM 188 C VAL A 16 -17.619 1.724 9.831 1.00 0.00 C ATOM 189 O VAL A 16 -18.475 2.609 9.796 1.00 0.00 O ATOM 190 CB VAL A 16 -17.324 -0.284 8.379 1.00 0.00 C ATOM 191 CG1 VAL A 16 -18.031 -1.539 7.891 1.00 0.00 C ATOM 192 CG2 VAL A 16 -17.299 0.780 7.292 1.00 0.00 C ATOM 0 H VAL A 16 -19.917 0.728 8.936 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.657 -0.312 10.511 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.295 -0.547 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.537 -1.909 6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.992 -2.303 8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.071 -1.305 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.816 0.379 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -18.320 1.076 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -16.744 1.649 7.646 1.00 0.00 H new ATOM 202 N ILE A 17 -16.328 1.973 10.023 1.00 0.00 N ATOM 203 CA ILE A 17 -15.831 3.331 10.208 1.00 0.00 C ATOM 204 C ILE A 17 -14.623 3.600 9.318 1.00 0.00 C ATOM 205 O ILE A 17 -13.851 2.699 8.988 1.00 0.00 O ATOM 206 CB ILE A 17 -15.443 3.594 11.675 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.456 2.531 12.162 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.684 3.616 12.555 1.00 0.00 C ATOM 209 CD1 ILE A 17 -13.700 2.934 13.409 1.00 0.00 C ATOM 0 H ILE A 17 -15.607 1.252 10.055 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.642 4.004 9.929 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.959 4.569 11.739 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.998 1.606 12.359 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.742 2.319 11.367 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.394 3.803 13.589 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.355 4.406 12.218 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.194 2.655 12.489 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.019 2.133 13.696 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.130 3.842 13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.406 3.118 14.219 1.00 0.00 H new ATOM 221 N PRO A 18 -14.451 4.869 8.920 1.00 0.00 N ATOM 222 CA PRO A 18 -13.337 5.287 8.065 1.00 0.00 C ATOM 223 C PRO A 18 -11.997 5.230 8.790 1.00 0.00 C ATOM 224 O PRO A 18 -11.927 5.427 10.004 1.00 0.00 O ATOM 225 CB PRO A 18 -13.689 6.733 7.705 1.00 0.00 C ATOM 226 CG PRO A 18 -14.558 7.200 8.821 1.00 0.00 C ATOM 227 CD PRO A 18 -15.333 5.994 9.276 1.00 0.00 C ATOM 0 HA PRO A 18 -13.220 4.634 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.794 7.348 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.209 6.788 6.749 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.961 7.610 9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.229 7.992 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.533 6.025 10.347 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.298 5.923 8.774 1.00 0.00 H new ATOM 235 N CYS A 19 -10.934 4.960 8.039 1.00 0.00 N ATOM 236 CA CYS A 19 -9.595 4.877 8.610 1.00 0.00 C ATOM 237 C CYS A 19 -9.099 6.256 9.035 1.00 0.00 C ATOM 238 O CYS A 19 -9.227 7.241 8.307 1.00 0.00 O ATOM 239 CB CYS A 19 -8.624 4.263 7.600 1.00 0.00 C ATOM 240 SG CYS A 19 -6.967 3.921 8.274 1.00 0.00 S ATOM 0 H CYS A 19 -10.974 4.795 7.033 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.642 4.239 9.492 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.050 3.333 7.222 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.526 4.938 6.750 1.00 0.00 H new ATOM 245 N PRO A 20 -8.518 6.330 10.242 1.00 0.00 N ATOM 246 CA PRO A 20 -7.989 7.582 10.791 1.00 0.00 C ATOM 247 C PRO A 20 -6.743 8.058 10.053 1.00 0.00 C ATOM 248 O PRO A 20 -6.449 9.252 10.018 1.00 0.00 O ATOM 249 CB PRO A 20 -7.648 7.219 12.238 1.00 0.00 C ATOM 250 CG PRO A 20 -7.408 5.749 12.213 1.00 0.00 C ATOM 251 CD PRO A 20 -8.331 5.196 11.163 1.00 0.00 C ATOM 0 HA PRO A 20 -8.703 8.401 10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.766 7.758 12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.464 7.476 12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.368 5.528 11.974 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.613 5.304 13.186 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.894 4.335 10.657 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.277 4.867 11.593 1.00 0.00 H new ATOM 259 N ASN A 21 -6.013 7.116 9.464 1.00 0.00 N ATOM 260 CA ASN A 21 -4.797 7.440 8.726 1.00 0.00 C ATOM 261 C ASN A 21 -5.108 8.340 7.534 1.00 0.00 C ATOM 262 O ASN A 21 -4.202 8.845 6.872 1.00 0.00 O ATOM 263 CB ASN A 21 -4.109 6.160 8.248 1.00 0.00 C ATOM 264 CG ASN A 21 -3.156 5.595 9.284 1.00 0.00 C ATOM 265 OD1 ASN A 21 -2.293 6.304 9.802 1.00 0.00 O ATOM 266 ND2 ASN A 21 -3.308 4.312 9.590 1.00 0.00 N ATOM 0 H ASN A 21 -6.242 6.122 9.483 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.126 7.976 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.865 5.412 8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.561 6.367 7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.696 3.876 10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.037 3.762 9.136 1.00 0.00 H new ATOM 273 N ARG A 22 -6.395 8.535 7.266 1.00 0.00 N ATOM 274 CA ARG A 22 -6.826 9.372 6.153 1.00 0.00 C ATOM 275 C ARG A 22 -6.668 8.636 4.826 1.00 0.00 C ATOM 276 O ARG A 22 -6.397 9.248 3.792 1.00 0.00 O ATOM 277 CB ARG A 22 -6.022 10.673 6.125 1.00 0.00 C ATOM 278 CG ARG A 22 -5.796 11.279 7.501 1.00 0.00 C ATOM 279 CD ARG A 22 -4.498 12.069 7.555 1.00 0.00 C ATOM 280 NE ARG A 22 -4.395 13.030 6.460 1.00 0.00 N ATOM 281 CZ ARG A 22 -5.152 14.118 6.364 1.00 0.00 C ATOM 282 NH1 ARG A 22 -6.061 14.382 7.292 1.00 0.00 N ATOM 283 NH2 ARG A 22 -4.999 14.945 5.337 1.00 0.00 N ATOM 0 H ARG A 22 -7.158 8.124 7.805 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.881 9.607 6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.056 10.483 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.542 11.398 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.631 11.932 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.773 10.487 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.434 12.596 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.653 11.381 7.514 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.705 12.857 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.181 13.749 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.640 15.218 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.300 14.745 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.580 15.780 5.264 1.00 0.00 H new ATOM 297 N CYS A 23 -6.841 7.319 4.862 1.00 0.00 N ATOM 298 CA CYS A 23 -6.717 6.498 3.663 1.00 0.00 C ATOM 299 C CYS A 23 -8.086 6.018 3.189 1.00 0.00 C ATOM 300 O CYS A 23 -8.973 5.710 3.985 1.00 0.00 O ATOM 301 CB CYS A 23 -5.809 5.296 3.934 1.00 0.00 C ATOM 302 SG CYS A 23 -6.673 3.856 4.639 1.00 0.00 S ATOM 0 H CYS A 23 -7.068 6.797 5.709 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.274 7.110 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.330 4.998 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.015 5.600 4.617 1.00 0.00 H new ATOM 307 N PRO A 24 -8.263 5.954 1.861 1.00 0.00 N ATOM 308 CA PRO A 24 -9.520 5.512 1.250 1.00 0.00 C ATOM 309 C PRO A 24 -9.772 4.022 1.455 1.00 0.00 C ATOM 310 O PRO A 24 -9.806 3.252 0.496 1.00 0.00 O ATOM 311 CB PRO A 24 -9.321 5.822 -0.235 1.00 0.00 C ATOM 312 CG PRO A 24 -7.844 5.802 -0.432 1.00 0.00 C ATOM 313 CD PRO A 24 -7.249 6.307 0.853 1.00 0.00 C ATOM 0 HA PRO A 24 -10.384 6.009 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.814 5.081 -0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.742 6.793 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.494 4.794 -0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.554 6.434 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.290 5.834 1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.073 7.382 0.819 1.00 0.00 H new ATOM 321 N MET A 25 -9.948 3.623 2.710 1.00 0.00 N ATOM 322 CA MET A 25 -10.198 2.225 3.039 1.00 0.00 C ATOM 323 C MET A 25 -10.924 2.102 4.376 1.00 0.00 C ATOM 324 O MET A 25 -10.496 2.671 5.380 1.00 0.00 O ATOM 325 CB MET A 25 -8.882 1.446 3.087 1.00 0.00 C ATOM 326 CG MET A 25 -8.561 0.717 1.792 1.00 0.00 C ATOM 327 SD MET A 25 -9.110 -1.000 1.808 1.00 0.00 S ATOM 328 CE MET A 25 -8.397 -1.570 3.349 1.00 0.00 C ATOM 0 H MET A 25 -9.922 4.248 3.516 1.00 0.00 H new ATOM 0 HA MET A 25 -10.833 1.803 2.260 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.069 2.135 3.318 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.927 0.722 3.901 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.034 1.238 0.959 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.485 0.749 1.618 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.023 -2.586 3.223 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.575 -0.914 3.634 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.158 -1.557 4.129 1.00 0.00 H new ATOM 338 N LYS A 26 -12.023 1.357 4.380 1.00 0.00 N ATOM 339 CA LYS A 26 -12.808 1.158 5.593 1.00 0.00 C ATOM 340 C LYS A 26 -12.816 -0.311 6.002 1.00 0.00 C ATOM 341 O LYS A 26 -12.864 -1.202 5.153 1.00 0.00 O ATOM 342 CB LYS A 26 -14.243 1.647 5.382 1.00 0.00 C ATOM 343 CG LYS A 26 -14.329 3.040 4.782 1.00 0.00 C ATOM 344 CD LYS A 26 -15.726 3.622 4.921 1.00 0.00 C ATOM 345 CE LYS A 26 -16.002 4.073 6.347 1.00 0.00 C ATOM 346 NZ LYS A 26 -17.456 4.052 6.664 1.00 0.00 N ATOM 0 H LYS A 26 -12.391 0.880 3.557 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.347 1.737 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.764 0.947 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.765 1.640 6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.610 3.695 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.053 3.001 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.838 4.468 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.463 2.876 4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.469 3.424 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.614 5.081 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.587 4.064 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.914 4.887 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.885 3.190 6.271 1.00 0.00 H new ATOM 360 N LEU A 27 -12.769 -0.558 7.306 1.00 0.00 N ATOM 361 CA LEU A 27 -12.772 -1.920 7.828 1.00 0.00 C ATOM 362 C LEU A 27 -13.951 -2.139 8.771 1.00 0.00 C ATOM 363 O LEU A 27 -14.894 -2.859 8.445 1.00 0.00 O ATOM 364 CB LEU A 27 -11.459 -2.211 8.558 1.00 0.00 C ATOM 365 CG LEU A 27 -10.228 -1.460 8.049 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.259 -1.350 6.532 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.146 -0.079 8.684 1.00 0.00 C ATOM 0 H LEU A 27 -12.728 0.167 8.022 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.872 -2.605 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.593 -1.975 9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.260 -3.281 8.493 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.339 -2.023 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.375 -0.813 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.270 -2.348 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.155 -0.810 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.264 0.441 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.039 0.492 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.076 -0.180 9.767 1.00 0.00 H new ATOM 379 N SER A 28 -13.890 -1.512 9.942 1.00 0.00 N ATOM 380 CA SER A 28 -14.951 -1.640 10.933 1.00 0.00 C ATOM 381 C SER A 28 -14.464 -1.200 12.311 1.00 0.00 C ATOM 382 O SER A 28 -13.381 -0.630 12.445 1.00 0.00 O ATOM 383 CB SER A 28 -15.451 -3.085 10.994 1.00 0.00 C ATOM 384 OG SER A 28 -16.680 -3.229 10.303 1.00 0.00 O ATOM 0 H SER A 28 -13.117 -0.911 10.227 1.00 0.00 H new ATOM 0 HA SER A 28 -15.774 -0.991 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.705 -3.750 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.578 -3.386 12.034 1.00 0.00 H new ATOM 0 HG SER A 28 -16.504 -3.453 9.365 1.00 0.00 H new ATOM 390 N ARG A 29 -15.272 -1.469 13.331 1.00 0.00 N ATOM 391 CA ARG A 29 -14.925 -1.100 14.698 1.00 0.00 C ATOM 392 C ARG A 29 -14.258 -2.265 15.423 1.00 0.00 C ATOM 393 O ARG A 29 -14.355 -2.387 16.644 1.00 0.00 O ATOM 394 CB ARG A 29 -16.174 -0.658 15.463 1.00 0.00 C ATOM 395 CG ARG A 29 -16.625 0.754 15.127 1.00 0.00 C ATOM 396 CD ARG A 29 -15.924 1.785 15.998 1.00 0.00 C ATOM 397 NE ARG A 29 -16.359 1.712 17.390 1.00 0.00 N ATOM 398 CZ ARG A 29 -17.536 2.156 17.817 1.00 0.00 C ATOM 399 NH1 ARG A 29 -18.392 2.701 16.962 1.00 0.00 N ATOM 400 NH2 ARG A 29 -17.860 2.055 19.099 1.00 0.00 N ATOM 0 H ARG A 29 -16.171 -1.941 13.237 1.00 0.00 H new ATOM 0 HA ARG A 29 -14.221 -0.269 14.655 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.987 -1.351 15.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.976 -0.722 16.533 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.419 0.963 14.077 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.704 0.835 15.262 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.846 1.630 15.946 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.122 2.784 15.608 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.724 1.297 18.072 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.147 2.780 15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -19.295 3.041 17.292 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.205 1.636 19.759 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.764 2.397 19.425 1.00 0.00 H new ATOM 414 N ARG A 30 -13.582 -3.120 14.661 1.00 0.00 N ATOM 415 CA ARG A 30 -12.900 -4.276 15.231 1.00 0.00 C ATOM 416 C ARG A 30 -11.573 -4.528 14.522 1.00 0.00 C ATOM 417 O ARG A 30 -10.559 -4.809 15.162 1.00 0.00 O ATOM 418 CB ARG A 30 -13.788 -5.518 15.131 1.00 0.00 C ATOM 419 CG ARG A 30 -13.424 -6.608 16.125 1.00 0.00 C ATOM 420 CD ARG A 30 -14.025 -7.948 15.728 1.00 0.00 C ATOM 421 NE ARG A 30 -15.474 -7.869 15.559 1.00 0.00 N ATOM 422 CZ ARG A 30 -16.199 -8.822 14.985 1.00 0.00 C ATOM 423 NH1 ARG A 30 -15.614 -9.921 14.528 1.00 0.00 N ATOM 424 NH2 ARG A 30 -17.513 -8.678 14.867 1.00 0.00 N ATOM 0 H ARG A 30 -13.492 -3.034 13.649 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.697 -4.066 16.281 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.826 -5.226 15.289 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.721 -5.922 14.121 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.339 -6.698 16.186 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.777 -6.329 17.118 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.570 -8.288 14.798 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.789 -8.691 16.489 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.955 -7.037 15.900 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.604 -10.036 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.174 -10.651 14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.967 -7.835 15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.069 -9.411 14.426 1.00 0.00 H new ATOM 438 N ASP A 31 -11.587 -4.426 13.197 1.00 0.00 N ATOM 439 CA ASP A 31 -10.384 -4.642 12.401 1.00 0.00 C ATOM 440 C ASP A 31 -9.605 -3.342 12.230 1.00 0.00 C ATOM 441 O ASP A 31 -8.664 -3.270 11.438 1.00 0.00 O ATOM 442 CB ASP A 31 -10.750 -5.216 11.032 1.00 0.00 C ATOM 443 CG ASP A 31 -11.102 -6.690 11.097 1.00 0.00 C ATOM 444 OD1 ASP A 31 -12.179 -7.019 11.636 1.00 0.00 O ATOM 445 OD2 ASP A 31 -10.301 -7.513 10.607 1.00 0.00 O ATOM 0 H ASP A 31 -12.418 -4.195 12.652 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.752 -5.356 12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.595 -4.662 10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.914 -5.075 10.347 1.00 0.00 H new ATOM 450 N LEU A 32 -10.003 -2.317 12.976 1.00 0.00 N ATOM 451 CA LEU A 32 -9.342 -1.019 12.906 1.00 0.00 C ATOM 452 C LEU A 32 -7.899 -1.115 13.392 1.00 0.00 C ATOM 453 O LEU A 32 -6.965 -0.661 12.731 1.00 0.00 O ATOM 454 CB LEU A 32 -10.106 0.010 13.742 1.00 0.00 C ATOM 455 CG LEU A 32 -10.054 1.454 13.241 1.00 0.00 C ATOM 456 CD1 LEU A 32 -8.613 1.921 13.109 1.00 0.00 C ATOM 457 CD2 LEU A 32 -10.783 1.584 11.912 1.00 0.00 C ATOM 0 H LEU A 32 -10.780 -2.360 13.636 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.334 -0.699 11.864 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.150 -0.298 13.795 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.715 -0.015 14.759 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.555 2.090 13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.595 2.951 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.122 1.866 14.081 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.087 1.282 12.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.736 2.618 11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.311 0.936 11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.825 1.291 12.039 1.00 0.00 H new ATOM 469 N PRO A 33 -7.712 -1.721 14.573 1.00 0.00 N ATOM 470 CA PRO A 33 -6.385 -1.893 15.173 1.00 0.00 C ATOM 471 C PRO A 33 -5.531 -2.900 14.410 1.00 0.00 C ATOM 472 O PRO A 33 -4.341 -3.054 14.686 1.00 0.00 O ATOM 473 CB PRO A 33 -6.696 -2.412 16.579 1.00 0.00 C ATOM 474 CG PRO A 33 -8.028 -3.069 16.454 1.00 0.00 C ATOM 475 CD PRO A 33 -8.780 -2.285 15.415 1.00 0.00 C ATOM 0 HA PRO A 33 -5.810 -0.967 15.163 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.937 -3.117 16.918 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.722 -1.599 17.304 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.922 -4.112 16.155 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.557 -3.062 17.407 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.451 -2.922 14.839 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.391 -1.503 15.866 1.00 0.00 H new ATOM 483 N ALA A 34 -6.145 -3.583 13.450 1.00 0.00 N ATOM 484 CA ALA A 34 -5.440 -4.573 12.645 1.00 0.00 C ATOM 485 C ALA A 34 -5.235 -4.076 11.218 1.00 0.00 C ATOM 486 O ALA A 34 -4.754 -4.813 10.357 1.00 0.00 O ATOM 487 CB ALA A 34 -6.201 -5.890 12.643 1.00 0.00 C ATOM 0 H ALA A 34 -7.130 -3.469 13.210 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.458 -4.734 13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.663 -6.620 12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.290 -6.260 13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.196 -5.735 12.225 1.00 0.00 H new ATOM 493 N HIS A 35 -5.603 -2.822 10.975 1.00 0.00 N ATOM 494 CA HIS A 35 -5.459 -2.226 9.651 1.00 0.00 C ATOM 495 C HIS A 35 -4.349 -1.180 9.644 1.00 0.00 C ATOM 496 O HIS A 35 -3.534 -1.129 8.721 1.00 0.00 O ATOM 497 CB HIS A 35 -6.778 -1.592 9.208 1.00 0.00 C ATOM 498 CG HIS A 35 -6.645 -0.716 8.000 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.260 -1.191 6.764 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.850 0.613 7.843 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.232 -0.193 5.900 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.587 0.913 6.529 1.00 0.00 N ATOM 0 H HIS A 35 -6.003 -2.199 11.677 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.192 -3.017 8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.498 -2.382 8.996 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.183 -1.003 10.031 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.032 -2.162 6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.162 1.308 8.609 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.964 -0.268 4.856 1.00 0.00 H new ATOM 510 N LEU A 36 -4.323 -0.345 10.677 1.00 0.00 N ATOM 511 CA LEU A 36 -3.314 0.702 10.790 1.00 0.00 C ATOM 512 C LEU A 36 -1.957 0.112 11.161 1.00 0.00 C ATOM 513 O LEU A 36 -0.945 0.813 11.163 1.00 0.00 O ATOM 514 CB LEU A 36 -3.737 1.735 11.835 1.00 0.00 C ATOM 515 CG LEU A 36 -5.238 2.005 11.944 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.515 3.070 12.993 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.804 2.423 10.595 1.00 0.00 C ATOM 0 H LEU A 36 -4.990 -0.373 11.449 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.224 1.192 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.376 1.405 12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.234 2.676 11.611 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.731 1.083 12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.588 3.248 13.056 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.146 2.732 13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.009 3.995 12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.873 2.611 10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.305 3.331 10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.640 1.627 9.869 1.00 0.00 H new ATOM 529 N GLN A 37 -1.944 -1.180 11.472 1.00 0.00 N ATOM 530 CA GLN A 37 -0.711 -1.863 11.843 1.00 0.00 C ATOM 531 C GLN A 37 0.097 -2.240 10.605 1.00 0.00 C ATOM 532 O GLN A 37 1.147 -1.655 10.335 1.00 0.00 O ATOM 533 CB GLN A 37 -1.024 -3.116 12.663 1.00 0.00 C ATOM 534 CG GLN A 37 0.136 -4.095 12.746 1.00 0.00 C ATOM 535 CD GLN A 37 -0.168 -5.288 13.631 1.00 0.00 C ATOM 536 OE1 GLN A 37 0.629 -5.654 14.495 1.00 0.00 O ATOM 537 NE2 GLN A 37 -1.327 -5.901 13.419 1.00 0.00 N ATOM 0 H GLN A 37 -2.773 -1.774 11.474 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.116 -1.180 12.449 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.310 -2.818 13.672 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.884 -3.621 12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.383 -4.445 11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.016 -3.578 13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.957 -5.563 12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.587 -6.710 13.984 1.00 0.00 H new ATOM 546 N HIS A 38 -0.399 -3.219 9.856 1.00 0.00 N ATOM 547 CA HIS A 38 0.276 -3.674 8.646 1.00 0.00 C ATOM 548 C HIS A 38 -0.731 -3.962 7.537 1.00 0.00 C ATOM 549 O HIS A 38 -0.479 -4.782 6.654 1.00 0.00 O ATOM 550 CB HIS A 38 1.103 -4.926 8.938 1.00 0.00 C ATOM 551 CG HIS A 38 0.272 -6.147 9.191 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.594 -7.392 8.694 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.872 -6.308 9.895 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.318 -8.266 9.080 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.219 -7.634 9.811 1.00 0.00 N ATOM 0 H HIS A 38 -1.266 -3.713 10.066 1.00 0.00 H new ATOM 0 HA HIS A 38 0.941 -2.879 8.310 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.768 -5.117 8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.735 -4.740 9.807 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.412 -5.537 10.425 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.326 -9.319 8.839 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.039 -8.061 10.243 1.00 0.00 H new ATOM 563 N ASP A 39 -1.872 -3.283 7.590 1.00 0.00 N ATOM 564 CA ASP A 39 -2.917 -3.466 6.590 1.00 0.00 C ATOM 565 C ASP A 39 -3.396 -2.121 6.052 1.00 0.00 C ATOM 566 O ASP A 39 -4.386 -2.048 5.323 1.00 0.00 O ATOM 567 CB ASP A 39 -4.094 -4.239 7.186 1.00 0.00 C ATOM 568 CG ASP A 39 -4.312 -5.577 6.506 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.889 -5.725 5.341 1.00 0.00 O ATOM 570 OD2 ASP A 39 -4.906 -6.474 7.140 1.00 0.00 O ATOM 0 H ASP A 39 -2.096 -2.601 8.315 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.498 -4.039 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.918 -4.400 8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.000 -3.639 7.100 1.00 0.00 H new ATOM 575 N CYS A 40 -2.689 -1.057 6.419 1.00 0.00 N ATOM 576 CA CYS A 40 -3.042 0.286 5.976 1.00 0.00 C ATOM 577 C CYS A 40 -1.968 0.855 5.053 1.00 0.00 C ATOM 578 O CYS A 40 -0.769 0.729 5.304 1.00 0.00 O ATOM 579 CB CYS A 40 -3.235 1.209 7.181 1.00 0.00 C ATOM 580 SG CYS A 40 -3.571 2.945 6.742 1.00 0.00 S ATOM 0 H CYS A 40 -1.868 -1.099 7.022 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.978 0.224 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.060 0.832 7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.340 1.169 7.803 1.00 0.00 H new ATOM 585 N PRO A 41 -2.406 1.496 3.960 1.00 0.00 N ATOM 586 CA PRO A 41 -1.498 2.098 2.978 1.00 0.00 C ATOM 587 C PRO A 41 -0.779 3.324 3.529 1.00 0.00 C ATOM 588 O PRO A 41 0.438 3.455 3.395 1.00 0.00 O ATOM 589 CB PRO A 41 -2.430 2.495 1.830 1.00 0.00 C ATOM 590 CG PRO A 41 -3.763 2.678 2.471 1.00 0.00 C ATOM 591 CD PRO A 41 -3.821 1.684 3.598 1.00 0.00 C ATOM 0 HA PRO A 41 -0.704 1.412 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.094 3.412 1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.463 1.723 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.881 3.696 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.567 2.504 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.404 2.062 4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.284 0.748 3.285 1.00 0.00 H new ATOM 599 N LYS A 42 -1.538 4.221 4.149 1.00 0.00 N ATOM 600 CA LYS A 42 -0.973 5.437 4.722 1.00 0.00 C ATOM 601 C LYS A 42 -0.698 5.259 6.212 1.00 0.00 C ATOM 602 O LYS A 42 -0.717 6.224 6.976 1.00 0.00 O ATOM 603 CB LYS A 42 -1.924 6.616 4.506 1.00 0.00 C ATOM 604 CG LYS A 42 -1.925 7.143 3.081 1.00 0.00 C ATOM 605 CD LYS A 42 -3.098 6.597 2.286 1.00 0.00 C ATOM 606 CE LYS A 42 -3.602 7.610 1.269 1.00 0.00 C ATOM 607 NZ LYS A 42 -4.092 6.952 0.026 1.00 0.00 N ATOM 0 H LYS A 42 -2.547 4.129 4.268 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.029 5.642 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.936 6.309 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.647 7.424 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.969 8.232 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.992 6.868 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.797 5.683 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.907 6.329 2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.407 8.198 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.800 8.305 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.953 7.432 -0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.359 7.010 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.307 5.954 0.223 1.00 0.00 H new ATOM 621 N ARG A 43 -0.442 4.020 6.618 1.00 0.00 N ATOM 622 CA ARG A 43 -0.162 3.716 8.017 1.00 0.00 C ATOM 623 C ARG A 43 0.604 4.858 8.678 1.00 0.00 C ATOM 624 O ARG A 43 0.397 5.159 9.854 1.00 0.00 O ATOM 625 CB ARG A 43 0.638 2.417 8.129 1.00 0.00 C ATOM 626 CG ARG A 43 1.789 2.324 7.140 1.00 0.00 C ATOM 627 CD ARG A 43 2.140 0.878 6.829 1.00 0.00 C ATOM 628 NE ARG A 43 3.394 0.766 6.088 1.00 0.00 N ATOM 629 CZ ARG A 43 3.484 0.902 4.770 1.00 0.00 C ATOM 630 NH1 ARG A 43 2.398 1.154 4.051 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.661 0.786 4.169 1.00 0.00 N ATOM 0 H ARG A 43 -0.423 3.210 5.998 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.114 3.593 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.032 2.329 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.033 1.572 7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.521 2.841 6.218 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.663 2.832 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.217 0.316 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.335 0.426 6.249 1.00 0.00 H new ATOM 0 HE ARG A 43 4.248 0.573 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.492 1.244 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.469 1.258 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.498 0.592 4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.729 0.891 3.157 1.00 0.00 H new ATOM 645 N ARG A 44 1.490 5.489 7.914 1.00 0.00 N ATOM 646 CA ARG A 44 2.289 6.596 8.427 1.00 0.00 C ATOM 647 C ARG A 44 3.094 6.165 9.650 1.00 0.00 C ATOM 648 O ARG A 44 3.156 6.882 10.649 1.00 0.00 O ATOM 649 CB ARG A 44 1.389 7.779 8.786 1.00 0.00 C ATOM 650 CG ARG A 44 1.155 8.739 7.631 1.00 0.00 C ATOM 651 CD ARG A 44 0.491 10.024 8.100 1.00 0.00 C ATOM 652 NE ARG A 44 0.686 11.119 7.154 1.00 0.00 N ATOM 653 CZ ARG A 44 0.047 12.280 7.231 1.00 0.00 C ATOM 654 NH1 ARG A 44 -0.824 12.498 8.208 1.00 0.00 N ATOM 655 NH2 ARG A 44 0.279 13.228 6.332 1.00 0.00 N ATOM 0 H ARG A 44 1.673 5.253 6.939 1.00 0.00 H new ATOM 0 HA ARG A 44 2.985 6.902 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.428 7.401 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.836 8.325 9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.106 8.973 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.530 8.259 6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.576 9.851 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.896 10.308 9.071 1.00 0.00 H new ATOM 0 HE ARG A 44 1.350 10.984 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.004 11.773 8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.314 13.391 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.949 13.065 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.213 14.120 6.392 1.00 0.00 H new ATOM 669 N LEU A 45 3.707 4.990 9.564 1.00 0.00 N ATOM 670 CA LEU A 45 4.508 4.463 10.664 1.00 0.00 C ATOM 671 C LEU A 45 5.986 4.783 10.464 1.00 0.00 C ATOM 672 O LEU A 45 6.630 4.255 9.557 1.00 0.00 O ATOM 673 CB LEU A 45 4.314 2.950 10.782 1.00 0.00 C ATOM 674 CG LEU A 45 3.115 2.491 11.613 1.00 0.00 C ATOM 675 CD1 LEU A 45 2.721 1.070 11.240 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.427 2.586 13.099 1.00 0.00 C ATOM 0 H LEU A 45 3.665 4.384 8.745 1.00 0.00 H new ATOM 0 HA LEU A 45 4.174 4.940 11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.215 2.537 9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.217 2.521 11.215 1.00 0.00 H new ATOM 0 HG LEU A 45 2.274 3.150 11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.866 0.760 11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.455 1.032 10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.559 0.399 11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.562 2.255 13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.282 1.952 13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.660 3.619 13.356 1.00 0.00 H new ATOM 688 N LYS A 46 6.519 5.651 11.318 1.00 0.00 N ATOM 689 CA LYS A 46 7.922 6.040 11.238 1.00 0.00 C ATOM 690 C LYS A 46 8.651 5.713 12.537 1.00 0.00 C ATOM 691 O LYS A 46 8.031 5.572 13.591 1.00 0.00 O ATOM 692 CB LYS A 46 8.041 7.535 10.937 1.00 0.00 C ATOM 693 CG LYS A 46 9.407 7.943 10.412 1.00 0.00 C ATOM 694 CD LYS A 46 9.428 9.401 9.985 1.00 0.00 C ATOM 695 CE LYS A 46 10.746 9.768 9.320 1.00 0.00 C ATOM 696 NZ LYS A 46 10.710 11.138 8.738 1.00 0.00 N ATOM 0 H LYS A 46 6.000 6.098 12.074 1.00 0.00 H new ATOM 0 HA LYS A 46 8.385 5.475 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.282 7.811 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.827 8.098 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.159 7.778 11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.676 7.311 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.606 9.591 9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.268 10.038 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.552 9.705 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.971 9.046 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.626 11.351 8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.958 11.191 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.521 11.830 9.491 1.00 0.00 H new ATOM 710 N CYS A 47 9.972 5.594 12.455 1.00 0.00 N ATOM 711 CA CYS A 47 10.787 5.285 13.623 1.00 0.00 C ATOM 712 C CYS A 47 11.240 6.562 14.325 1.00 0.00 C ATOM 713 O CYS A 47 11.809 7.456 13.700 1.00 0.00 O ATOM 714 CB CYS A 47 12.006 4.454 13.216 1.00 0.00 C ATOM 715 SG CYS A 47 13.048 3.927 14.614 1.00 0.00 S ATOM 0 H CYS A 47 10.501 5.707 11.590 1.00 0.00 H new ATOM 0 HA CYS A 47 10.177 4.707 14.317 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.666 3.570 12.677 1.00 0.00 H new ATOM 0 HB3 CYS A 47 12.614 5.036 12.523 1.00 0.00 H new ATOM 720 N GLU A 48 10.982 6.639 15.627 1.00 0.00 N ATOM 721 CA GLU A 48 11.363 7.807 16.412 1.00 0.00 C ATOM 722 C GLU A 48 12.828 7.727 16.832 1.00 0.00 C ATOM 723 O GLU A 48 13.262 8.427 17.746 1.00 0.00 O ATOM 724 CB GLU A 48 10.472 7.929 17.651 1.00 0.00 C ATOM 725 CG GLU A 48 10.005 6.591 18.198 1.00 0.00 C ATOM 726 CD GLU A 48 8.754 6.083 17.509 1.00 0.00 C ATOM 727 OE1 GLU A 48 7.827 6.891 17.290 1.00 0.00 O ATOM 728 OE2 GLU A 48 8.701 4.877 17.188 1.00 0.00 O ATOM 0 H GLU A 48 10.511 5.907 16.160 1.00 0.00 H new ATOM 0 HA GLU A 48 11.230 8.691 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.018 8.460 18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.601 8.535 17.403 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.803 5.857 18.082 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.813 6.687 19.267 1.00 0.00 H new ATOM 735 N PHE A 49 13.584 6.868 16.157 1.00 0.00 N ATOM 736 CA PHE A 49 15.000 6.694 16.460 1.00 0.00 C ATOM 737 C PHE A 49 15.860 7.007 15.239 1.00 0.00 C ATOM 738 O PHE A 49 16.761 7.844 15.298 1.00 0.00 O ATOM 739 CB PHE A 49 15.270 5.264 16.934 1.00 0.00 C ATOM 740 CG PHE A 49 14.258 4.760 17.923 1.00 0.00 C ATOM 741 CD1 PHE A 49 13.796 5.579 18.940 1.00 0.00 C ATOM 742 CD2 PHE A 49 13.770 3.466 17.835 1.00 0.00 C ATOM 743 CE1 PHE A 49 12.864 5.117 19.851 1.00 0.00 C ATOM 744 CE2 PHE A 49 12.838 3.000 18.743 1.00 0.00 C ATOM 745 CZ PHE A 49 12.386 3.826 19.753 1.00 0.00 C ATOM 0 H PHE A 49 13.240 6.281 15.397 1.00 0.00 H new ATOM 0 HA PHE A 49 15.263 7.390 17.257 1.00 0.00 H new ATOM 0 HB2 PHE A 49 15.284 4.600 16.070 1.00 0.00 H new ATOM 0 HB3 PHE A 49 16.261 5.220 17.386 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.168 6.590 19.022 1.00 0.00 H new ATOM 0 HD2 PHE A 49 14.122 2.815 17.049 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.510 5.766 20.639 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.463 1.990 18.663 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.660 3.462 20.465 1.00 0.00 H new ATOM 755 N CYS A 50 15.575 6.329 14.132 1.00 0.00 N ATOM 756 CA CYS A 50 16.321 6.533 12.896 1.00 0.00 C ATOM 757 C CYS A 50 15.532 7.403 11.922 1.00 0.00 C ATOM 758 O CYS A 50 16.099 7.998 11.006 1.00 0.00 O ATOM 759 CB CYS A 50 16.649 5.188 12.246 1.00 0.00 C ATOM 760 SG CYS A 50 15.187 4.262 11.677 1.00 0.00 S ATOM 0 H CYS A 50 14.832 5.633 14.066 1.00 0.00 H new ATOM 0 HA CYS A 50 17.251 7.046 13.142 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.311 5.359 11.397 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.199 4.575 12.961 1.00 0.00 H new ATOM 765 N GLY A 51 14.220 7.472 12.126 1.00 0.00 N ATOM 766 CA GLY A 51 13.375 8.271 11.259 1.00 0.00 C ATOM 767 C GLY A 51 13.101 7.593 9.931 1.00 0.00 C ATOM 768 O GLY A 51 13.276 8.195 8.871 1.00 0.00 O ATOM 0 H GLY A 51 13.727 6.988 12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.430 8.472 11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.852 9.235 11.080 1.00 0.00 H new ATOM 772 N CYS A 52 12.674 6.336 9.987 1.00 0.00 N ATOM 773 CA CYS A 52 12.378 5.574 8.779 1.00 0.00 C ATOM 774 C CYS A 52 10.945 5.054 8.801 1.00 0.00 C ATOM 775 O CYS A 52 10.391 4.777 9.865 1.00 0.00 O ATOM 776 CB CYS A 52 13.355 4.407 8.636 1.00 0.00 C ATOM 777 SG CYS A 52 14.924 4.848 7.851 1.00 0.00 S ATOM 0 H CYS A 52 12.525 5.823 10.856 1.00 0.00 H new ATOM 0 HA CYS A 52 12.490 6.239 7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.559 3.995 9.624 1.00 0.00 H new ATOM 0 HB3 CYS A 52 12.879 3.618 8.054 1.00 0.00 H new ATOM 0 HG CYS A 52 15.683 3.795 7.777 1.00 0.00 H new ATOM 783 N ASP A 53 10.350 4.925 7.621 1.00 0.00 N ATOM 784 CA ASP A 53 8.980 4.439 7.504 1.00 0.00 C ATOM 785 C ASP A 53 8.951 2.918 7.385 1.00 0.00 C ATOM 786 O ASP A 53 9.766 2.326 6.678 1.00 0.00 O ATOM 787 CB ASP A 53 8.293 5.071 6.293 1.00 0.00 C ATOM 788 CG ASP A 53 8.484 6.574 6.237 1.00 0.00 C ATOM 789 OD1 ASP A 53 9.074 7.132 7.186 1.00 0.00 O ATOM 790 OD2 ASP A 53 8.043 7.193 5.246 1.00 0.00 O ATOM 0 H ASP A 53 10.795 5.150 6.731 1.00 0.00 H new ATOM 0 HA ASP A 53 8.441 4.725 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.688 4.623 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.227 4.844 6.324 1.00 0.00 H new ATOM 795 N PHE A 54 8.008 2.293 8.081 1.00 0.00 N ATOM 796 CA PHE A 54 7.875 0.841 8.055 1.00 0.00 C ATOM 797 C PHE A 54 6.418 0.425 8.238 1.00 0.00 C ATOM 798 O PHE A 54 5.540 1.267 8.430 1.00 0.00 O ATOM 799 CB PHE A 54 8.739 0.208 9.148 1.00 0.00 C ATOM 800 CG PHE A 54 10.185 0.605 9.073 1.00 0.00 C ATOM 801 CD1 PHE A 54 11.030 0.023 8.142 1.00 0.00 C ATOM 802 CD2 PHE A 54 10.701 1.560 9.935 1.00 0.00 C ATOM 803 CE1 PHE A 54 12.362 0.387 8.070 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.031 1.927 9.868 1.00 0.00 C ATOM 805 CZ PHE A 54 12.863 1.339 8.935 1.00 0.00 C ATOM 0 H PHE A 54 7.325 2.769 8.670 1.00 0.00 H new ATOM 0 HA PHE A 54 8.216 0.488 7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.343 0.491 10.123 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.664 -0.877 9.077 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.644 -0.724 7.464 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.056 2.022 10.667 1.00 0.00 H new ATOM 0 HE1 PHE A 54 13.009 -0.073 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.420 2.673 10.545 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.903 1.624 8.882 1.00 0.00 H new ATOM 815 N SER A 55 6.169 -0.879 8.177 1.00 0.00 N ATOM 816 CA SER A 55 4.818 -1.407 8.332 1.00 0.00 C ATOM 817 C SER A 55 4.653 -2.087 9.687 1.00 0.00 C ATOM 818 O SER A 55 5.590 -2.150 10.481 1.00 0.00 O ATOM 819 CB SER A 55 4.504 -2.398 7.209 1.00 0.00 C ATOM 820 OG SER A 55 4.674 -1.799 5.937 1.00 0.00 O ATOM 0 H SER A 55 6.884 -1.589 8.021 1.00 0.00 H new ATOM 0 HA SER A 55 4.119 -0.572 8.277 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.156 -3.268 7.295 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.480 -2.756 7.312 1.00 0.00 H new ATOM 0 HG SER A 55 4.469 -2.454 5.237 1.00 0.00 H new ATOM 826 N GLY A 56 3.452 -2.596 9.945 1.00 0.00 N ATOM 827 CA GLY A 56 3.184 -3.265 11.204 1.00 0.00 C ATOM 828 C GLY A 56 3.823 -4.637 11.280 1.00 0.00 C ATOM 829 O GLY A 56 4.056 -5.161 12.368 1.00 0.00 O ATOM 0 H GLY A 56 2.660 -2.557 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.553 -2.650 12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.107 -3.362 11.338 1.00 0.00 H new ATOM 833 N GLU A 57 4.106 -5.221 10.119 1.00 0.00 N ATOM 834 CA GLU A 57 4.719 -6.543 10.059 1.00 0.00 C ATOM 835 C GLU A 57 6.240 -6.440 10.128 1.00 0.00 C ATOM 836 O GLU A 57 6.916 -7.364 10.578 1.00 0.00 O ATOM 837 CB GLU A 57 4.303 -7.265 8.776 1.00 0.00 C ATOM 838 CG GLU A 57 5.278 -8.348 8.344 1.00 0.00 C ATOM 839 CD GLU A 57 4.903 -8.974 7.015 1.00 0.00 C ATOM 840 OE1 GLU A 57 3.912 -8.521 6.404 1.00 0.00 O ATOM 841 OE2 GLU A 57 5.600 -9.917 6.586 1.00 0.00 O ATOM 0 H GLU A 57 3.921 -4.800 9.209 1.00 0.00 H new ATOM 0 HA GLU A 57 4.371 -7.116 10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.319 -7.711 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.205 -6.534 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.279 -7.923 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.316 -9.124 9.109 1.00 0.00 H new ATOM 848 N ALA A 58 6.772 -5.308 9.677 1.00 0.00 N ATOM 849 CA ALA A 58 8.212 -5.083 9.688 1.00 0.00 C ATOM 850 C ALA A 58 8.630 -4.266 10.905 1.00 0.00 C ATOM 851 O ALA A 58 9.536 -4.654 11.644 1.00 0.00 O ATOM 852 CB ALA A 58 8.646 -4.385 8.407 1.00 0.00 C ATOM 0 H ALA A 58 6.227 -4.533 9.300 1.00 0.00 H new ATOM 0 HA ALA A 58 8.707 -6.053 9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.724 -4.223 8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.389 -5.006 7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.136 -3.425 8.325 1.00 0.00 H new ATOM 858 N TYR A 59 7.967 -3.134 11.109 1.00 0.00 N ATOM 859 CA TYR A 59 8.272 -2.261 12.236 1.00 0.00 C ATOM 860 C TYR A 59 8.457 -3.069 13.517 1.00 0.00 C ATOM 861 O TYR A 59 9.206 -2.674 14.410 1.00 0.00 O ATOM 862 CB TYR A 59 7.158 -1.230 12.427 1.00 0.00 C ATOM 863 CG TYR A 59 7.372 -0.321 13.616 1.00 0.00 C ATOM 864 CD1 TYR A 59 8.647 -0.081 14.112 1.00 0.00 C ATOM 865 CD2 TYR A 59 6.298 0.300 14.242 1.00 0.00 C ATOM 866 CE1 TYR A 59 8.846 0.748 15.199 1.00 0.00 C ATOM 867 CE2 TYR A 59 6.488 1.132 15.328 1.00 0.00 C ATOM 868 CZ TYR A 59 7.764 1.353 15.803 1.00 0.00 C ATOM 869 OH TYR A 59 7.959 2.181 16.885 1.00 0.00 O ATOM 0 H TYR A 59 7.214 -2.799 10.508 1.00 0.00 H new ATOM 0 HA TYR A 59 9.205 -1.741 12.017 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.078 -0.622 11.526 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.208 -1.751 12.545 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.497 -0.550 13.640 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.297 0.129 13.873 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.844 0.921 15.574 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.642 1.607 15.803 1.00 0.00 H new ATOM 0 HH TYR A 59 8.653 1.804 17.465 1.00 0.00 H new ATOM 879 N GLU A 60 7.769 -4.204 13.598 1.00 0.00 N ATOM 880 CA GLU A 60 7.857 -5.068 14.769 1.00 0.00 C ATOM 881 C GLU A 60 9.295 -5.522 15.003 1.00 0.00 C ATOM 882 O GLU A 60 9.834 -5.373 16.100 1.00 0.00 O ATOM 883 CB GLU A 60 6.947 -6.287 14.600 1.00 0.00 C ATOM 884 CG GLU A 60 5.531 -6.062 15.103 1.00 0.00 C ATOM 885 CD GLU A 60 5.376 -6.386 16.576 1.00 0.00 C ATOM 886 OE1 GLU A 60 6.166 -7.205 17.090 1.00 0.00 O ATOM 887 OE2 GLU A 60 4.465 -5.818 17.215 1.00 0.00 O ATOM 0 H GLU A 60 7.145 -4.546 12.867 1.00 0.00 H new ATOM 0 HA GLU A 60 7.529 -4.496 15.637 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.910 -6.559 13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.383 -7.132 15.132 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.250 -5.023 14.932 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.842 -6.678 14.525 1.00 0.00 H new ATOM 894 N SER A 61 9.911 -6.078 13.964 1.00 0.00 N ATOM 895 CA SER A 61 11.285 -6.558 14.057 1.00 0.00 C ATOM 896 C SER A 61 12.265 -5.391 14.127 1.00 0.00 C ATOM 897 O SER A 61 13.422 -5.559 14.511 1.00 0.00 O ATOM 898 CB SER A 61 11.618 -7.447 12.857 1.00 0.00 C ATOM 899 OG SER A 61 12.944 -7.940 12.941 1.00 0.00 O ATOM 0 H SER A 61 9.480 -6.207 13.048 1.00 0.00 H new ATOM 0 HA SER A 61 11.379 -7.143 14.972 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.918 -8.282 12.813 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.495 -6.879 11.935 1.00 0.00 H new ATOM 0 HG SER A 61 13.132 -8.506 12.164 1.00 0.00 H new ATOM 905 N HIS A 62 11.792 -4.206 13.754 1.00 0.00 N ATOM 906 CA HIS A 62 12.625 -3.009 13.775 1.00 0.00 C ATOM 907 C HIS A 62 12.678 -2.408 15.176 1.00 0.00 C ATOM 908 O HIS A 62 13.604 -1.670 15.510 1.00 0.00 O ATOM 909 CB HIS A 62 12.093 -1.974 12.783 1.00 0.00 C ATOM 910 CG HIS A 62 12.987 -0.783 12.624 1.00 0.00 C ATOM 911 ND1 HIS A 62 13.960 -0.697 11.650 1.00 0.00 N ATOM 912 CD2 HIS A 62 13.050 0.377 13.319 1.00 0.00 C ATOM 913 CE1 HIS A 62 14.584 0.462 11.755 1.00 0.00 C ATOM 914 NE2 HIS A 62 14.051 1.133 12.760 1.00 0.00 N ATOM 0 H HIS A 62 10.836 -4.049 13.434 1.00 0.00 H new ATOM 0 HA HIS A 62 13.636 -3.295 13.483 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.959 -2.449 11.811 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.110 -1.639 13.113 1.00 0.00 H new ATOM 0 HD1 HIS A 62 14.165 -1.416 10.957 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.429 0.656 14.157 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.393 0.803 11.126 1.00 0.00 H new ATOM 922 N GLU A 63 11.678 -2.730 15.991 1.00 0.00 N ATOM 923 CA GLU A 63 11.611 -2.221 17.356 1.00 0.00 C ATOM 924 C GLU A 63 12.563 -2.987 18.270 1.00 0.00 C ATOM 925 O GLU A 63 12.577 -4.217 18.278 1.00 0.00 O ATOM 926 CB GLU A 63 10.181 -2.320 17.891 1.00 0.00 C ATOM 927 CG GLU A 63 9.937 -1.478 19.132 1.00 0.00 C ATOM 928 CD GLU A 63 10.435 -0.054 18.979 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.932 0.659 18.086 1.00 0.00 O ATOM 930 OE2 GLU A 63 11.330 0.347 19.753 1.00 0.00 O ATOM 0 H GLU A 63 10.904 -3.341 15.730 1.00 0.00 H new ATOM 0 HA GLU A 63 11.914 -1.174 17.342 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.487 -2.010 17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.959 -3.362 18.120 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.870 -1.464 19.353 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.432 -1.942 19.985 1.00 0.00 H new ATOM 937 N GLY A 64 13.358 -2.249 19.039 1.00 0.00 N ATOM 938 CA GLY A 64 14.302 -2.875 19.946 1.00 0.00 C ATOM 939 C GLY A 64 15.734 -2.766 19.459 1.00 0.00 C ATOM 940 O GLY A 64 16.651 -2.553 20.251 1.00 0.00 O ATOM 0 H GLY A 64 13.365 -1.229 19.050 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.219 -2.411 20.929 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.042 -3.927 20.067 1.00 0.00 H new ATOM 944 N MET A 65 15.925 -2.914 18.152 1.00 0.00 N ATOM 945 CA MET A 65 17.256 -2.831 17.561 1.00 0.00 C ATOM 946 C MET A 65 17.442 -1.508 16.825 1.00 0.00 C ATOM 947 O MET A 65 18.128 -0.607 17.310 1.00 0.00 O ATOM 948 CB MET A 65 17.484 -3.999 16.600 1.00 0.00 C ATOM 949 CG MET A 65 18.524 -3.711 15.529 1.00 0.00 C ATOM 950 SD MET A 65 19.306 -5.208 14.900 1.00 0.00 S ATOM 951 CE MET A 65 18.139 -5.692 13.631 1.00 0.00 C ATOM 0 H MET A 65 15.176 -3.092 17.483 1.00 0.00 H new ATOM 0 HA MET A 65 17.988 -2.885 18.367 1.00 0.00 H new ATOM 0 HB2 MET A 65 17.795 -4.873 17.171 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.539 -4.253 16.119 1.00 0.00 H new ATOM 0 HG2 MET A 65 18.052 -3.178 14.704 1.00 0.00 H new ATOM 0 HG3 MET A 65 19.289 -3.051 15.939 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.485 -6.606 13.148 1.00 0.00 H new ATOM 0 HE2 MET A 65 17.162 -5.867 14.082 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.058 -4.898 12.889 1.00 0.00 H new ATOM 961 N CYS A 66 16.828 -1.397 15.652 1.00 0.00 N ATOM 962 CA CYS A 66 16.926 -0.184 14.848 1.00 0.00 C ATOM 963 C CYS A 66 18.377 0.105 14.476 1.00 0.00 C ATOM 964 O CYS A 66 19.293 -0.040 15.286 1.00 0.00 O ATOM 965 CB CYS A 66 16.336 1.005 15.608 1.00 0.00 C ATOM 966 SG CYS A 66 16.664 2.620 14.831 1.00 0.00 S ATOM 0 H CYS A 66 16.257 -2.133 15.236 1.00 0.00 H new ATOM 0 HA CYS A 66 16.358 -0.338 13.931 1.00 0.00 H new ATOM 0 HB2 CYS A 66 15.258 0.868 15.696 1.00 0.00 H new ATOM 0 HB3 CYS A 66 16.740 1.012 16.620 1.00 0.00 H new ATOM 971 N PRO A 67 18.594 0.525 13.221 1.00 0.00 N ATOM 972 CA PRO A 67 19.931 0.844 12.712 1.00 0.00 C ATOM 973 C PRO A 67 20.502 2.112 13.338 1.00 0.00 C ATOM 974 O PRO A 67 21.705 2.210 13.575 1.00 0.00 O ATOM 975 CB PRO A 67 19.701 1.046 11.212 1.00 0.00 C ATOM 976 CG PRO A 67 18.270 1.445 11.098 1.00 0.00 C ATOM 977 CD PRO A 67 17.549 0.720 12.201 1.00 0.00 C ATOM 0 HA PRO A 67 20.653 0.061 12.945 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.360 1.816 10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.903 0.132 10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.156 2.524 11.201 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.866 1.173 10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.714 1.305 12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.141 -0.230 11.857 1.00 0.00 H new ATOM 985 N GLN A 68 19.630 3.080 13.604 1.00 0.00 N ATOM 986 CA GLN A 68 20.048 4.341 14.203 1.00 0.00 C ATOM 987 C GLN A 68 19.264 4.625 15.480 1.00 0.00 C ATOM 988 O GLN A 68 18.360 5.460 15.491 1.00 0.00 O ATOM 989 CB GLN A 68 19.861 5.489 13.210 1.00 0.00 C ATOM 990 CG GLN A 68 21.079 5.744 12.337 1.00 0.00 C ATOM 991 CD GLN A 68 21.437 4.551 11.472 1.00 0.00 C ATOM 992 OE1 GLN A 68 20.612 4.059 10.701 1.00 0.00 O ATOM 993 NE2 GLN A 68 22.672 4.079 11.596 1.00 0.00 N ATOM 0 H GLN A 68 18.630 3.014 13.414 1.00 0.00 H new ATOM 0 HA GLN A 68 21.105 4.259 14.458 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.006 5.269 12.571 1.00 0.00 H new ATOM 0 HB3 GLN A 68 19.622 6.399 13.760 1.00 0.00 H new ATOM 0 HG2 GLN A 68 20.890 6.607 11.699 1.00 0.00 H new ATOM 0 HG3 GLN A 68 21.929 5.997 12.971 1.00 0.00 H new ATOM 0 HE21 GLN A 68 23.323 4.518 12.247 1.00 0.00 H new ATOM 0 HE22 GLN A 68 22.970 3.278 11.040 1.00 0.00 H new ATOM 1002 N GLU A 69 19.615 3.923 16.553 1.00 0.00 N ATOM 1003 CA GLU A 69 18.942 4.100 17.834 1.00 0.00 C ATOM 1004 C GLU A 69 19.336 5.426 18.478 1.00 0.00 C ATOM 1005 O GLU A 69 18.602 5.971 19.302 1.00 0.00 O ATOM 1006 CB GLU A 69 19.279 2.942 18.777 1.00 0.00 C ATOM 1007 CG GLU A 69 18.500 2.972 20.080 1.00 0.00 C ATOM 1008 CD GLU A 69 18.885 1.843 21.016 1.00 0.00 C ATOM 1009 OE1 GLU A 69 19.291 0.772 20.519 1.00 0.00 O ATOM 1010 OE2 GLU A 69 18.781 2.031 22.247 1.00 0.00 O ATOM 0 H GLU A 69 20.361 3.227 16.560 1.00 0.00 H new ATOM 0 HA GLU A 69 17.867 4.110 17.652 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.081 2.000 18.267 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.346 2.965 19.001 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.670 3.926 20.579 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.434 2.911 19.863 1.00 0.00 H new ATOM 1017 N SER A 70 20.501 5.939 18.096 1.00 0.00 N ATOM 1018 CA SER A 70 20.997 7.199 18.638 1.00 0.00 C ATOM 1019 C SER A 70 21.153 8.241 17.535 1.00 0.00 C ATOM 1020 O SER A 70 20.847 7.980 16.372 1.00 0.00 O ATOM 1021 CB SER A 70 22.336 6.983 19.345 1.00 0.00 C ATOM 1022 OG SER A 70 22.150 6.406 20.626 1.00 0.00 O ATOM 0 H SER A 70 21.119 5.501 17.413 1.00 0.00 H new ATOM 0 HA SER A 70 20.269 7.567 19.361 1.00 0.00 H new ATOM 0 HB2 SER A 70 22.970 6.335 18.740 1.00 0.00 H new ATOM 0 HB3 SER A 70 22.856 7.936 19.444 1.00 0.00 H new ATOM 0 HG SER A 70 23.021 6.277 21.056 1.00 0.00 H new ATOM 1028 N SER A 71 21.632 9.423 17.910 1.00 0.00 N ATOM 1029 CA SER A 71 21.826 10.507 16.955 1.00 0.00 C ATOM 1030 C SER A 71 23.115 10.309 16.163 1.00 0.00 C ATOM 1031 O SER A 71 24.211 10.539 16.672 1.00 0.00 O ATOM 1032 CB SER A 71 21.861 11.854 17.680 1.00 0.00 C ATOM 1033 OG SER A 71 23.033 11.979 18.467 1.00 0.00 O ATOM 0 H SER A 71 21.893 9.654 18.869 1.00 0.00 H new ATOM 0 HA SER A 71 20.987 10.499 16.259 1.00 0.00 H new ATOM 0 HB2 SER A 71 21.820 12.664 16.952 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.981 11.952 18.315 1.00 0.00 H new ATOM 0 HG SER A 71 23.799 11.622 17.972 1.00 0.00 H new ATOM 1039 N GLY A 72 22.974 9.880 14.912 1.00 0.00 N ATOM 1040 CA GLY A 72 24.133 9.657 14.069 1.00 0.00 C ATOM 1041 C GLY A 72 24.943 10.921 13.851 1.00 0.00 C ATOM 1042 O GLY A 72 24.668 11.968 14.437 1.00 0.00 O ATOM 0 H GLY A 72 22.077 9.683 14.468 1.00 0.00 H new ATOM 0 HA2 GLY A 72 24.768 8.896 14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 72 23.808 9.267 13.105 1.00 0.00 H new ATOM 1046 N PRO A 73 25.967 10.830 12.990 1.00 0.00 N ATOM 1047 CA PRO A 73 26.841 11.965 12.677 1.00 0.00 C ATOM 1048 C PRO A 73 26.126 13.040 11.865 1.00 0.00 C ATOM 1049 O PRO A 73 26.339 13.165 10.659 1.00 0.00 O ATOM 1050 CB PRO A 73 27.965 11.331 11.853 1.00 0.00 C ATOM 1051 CG PRO A 73 27.352 10.114 11.251 1.00 0.00 C ATOM 1052 CD PRO A 73 26.352 9.613 12.256 1.00 0.00 C ATOM 0 HA PRO A 73 27.188 12.472 13.577 1.00 0.00 H new ATOM 0 HB2 PRO A 73 28.326 12.014 11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 73 28.820 11.075 12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 73 26.868 10.349 10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 73 28.109 9.358 11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 73 25.494 9.148 11.771 1.00 0.00 H new ATOM 0 HD3 PRO A 73 26.788 8.865 12.918 1.00 0.00 H new ATOM 1060 N SER A 74 25.278 13.815 12.535 1.00 0.00 N ATOM 1061 CA SER A 74 24.530 14.877 11.874 1.00 0.00 C ATOM 1062 C SER A 74 24.929 16.244 12.422 1.00 0.00 C ATOM 1063 O SER A 74 24.930 17.240 11.697 1.00 0.00 O ATOM 1064 CB SER A 74 23.026 14.661 12.057 1.00 0.00 C ATOM 1065 OG SER A 74 22.570 13.567 11.280 1.00 0.00 O ATOM 0 H SER A 74 25.093 13.727 13.534 1.00 0.00 H new ATOM 0 HA SER A 74 24.767 14.847 10.811 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.807 14.480 13.109 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.488 15.564 11.770 1.00 0.00 H new ATOM 0 HG SER A 74 21.607 13.448 11.416 1.00 0.00 H new ATOM 1071 N SER A 75 25.267 16.284 13.706 1.00 0.00 N ATOM 1072 CA SER A 75 25.664 17.529 14.354 1.00 0.00 C ATOM 1073 C SER A 75 27.026 17.381 15.026 1.00 0.00 C ATOM 1074 O SER A 75 27.344 16.333 15.587 1.00 0.00 O ATOM 1075 CB SER A 75 24.616 17.949 15.387 1.00 0.00 C ATOM 1076 OG SER A 75 24.031 16.818 16.008 1.00 0.00 O ATOM 0 H SER A 75 25.274 15.469 14.319 1.00 0.00 H new ATOM 0 HA SER A 75 25.738 18.301 13.588 1.00 0.00 H new ATOM 0 HB2 SER A 75 25.079 18.584 16.142 1.00 0.00 H new ATOM 0 HB3 SER A 75 23.841 18.543 14.903 1.00 0.00 H new ATOM 0 HG SER A 75 23.366 17.113 16.665 1.00 0.00 H new ATOM 1082 N GLY A 76 27.828 18.440 14.964 1.00 0.00 N ATOM 1083 CA GLY A 76 29.146 18.409 15.570 1.00 0.00 C ATOM 1084 C GLY A 76 30.258 18.507 14.544 1.00 0.00 C ATOM 1085 O GLY A 76 30.637 19.618 14.176 1.00 0.00 O ATOM 0 H GLY A 76 27.588 19.319 14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 76 29.236 19.232 16.279 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.260 17.486 16.138 1.00 0.00 H new TER 1089 GLY A 76 HETATM 1090 ZN ZN A 201 -5.907 2.854 6.486 1.00 0.00 ZN HETATM 1091 ZN ZN A 401 14.765 2.815 13.459 1.00 0.00 ZN