USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 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 37 GLN : amide:sc= 0 X(o=-0.02,f=-0.02) USER MOD Set 1.2: A 38 HIS :FLIP no HD1:sc= -0.0204 X(o=-0.51,f=-0.02) USER MOD Set 2.1: A 8 HIS : no HE2:sc= 0.00173 K(o=-1.6,f=-2.1) USER MOD Set 2.2: A 10 ASN : amide:sc= -1.56! C(o=-1.6!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.093 (180deg=0) USER MOD Single : A 2 SER OG : rot -82:sc= 0.00334 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -55:sc= 0.753 USER MOD Single : A 15 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.44) USER MOD Single : A 21 ASN : amide:sc= -4.68! C(o=-4.7!,f=-8!) USER MOD Single : A 25 MET CE :methyl -165:sc= -2.2! (180deg=-3.13!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.52! USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.398 (180deg=-1.55!) USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= 0.299 (180deg=-1.23!) USER MOD Single : A 52 CYS SG : rot 95:sc= 0.466 USER MOD Single : A 55 SER OG : rot 120:sc= -2.6 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 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= -0.554 X(o=-0.55,f=-0.69) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 55:sc= -0.185 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0868 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.598 -8.195 3.554 1.00 0.00 N ATOM 2 CA GLY A 1 2.827 -8.456 2.352 1.00 0.00 C ATOM 3 C GLY A 1 1.427 -7.878 2.425 1.00 0.00 C ATOM 4 O GLY A 1 0.954 -7.514 3.501 1.00 0.00 O ATOM 0 H1 GLY A 1 4.381 -7.548 3.331 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.984 -7.761 4.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.982 -9.089 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.347 -8.034 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.765 -9.532 2.190 1.00 0.00 H new ATOM 8 N SER A 2 0.764 -7.791 1.276 1.00 0.00 N ATOM 9 CA SER A 2 -0.588 -7.248 1.213 1.00 0.00 C ATOM 10 C SER A 2 -1.531 -8.218 0.509 1.00 0.00 C ATOM 11 O SER A 2 -1.235 -8.709 -0.581 1.00 0.00 O ATOM 12 CB SER A 2 -0.586 -5.902 0.485 1.00 0.00 C ATOM 13 OG SER A 2 -1.893 -5.360 0.411 1.00 0.00 O ATOM 0 H SER A 2 1.141 -8.089 0.376 1.00 0.00 H new ATOM 0 HA SER A 2 -0.942 -7.101 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.071 -5.205 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.184 -6.029 -0.520 1.00 0.00 H new ATOM 0 HG SER A 2 -2.376 -5.771 -0.336 1.00 0.00 H new ATOM 19 N SER A 3 -2.669 -8.490 1.139 1.00 0.00 N ATOM 20 CA SER A 3 -3.655 -9.405 0.576 1.00 0.00 C ATOM 21 C SER A 3 -4.665 -8.652 -0.285 1.00 0.00 C ATOM 22 O SER A 3 -4.889 -8.998 -1.444 1.00 0.00 O ATOM 23 CB SER A 3 -4.381 -10.156 1.693 1.00 0.00 C ATOM 24 OG SER A 3 -5.627 -10.660 1.243 1.00 0.00 O ATOM 0 H SER A 3 -2.931 -8.090 2.040 1.00 0.00 H new ATOM 0 HA SER A 3 -3.130 -10.123 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.759 -10.978 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.540 -9.489 2.540 1.00 0.00 H new ATOM 0 HG SER A 3 -6.071 -11.137 1.975 1.00 0.00 H new ATOM 30 N GLY A 4 -5.271 -7.618 0.291 1.00 0.00 N ATOM 31 CA GLY A 4 -6.250 -6.832 -0.437 1.00 0.00 C ATOM 32 C GLY A 4 -5.607 -5.804 -1.347 1.00 0.00 C ATOM 33 O GLY A 4 -4.397 -5.836 -1.573 1.00 0.00 O ATOM 0 H GLY A 4 -5.101 -7.311 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.877 -7.497 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.905 -6.326 0.272 1.00 0.00 H new ATOM 37 N SER A 5 -6.418 -4.892 -1.873 1.00 0.00 N ATOM 38 CA SER A 5 -5.921 -3.854 -2.768 1.00 0.00 C ATOM 39 C SER A 5 -6.915 -2.701 -2.867 1.00 0.00 C ATOM 40 O SER A 5 -8.110 -2.874 -2.625 1.00 0.00 O ATOM 41 CB SER A 5 -5.657 -4.434 -4.159 1.00 0.00 C ATOM 42 OG SER A 5 -6.824 -5.036 -4.691 1.00 0.00 O ATOM 0 H SER A 5 -7.421 -4.851 -1.695 1.00 0.00 H new ATOM 0 HA SER A 5 -4.986 -3.472 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.315 -3.643 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.857 -5.172 -4.103 1.00 0.00 H new ATOM 0 HG SER A 5 -6.629 -5.397 -5.581 1.00 0.00 H new ATOM 48 N SER A 6 -6.413 -1.523 -3.223 1.00 0.00 N ATOM 49 CA SER A 6 -7.255 -0.339 -3.350 1.00 0.00 C ATOM 50 C SER A 6 -8.140 -0.433 -4.589 1.00 0.00 C ATOM 51 O SER A 6 -7.761 -1.034 -5.593 1.00 0.00 O ATOM 52 CB SER A 6 -6.391 0.922 -3.421 1.00 0.00 C ATOM 53 OG SER A 6 -7.185 2.071 -3.659 1.00 0.00 O ATOM 0 H SER A 6 -5.427 -1.363 -3.429 1.00 0.00 H new ATOM 0 HA SER A 6 -7.896 -0.283 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.841 1.043 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.652 0.816 -4.215 1.00 0.00 H new ATOM 0 HG SER A 6 -6.610 2.864 -3.698 1.00 0.00 H new ATOM 59 N GLY A 7 -9.324 0.167 -4.509 1.00 0.00 N ATOM 60 CA GLY A 7 -10.247 0.140 -5.629 1.00 0.00 C ATOM 61 C GLY A 7 -11.338 -0.898 -5.456 1.00 0.00 C ATOM 62 O GLY A 7 -11.235 -2.010 -5.974 1.00 0.00 O ATOM 0 H GLY A 7 -9.660 0.671 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.701 1.124 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.695 -0.067 -6.546 1.00 0.00 H new ATOM 66 N HIS A 8 -12.388 -0.535 -4.725 1.00 0.00 N ATOM 67 CA HIS A 8 -13.503 -1.443 -4.485 1.00 0.00 C ATOM 68 C HIS A 8 -14.745 -0.674 -4.043 1.00 0.00 C ATOM 69 O HIS A 8 -14.663 0.233 -3.214 1.00 0.00 O ATOM 70 CB HIS A 8 -13.126 -2.478 -3.424 1.00 0.00 C ATOM 71 CG HIS A 8 -14.216 -3.463 -3.134 1.00 0.00 C ATOM 72 ND1 HIS A 8 -14.792 -4.255 -4.104 1.00 0.00 N ATOM 73 CD2 HIS A 8 -14.834 -3.782 -1.972 1.00 0.00 C ATOM 74 CE1 HIS A 8 -15.719 -5.019 -3.552 1.00 0.00 C ATOM 75 NE2 HIS A 8 -15.764 -4.751 -2.259 1.00 0.00 N ATOM 0 H HIS A 8 -12.489 0.382 -4.289 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.729 -1.957 -5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.238 -3.018 -3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.860 -1.961 -2.502 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -14.542 -4.252 -5.093 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.633 -3.354 -1.001 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.335 -5.740 -4.070 1.00 0.00 H new ATOM 83 N LEU A 9 -15.892 -1.043 -4.602 1.00 0.00 N ATOM 84 CA LEU A 9 -17.151 -0.387 -4.267 1.00 0.00 C ATOM 85 C LEU A 9 -18.221 -1.413 -3.908 1.00 0.00 C ATOM 86 O LEU A 9 -17.980 -2.619 -3.957 1.00 0.00 O ATOM 87 CB LEU A 9 -17.628 0.475 -5.437 1.00 0.00 C ATOM 88 CG LEU A 9 -18.260 -0.275 -6.610 1.00 0.00 C ATOM 89 CD1 LEU A 9 -17.453 -1.520 -6.944 1.00 0.00 C ATOM 90 CD2 LEU A 9 -19.703 -0.642 -6.293 1.00 0.00 C ATOM 0 H LEU A 9 -15.976 -1.792 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.979 0.251 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.354 1.195 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.778 1.045 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.255 0.381 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.918 -2.041 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.437 -1.233 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.425 -2.179 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -20.137 -1.175 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -19.731 -1.280 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -20.276 0.266 -6.103 1.00 0.00 H new ATOM 102 N ASN A 10 -19.405 -0.927 -3.549 1.00 0.00 N ATOM 103 CA ASN A 10 -20.512 -1.802 -3.184 1.00 0.00 C ATOM 104 C ASN A 10 -21.853 -1.136 -3.481 1.00 0.00 C ATOM 105 O ASN A 10 -21.907 0.034 -3.859 1.00 0.00 O ATOM 106 CB ASN A 10 -20.431 -2.171 -1.701 1.00 0.00 C ATOM 107 CG ASN A 10 -19.020 -2.522 -1.269 1.00 0.00 C ATOM 108 OD1 ASN A 10 -18.197 -1.640 -1.020 1.00 0.00 O ATOM 109 ND2 ASN A 10 -18.734 -3.816 -1.179 1.00 0.00 N ATOM 0 H ASN A 10 -19.622 0.069 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 10 -20.437 -2.710 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -20.795 -1.337 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.090 -3.017 -1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.801 -4.113 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -19.447 -4.512 -1.395 1.00 0.00 H new ATOM 116 N THR A 11 -22.933 -1.890 -3.306 1.00 0.00 N ATOM 117 CA THR A 11 -24.273 -1.375 -3.555 1.00 0.00 C ATOM 118 C THR A 11 -25.163 -1.538 -2.328 1.00 0.00 C ATOM 119 O THR A 11 -26.187 -0.866 -2.197 1.00 0.00 O ATOM 120 CB THR A 11 -24.935 -2.084 -4.752 1.00 0.00 C ATOM 121 OG1 THR A 11 -26.235 -1.533 -4.990 1.00 0.00 O ATOM 122 CG2 THR A 11 -25.051 -3.579 -4.498 1.00 0.00 C ATOM 0 H THR A 11 -22.906 -2.860 -2.993 1.00 0.00 H new ATOM 0 HA THR A 11 -24.165 -0.315 -3.784 1.00 0.00 H new ATOM 0 HB THR A 11 -24.309 -1.928 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 11 -26.648 -1.988 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 11 -25.521 -4.059 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 11 -24.057 -4.000 -4.346 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.658 -3.751 -3.609 1.00 0.00 H new ATOM 130 N CYS A 12 -24.765 -2.433 -1.430 1.00 0.00 N ATOM 131 CA CYS A 12 -25.527 -2.684 -0.212 1.00 0.00 C ATOM 132 C CYS A 12 -25.061 -1.773 0.919 1.00 0.00 C ATOM 133 O CYS A 12 -25.870 -1.278 1.704 1.00 0.00 O ATOM 134 CB CYS A 12 -25.389 -4.149 0.207 1.00 0.00 C ATOM 135 SG CYS A 12 -25.573 -4.428 1.984 1.00 0.00 S ATOM 0 H CYS A 12 -23.920 -2.996 -1.523 1.00 0.00 H new ATOM 0 HA CYS A 12 -26.576 -2.469 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -26.137 -4.739 -0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -24.412 -4.516 -0.108 1.00 0.00 H new ATOM 0 HG CYS A 12 -25.442 -5.696 2.240 1.00 0.00 H new ATOM 141 N SER A 13 -23.752 -1.557 0.996 1.00 0.00 N ATOM 142 CA SER A 13 -23.177 -0.709 2.034 1.00 0.00 C ATOM 143 C SER A 13 -23.247 -1.395 3.396 1.00 0.00 C ATOM 144 O SER A 13 -24.331 -1.678 3.906 1.00 0.00 O ATOM 145 CB SER A 13 -23.908 0.633 2.089 1.00 0.00 C ATOM 146 OG SER A 13 -24.757 0.707 3.221 1.00 0.00 O ATOM 0 H SER A 13 -23.070 -1.957 0.352 1.00 0.00 H new ATOM 0 HA SER A 13 -22.130 -0.534 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.182 1.445 2.122 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.496 0.768 1.181 1.00 0.00 H new ATOM 0 HG SER A 13 -25.377 -0.052 3.215 1.00 0.00 H new ATOM 152 N PHE A 14 -22.082 -1.660 3.978 1.00 0.00 N ATOM 153 CA PHE A 14 -22.009 -2.313 5.280 1.00 0.00 C ATOM 154 C PHE A 14 -21.853 -1.285 6.397 1.00 0.00 C ATOM 155 O PHE A 14 -21.678 -0.095 6.139 1.00 0.00 O ATOM 156 CB PHE A 14 -20.842 -3.301 5.314 1.00 0.00 C ATOM 157 CG PHE A 14 -21.127 -4.591 4.599 1.00 0.00 C ATOM 158 CD1 PHE A 14 -21.512 -4.590 3.268 1.00 0.00 C ATOM 159 CD2 PHE A 14 -21.011 -5.804 5.259 1.00 0.00 C ATOM 160 CE1 PHE A 14 -21.775 -5.775 2.607 1.00 0.00 C ATOM 161 CE2 PHE A 14 -21.272 -6.992 4.603 1.00 0.00 C ATOM 162 CZ PHE A 14 -21.655 -6.978 3.276 1.00 0.00 C ATOM 0 H PHE A 14 -21.176 -1.433 3.569 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.941 -2.856 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.966 -2.832 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.591 -3.518 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.608 -3.652 2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.713 -5.821 6.297 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.074 -5.761 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.177 -7.931 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.860 -7.906 2.762 1.00 0.00 H new ATOM 172 N ASN A 15 -21.918 -1.754 7.638 1.00 0.00 N ATOM 173 CA ASN A 15 -21.785 -0.876 8.795 1.00 0.00 C ATOM 174 C ASN A 15 -20.348 -0.864 9.307 1.00 0.00 C ATOM 175 O ASN A 15 -19.949 -1.726 10.090 1.00 0.00 O ATOM 176 CB ASN A 15 -22.732 -1.321 9.911 1.00 0.00 C ATOM 177 CG ASN A 15 -22.500 -0.562 11.204 1.00 0.00 C ATOM 178 OD1 ASN A 15 -22.158 0.621 11.189 1.00 0.00 O ATOM 179 ND2 ASN A 15 -22.687 -1.240 12.330 1.00 0.00 N ATOM 0 H ASN A 15 -22.062 -2.737 7.869 1.00 0.00 H new ATOM 0 HA ASN A 15 -22.050 0.135 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -23.763 -1.176 9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -22.601 -2.388 10.091 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -22.547 -0.782 13.230 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -22.970 -2.219 12.295 1.00 0.00 H new ATOM 186 N VAL A 16 -19.574 0.119 8.859 1.00 0.00 N ATOM 187 CA VAL A 16 -18.181 0.245 9.272 1.00 0.00 C ATOM 188 C VAL A 16 -17.787 1.708 9.438 1.00 0.00 C ATOM 189 O VAL A 16 -18.623 2.604 9.316 1.00 0.00 O ATOM 190 CB VAL A 16 -17.232 -0.419 8.256 1.00 0.00 C ATOM 191 CG1 VAL A 16 -17.909 -1.607 7.590 1.00 0.00 C ATOM 192 CG2 VAL A 16 -16.771 0.593 7.219 1.00 0.00 C ATOM 0 H VAL A 16 -19.888 0.840 8.210 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.088 -0.264 10.231 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.354 -0.784 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.223 -2.063 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -18.185 -2.341 8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -18.805 -1.270 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.101 0.107 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -17.636 0.990 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -16.244 1.408 7.715 1.00 0.00 H new ATOM 202 N ILE A 17 -16.509 1.943 9.716 1.00 0.00 N ATOM 203 CA ILE A 17 -16.004 3.298 9.897 1.00 0.00 C ATOM 204 C ILE A 17 -14.748 3.532 9.064 1.00 0.00 C ATOM 205 O ILE A 17 -13.982 2.611 8.778 1.00 0.00 O ATOM 206 CB ILE A 17 -15.687 3.588 11.376 1.00 0.00 C ATOM 207 CG1 ILE A 17 -14.742 2.523 11.936 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.971 3.646 12.191 1.00 0.00 C ATOM 209 CD1 ILE A 17 -14.053 2.940 13.216 1.00 0.00 C ATOM 0 H ILE A 17 -15.805 1.213 9.821 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.790 3.975 9.563 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.193 4.557 11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.306 1.608 12.118 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.987 2.288 11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.731 3.852 13.234 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.613 4.437 11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.491 2.690 12.120 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.399 2.137 13.555 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.462 3.838 13.035 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.801 3.147 13.981 1.00 0.00 H new ATOM 221 N PRO A 18 -14.528 4.794 8.667 1.00 0.00 N ATOM 222 CA PRO A 18 -13.364 5.180 7.864 1.00 0.00 C ATOM 223 C PRO A 18 -12.062 5.098 8.653 1.00 0.00 C ATOM 224 O PRO A 18 -12.054 5.250 9.875 1.00 0.00 O ATOM 225 CB PRO A 18 -13.664 6.630 7.478 1.00 0.00 C ATOM 226 CG PRO A 18 -14.575 7.126 8.547 1.00 0.00 C ATOM 227 CD PRO A 18 -15.398 5.942 8.972 1.00 0.00 C ATOM 0 HA PRO A 18 -13.221 4.518 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.751 7.224 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.136 6.689 6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.008 7.529 9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.211 7.930 8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.648 5.986 10.032 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.339 5.890 8.425 1.00 0.00 H new ATOM 235 N CYS A 19 -10.962 4.857 7.948 1.00 0.00 N ATOM 236 CA CYS A 19 -9.653 4.754 8.582 1.00 0.00 C ATOM 237 C CYS A 19 -9.188 6.115 9.092 1.00 0.00 C ATOM 238 O CYS A 19 -9.292 7.132 8.406 1.00 0.00 O ATOM 239 CB CYS A 19 -8.629 4.188 7.597 1.00 0.00 C ATOM 240 SG CYS A 19 -6.974 3.927 8.313 1.00 0.00 S ATOM 0 H CYS A 19 -10.951 4.729 6.936 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.740 4.078 9.432 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.999 3.239 7.210 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.543 4.867 6.748 1.00 0.00 H new ATOM 245 N PRO A 20 -8.661 6.136 10.325 1.00 0.00 N ATOM 246 CA PRO A 20 -8.168 7.365 10.954 1.00 0.00 C ATOM 247 C PRO A 20 -6.894 7.883 10.295 1.00 0.00 C ATOM 248 O PRO A 20 -6.575 9.068 10.386 1.00 0.00 O ATOM 249 CB PRO A 20 -7.887 6.937 12.397 1.00 0.00 C ATOM 250 CG PRO A 20 -7.633 5.471 12.315 1.00 0.00 C ATOM 251 CD PRO A 20 -8.505 4.962 11.200 1.00 0.00 C ATOM 0 HA PRO A 20 -8.885 8.182 10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.026 7.466 12.806 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.734 7.156 13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.582 5.268 12.112 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.877 4.979 13.257 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.039 4.128 10.674 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.466 4.607 11.572 1.00 0.00 H new ATOM 259 N ASN A 21 -6.170 6.988 9.631 1.00 0.00 N ATOM 260 CA ASN A 21 -4.931 7.355 8.956 1.00 0.00 C ATOM 261 C ASN A 21 -5.206 8.296 7.787 1.00 0.00 C ATOM 262 O ASN A 21 -4.281 8.825 7.172 1.00 0.00 O ATOM 263 CB ASN A 21 -4.206 6.103 8.458 1.00 0.00 C ATOM 264 CG ASN A 21 -3.713 5.230 9.596 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.242 5.281 10.707 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.695 4.422 9.323 1.00 0.00 N ATOM 0 H ASN A 21 -6.420 6.003 9.546 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.295 7.873 9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.879 5.524 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.360 6.399 7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.321 3.810 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.288 4.413 8.388 1.00 0.00 H new ATOM 273 N ARG A 22 -6.485 8.499 7.486 1.00 0.00 N ATOM 274 CA ARG A 22 -6.883 9.374 6.391 1.00 0.00 C ATOM 275 C ARG A 22 -6.712 8.675 5.046 1.00 0.00 C ATOM 276 O ARG A 22 -6.501 9.322 4.020 1.00 0.00 O ATOM 277 CB ARG A 22 -6.059 10.663 6.416 1.00 0.00 C ATOM 278 CG ARG A 22 -5.833 11.215 7.814 1.00 0.00 C ATOM 279 CD ARG A 22 -4.462 11.859 7.943 1.00 0.00 C ATOM 280 NE ARG A 22 -4.305 13.000 7.044 1.00 0.00 N ATOM 281 CZ ARG A 22 -4.870 14.184 7.254 1.00 0.00 C ATOM 282 NH1 ARG A 22 -5.624 14.382 8.327 1.00 0.00 N ATOM 283 NH2 ARG A 22 -4.681 15.173 6.390 1.00 0.00 N ATOM 0 H ARG A 22 -7.263 8.069 7.986 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.937 9.621 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.093 10.475 5.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.564 11.418 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.604 11.949 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.929 10.411 8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.310 12.185 8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.692 11.118 7.726 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.730 12.881 6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.771 13.624 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.056 15.292 8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.102 15.025 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.115 16.082 6.552 1.00 0.00 H new ATOM 297 N CYS A 23 -6.804 7.349 5.059 1.00 0.00 N ATOM 298 CA CYS A 23 -6.659 6.560 3.841 1.00 0.00 C ATOM 299 C CYS A 23 -8.018 6.089 3.333 1.00 0.00 C ATOM 300 O CYS A 23 -8.923 5.774 4.106 1.00 0.00 O ATOM 301 CB CYS A 23 -5.751 5.355 4.095 1.00 0.00 C ATOM 302 SG CYS A 23 -6.629 3.875 4.691 1.00 0.00 S ATOM 0 H CYS A 23 -6.978 6.798 5.900 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.206 7.194 3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.228 5.107 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.992 5.633 4.826 1.00 0.00 H new ATOM 307 N PRO A 24 -8.167 6.039 2.001 1.00 0.00 N ATOM 308 CA PRO A 24 -9.412 5.606 1.359 1.00 0.00 C ATOM 309 C PRO A 24 -9.671 4.115 1.542 1.00 0.00 C ATOM 310 O PRO A 24 -9.691 3.356 0.574 1.00 0.00 O ATOM 311 CB PRO A 24 -9.180 5.931 -0.119 1.00 0.00 C ATOM 312 CG PRO A 24 -7.700 5.910 -0.284 1.00 0.00 C ATOM 313 CD PRO A 24 -7.131 6.400 1.019 1.00 0.00 C ATOM 0 HA PRO A 24 -10.284 6.100 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.661 5.197 -0.766 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.594 6.905 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.347 4.904 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.390 6.550 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.178 5.922 1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.952 7.475 1.000 1.00 0.00 H new ATOM 321 N MET A 25 -9.869 3.703 2.790 1.00 0.00 N ATOM 322 CA MET A 25 -10.129 2.301 3.099 1.00 0.00 C ATOM 323 C MET A 25 -10.797 2.160 4.463 1.00 0.00 C ATOM 324 O MET A 25 -10.305 2.682 5.464 1.00 0.00 O ATOM 325 CB MET A 25 -8.825 1.501 3.071 1.00 0.00 C ATOM 326 CG MET A 25 -8.594 0.761 1.763 1.00 0.00 C ATOM 327 SD MET A 25 -9.111 -0.964 1.840 1.00 0.00 S ATOM 328 CE MET A 25 -8.296 -1.496 3.344 1.00 0.00 C ATOM 0 H MET A 25 -9.854 4.319 3.603 1.00 0.00 H new ATOM 0 HA MET A 25 -10.805 1.906 2.341 1.00 0.00 H new ATOM 0 HB2 MET A 25 -7.989 2.178 3.249 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.832 0.781 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.139 1.264 0.964 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.536 0.808 1.506 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.293 -2.585 3.391 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.269 -1.130 3.351 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.829 -1.097 4.207 1.00 0.00 H new ATOM 338 N LYS A 26 -11.920 1.451 4.496 1.00 0.00 N ATOM 339 CA LYS A 26 -12.656 1.240 5.738 1.00 0.00 C ATOM 340 C LYS A 26 -12.735 -0.245 6.077 1.00 0.00 C ATOM 341 O LYS A 26 -12.861 -1.089 5.190 1.00 0.00 O ATOM 342 CB LYS A 26 -14.066 1.824 5.624 1.00 0.00 C ATOM 343 CG LYS A 26 -14.117 3.153 4.890 1.00 0.00 C ATOM 344 CD LYS A 26 -15.306 3.989 5.331 1.00 0.00 C ATOM 345 CE LYS A 26 -15.267 5.381 4.720 1.00 0.00 C ATOM 346 NZ LYS A 26 -15.786 5.389 3.325 1.00 0.00 N ATOM 0 H LYS A 26 -12.341 1.012 3.677 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.122 1.750 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.706 1.109 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.478 1.955 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.195 3.706 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.175 2.975 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.231 3.489 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.313 4.068 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.858 6.063 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.242 5.753 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.743 6.356 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.206 4.758 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.772 5.059 3.320 1.00 0.00 H new ATOM 360 N LEU A 27 -12.661 -0.556 7.366 1.00 0.00 N ATOM 361 CA LEU A 27 -12.726 -1.940 7.824 1.00 0.00 C ATOM 362 C LEU A 27 -13.892 -2.141 8.787 1.00 0.00 C ATOM 363 O LEU A 27 -14.892 -2.771 8.444 1.00 0.00 O ATOM 364 CB LEU A 27 -11.414 -2.336 8.503 1.00 0.00 C ATOM 365 CG LEU A 27 -10.159 -1.618 8.007 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.174 -1.501 6.491 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.042 -0.243 8.649 1.00 0.00 C ATOM 0 H LEU A 27 -12.556 0.131 8.113 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.884 -2.577 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.513 -2.155 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.270 -3.409 8.373 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.289 -2.207 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.273 -0.987 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.209 -2.497 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.051 -0.935 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.143 0.254 8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.916 0.355 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.983 -0.351 9.732 1.00 0.00 H new ATOM 379 N SER A 28 -13.756 -1.600 9.993 1.00 0.00 N ATOM 380 CA SER A 28 -14.797 -1.721 11.007 1.00 0.00 C ATOM 381 C SER A 28 -14.296 -1.227 12.361 1.00 0.00 C ATOM 382 O SER A 28 -13.164 -0.760 12.484 1.00 0.00 O ATOM 383 CB SER A 28 -15.260 -3.175 11.122 1.00 0.00 C ATOM 384 OG SER A 28 -16.009 -3.380 12.307 1.00 0.00 O ATOM 0 H SER A 28 -12.935 -1.074 10.292 1.00 0.00 H new ATOM 0 HA SER A 28 -15.640 -1.101 10.702 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.867 -3.436 10.255 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.394 -3.837 11.116 1.00 0.00 H new ATOM 0 HG SER A 28 -16.294 -4.316 12.356 1.00 0.00 H new ATOM 390 N ARG A 29 -15.149 -1.334 13.375 1.00 0.00 N ATOM 391 CA ARG A 29 -14.795 -0.897 14.720 1.00 0.00 C ATOM 392 C ARG A 29 -14.110 -2.020 15.494 1.00 0.00 C ATOM 393 O ARG A 29 -14.125 -2.038 16.724 1.00 0.00 O ATOM 394 CB ARG A 29 -16.043 -0.433 15.474 1.00 0.00 C ATOM 395 CG ARG A 29 -16.592 0.896 14.982 1.00 0.00 C ATOM 396 CD ARG A 29 -18.022 1.116 15.450 1.00 0.00 C ATOM 397 NE ARG A 29 -18.084 1.517 16.853 1.00 0.00 N ATOM 398 CZ ARG A 29 -19.205 1.879 17.465 1.00 0.00 C ATOM 399 NH1 ARG A 29 -20.353 1.890 16.802 1.00 0.00 N ATOM 400 NH2 ARG A 29 -19.181 2.230 18.745 1.00 0.00 N ATOM 0 H ARG A 29 -16.090 -1.719 13.290 1.00 0.00 H new ATOM 0 HA ARG A 29 -14.100 -0.062 14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.818 -1.194 15.380 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.806 -0.349 16.535 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.961 1.708 15.344 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.556 0.925 13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.491 1.882 14.833 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.594 0.199 15.310 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.218 1.519 17.392 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -20.377 1.620 15.819 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -21.213 2.169 17.275 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.300 2.222 19.260 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -20.043 2.508 19.214 1.00 0.00 H new ATOM 414 N ARG A 30 -13.510 -2.954 14.763 1.00 0.00 N ATOM 415 CA ARG A 30 -12.821 -4.081 15.380 1.00 0.00 C ATOM 416 C ARG A 30 -11.504 -4.371 14.665 1.00 0.00 C ATOM 417 O ARG A 30 -10.489 -4.653 15.302 1.00 0.00 O ATOM 418 CB ARG A 30 -13.710 -5.326 15.357 1.00 0.00 C ATOM 419 CG ARG A 30 -13.045 -6.561 15.942 1.00 0.00 C ATOM 420 CD ARG A 30 -13.909 -7.799 15.757 1.00 0.00 C ATOM 421 NE ARG A 30 -13.132 -9.030 15.872 1.00 0.00 N ATOM 422 CZ ARG A 30 -12.286 -9.455 14.940 1.00 0.00 C ATOM 423 NH1 ARG A 30 -12.109 -8.751 13.831 1.00 0.00 N ATOM 424 NH2 ARG A 30 -11.615 -10.586 15.118 1.00 0.00 N ATOM 0 H ARG A 30 -13.487 -2.952 13.743 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.603 -3.818 16.415 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.625 -5.119 15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.002 -5.534 14.328 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.078 -6.716 15.464 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.854 -6.404 17.004 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.704 -7.801 16.503 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.389 -7.763 14.779 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.245 -9.594 16.714 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.623 -7.881 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.459 -9.079 13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.749 -11.130 15.971 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.966 -10.912 14.402 1.00 0.00 H new ATOM 438 N ASP A 31 -11.529 -4.299 13.339 1.00 0.00 N ATOM 439 CA ASP A 31 -10.338 -4.553 12.536 1.00 0.00 C ATOM 440 C ASP A 31 -9.539 -3.270 12.329 1.00 0.00 C ATOM 441 O ASP A 31 -8.576 -3.243 11.562 1.00 0.00 O ATOM 442 CB ASP A 31 -10.726 -5.151 11.183 1.00 0.00 C ATOM 443 CG ASP A 31 -11.094 -6.618 11.282 1.00 0.00 C ATOM 444 OD1 ASP A 31 -10.204 -7.431 11.608 1.00 0.00 O ATOM 445 OD2 ASP A 31 -12.271 -6.953 11.034 1.00 0.00 O ATOM 0 H ASP A 31 -12.361 -4.067 12.797 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.713 -5.267 13.073 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.569 -4.595 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.896 -5.034 10.486 1.00 0.00 H new ATOM 450 N LEU A 32 -9.946 -2.208 13.017 1.00 0.00 N ATOM 451 CA LEU A 32 -9.268 -0.921 12.908 1.00 0.00 C ATOM 452 C LEU A 32 -7.840 -1.010 13.436 1.00 0.00 C ATOM 453 O LEU A 32 -6.885 -0.582 12.789 1.00 0.00 O ATOM 454 CB LEU A 32 -10.042 0.151 13.677 1.00 0.00 C ATOM 455 CG LEU A 32 -9.957 1.572 13.117 1.00 0.00 C ATOM 456 CD1 LEU A 32 -8.507 2.023 13.026 1.00 0.00 C ATOM 457 CD2 LEU A 32 -10.628 1.650 11.754 1.00 0.00 C ATOM 0 H LEU A 32 -10.741 -2.213 13.656 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.229 -0.647 11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.091 -0.142 13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.680 0.165 14.705 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.483 2.242 13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.465 3.036 12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.058 2.007 14.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.957 1.350 12.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.558 2.668 11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.131 0.968 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.677 1.370 11.848 1.00 0.00 H new ATOM 469 N PRO A 33 -7.689 -1.582 14.640 1.00 0.00 N ATOM 470 CA PRO A 33 -6.381 -1.744 15.281 1.00 0.00 C ATOM 471 C PRO A 33 -5.512 -2.778 14.573 1.00 0.00 C ATOM 472 O PRO A 33 -4.339 -2.948 14.903 1.00 0.00 O ATOM 473 CB PRO A 33 -6.734 -2.219 16.693 1.00 0.00 C ATOM 474 CG PRO A 33 -8.066 -2.871 16.551 1.00 0.00 C ATOM 475 CD PRO A 33 -8.784 -2.115 15.469 1.00 0.00 C ATOM 0 HA PRO A 33 -5.800 -0.822 15.259 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.989 -2.918 17.073 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.774 -1.384 17.393 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.959 -3.923 16.287 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.621 -2.832 17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.443 -2.765 14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.402 -1.317 15.879 1.00 0.00 H new ATOM 483 N ALA A 34 -6.096 -3.465 13.597 1.00 0.00 N ATOM 484 CA ALA A 34 -5.374 -4.481 12.840 1.00 0.00 C ATOM 485 C ALA A 34 -5.192 -4.057 11.387 1.00 0.00 C ATOM 486 O ALA A 34 -4.723 -4.835 10.556 1.00 0.00 O ATOM 487 CB ALA A 34 -6.104 -5.814 12.915 1.00 0.00 C ATOM 0 H ALA A 34 -7.067 -3.337 13.312 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.385 -4.595 13.285 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.554 -6.563 12.345 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.177 -6.131 13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.105 -5.705 12.498 1.00 0.00 H new ATOM 493 N HIS A 35 -5.567 -2.817 11.085 1.00 0.00 N ATOM 494 CA HIS A 35 -5.446 -2.290 9.731 1.00 0.00 C ATOM 495 C HIS A 35 -4.335 -1.247 9.652 1.00 0.00 C ATOM 496 O HIS A 35 -3.590 -1.190 8.673 1.00 0.00 O ATOM 497 CB HIS A 35 -6.771 -1.676 9.279 1.00 0.00 C ATOM 498 CG HIS A 35 -6.641 -0.785 8.082 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.399 -1.263 6.811 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.723 0.561 7.966 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.335 -0.250 5.966 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.529 0.869 6.642 1.00 0.00 N ATOM 0 H HIS A 35 -5.957 -2.159 11.760 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.193 -3.117 9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.474 -2.477 9.051 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.197 -1.104 10.103 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.287 -2.246 6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.907 1.263 8.766 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.155 -0.324 4.904 1.00 0.00 H new ATOM 510 N LEU A 36 -4.230 -0.422 10.688 1.00 0.00 N ATOM 511 CA LEU A 36 -3.211 0.621 10.737 1.00 0.00 C ATOM 512 C LEU A 36 -1.847 0.033 11.085 1.00 0.00 C ATOM 513 O LEU A 36 -0.843 0.744 11.111 1.00 0.00 O ATOM 514 CB LEU A 36 -3.595 1.690 11.760 1.00 0.00 C ATOM 515 CG LEU A 36 -5.089 1.989 11.890 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.332 3.039 12.964 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.659 2.447 10.556 1.00 0.00 C ATOM 0 H LEU A 36 -4.838 -0.455 11.506 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.148 1.079 9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.220 1.382 12.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.081 2.615 11.499 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.599 1.072 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.401 3.239 13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.960 2.673 13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.809 3.958 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.723 2.655 10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.144 3.351 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.519 1.663 9.812 1.00 0.00 H new ATOM 529 N GLN A 37 -1.820 -1.269 11.351 1.00 0.00 N ATOM 530 CA GLN A 37 -0.579 -1.952 11.696 1.00 0.00 C ATOM 531 C GLN A 37 0.175 -2.379 10.441 1.00 0.00 C ATOM 532 O GLN A 37 1.257 -1.867 10.150 1.00 0.00 O ATOM 533 CB GLN A 37 -0.870 -3.173 12.571 1.00 0.00 C ATOM 534 CG GLN A 37 0.318 -4.109 12.723 1.00 0.00 C ATOM 535 CD GLN A 37 0.053 -5.233 13.706 1.00 0.00 C ATOM 536 OE1 GLN A 37 -0.182 -4.994 14.891 1.00 0.00 O ATOM 537 NE2 GLN A 37 0.089 -6.467 13.218 1.00 0.00 N ATOM 0 H GLN A 37 -2.643 -1.872 11.334 1.00 0.00 H new ATOM 0 HA GLN A 37 0.047 -1.255 12.254 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.185 -2.835 13.558 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.705 -3.726 12.142 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.568 -4.533 11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.185 -3.538 13.055 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.288 -6.619 12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.082 -7.263 13.832 1.00 0.00 H new ATOM 546 N HIS A 38 -0.403 -3.320 9.701 1.00 0.00 N ATOM 547 CA HIS A 38 0.215 -3.816 8.476 1.00 0.00 C ATOM 548 C HIS A 38 -0.835 -4.054 7.396 1.00 0.00 C ATOM 549 O HIS A 38 -0.654 -4.894 6.514 1.00 0.00 O ATOM 550 CB HIS A 38 0.981 -5.109 8.754 1.00 0.00 C ATOM 551 CG HIS A 38 0.099 -6.255 9.146 1.00 0.00 C ATOM 552 ND1 HIS A 38 -0.942 -6.315 10.009 1.00 0.00 N flip ATOM 553 CD2 HIS A 38 0.245 -7.527 8.633 1.00 0.00 C flip ATOM 554 CE1 HIS A 38 -1.403 -7.609 10.000 1.00 0.00 C flip ATOM 555 NE2 HIS A 38 -0.670 -8.319 9.162 1.00 0.00 N flip ATOM 0 H HIS A 38 -1.298 -3.754 9.928 1.00 0.00 H new ATOM 0 HA HIS A 38 0.913 -3.059 8.118 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.547 -5.385 7.864 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.704 -4.929 9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.991 -7.828 7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.231 -7.985 10.584 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.790 -9.311 8.958 1.00 0.00 H new ATOM 563 N ASP A 39 -1.934 -3.311 7.471 1.00 0.00 N ATOM 564 CA ASP A 39 -3.014 -3.442 6.500 1.00 0.00 C ATOM 565 C ASP A 39 -3.478 -2.071 6.016 1.00 0.00 C ATOM 566 O ASP A 39 -4.501 -1.953 5.341 1.00 0.00 O ATOM 567 CB ASP A 39 -4.189 -4.205 7.112 1.00 0.00 C ATOM 568 CG ASP A 39 -4.533 -5.460 6.332 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.637 -6.310 6.153 1.00 0.00 O ATOM 570 OD2 ASP A 39 -5.698 -5.590 5.901 1.00 0.00 O ATOM 0 H ASP A 39 -2.100 -2.612 8.195 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.635 -4.001 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.948 -4.474 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.062 -3.553 7.150 1.00 0.00 H new ATOM 575 N CYS A 40 -2.720 -1.038 6.367 1.00 0.00 N ATOM 576 CA CYS A 40 -3.053 0.325 5.970 1.00 0.00 C ATOM 577 C CYS A 40 -2.039 0.862 4.965 1.00 0.00 C ATOM 578 O CYS A 40 -0.827 0.766 5.156 1.00 0.00 O ATOM 579 CB CYS A 40 -3.104 1.237 7.197 1.00 0.00 C ATOM 580 SG CYS A 40 -3.556 2.962 6.823 1.00 0.00 S ATOM 0 H CYS A 40 -1.871 -1.119 6.926 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.034 0.310 5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.822 0.831 7.909 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.130 1.226 7.686 1.00 0.00 H new ATOM 585 N PRO A 41 -2.545 1.443 3.867 1.00 0.00 N ATOM 586 CA PRO A 41 -1.702 2.008 2.809 1.00 0.00 C ATOM 587 C PRO A 41 -0.974 3.270 3.261 1.00 0.00 C ATOM 588 O PRO A 41 0.193 3.480 2.928 1.00 0.00 O ATOM 589 CB PRO A 41 -2.700 2.336 1.696 1.00 0.00 C ATOM 590 CG PRO A 41 -3.999 2.531 2.398 1.00 0.00 C ATOM 591 CD PRO A 41 -3.980 1.593 3.573 1.00 0.00 C ATOM 0 HA PRO A 41 -0.915 1.319 2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.405 3.233 1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.761 1.527 0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.114 3.564 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.837 2.311 1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.524 2.004 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.443 0.636 3.331 1.00 0.00 H new ATOM 599 N LYS A 42 -1.671 4.109 4.020 1.00 0.00 N ATOM 600 CA LYS A 42 -1.091 5.351 4.519 1.00 0.00 C ATOM 601 C LYS A 42 -0.678 5.209 5.981 1.00 0.00 C ATOM 602 O LYS A 42 -0.748 6.168 6.751 1.00 0.00 O ATOM 603 CB LYS A 42 -2.090 6.500 4.369 1.00 0.00 C ATOM 604 CG LYS A 42 -2.946 6.403 3.118 1.00 0.00 C ATOM 605 CD LYS A 42 -2.274 7.073 1.931 1.00 0.00 C ATOM 606 CE LYS A 42 -2.637 8.548 1.844 1.00 0.00 C ATOM 607 NZ LYS A 42 -4.101 8.769 2.001 1.00 0.00 N ATOM 0 H LYS A 42 -2.638 3.952 4.303 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.202 5.572 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.741 6.521 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.545 7.444 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.136 5.355 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.914 6.870 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.192 6.968 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.571 6.569 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.102 9.100 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.311 8.946 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.375 9.642 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.619 7.964 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.333 8.856 3.011 1.00 0.00 H new ATOM 621 N ARG A 43 -0.247 4.009 6.356 1.00 0.00 N ATOM 622 CA ARG A 43 0.177 3.744 7.725 1.00 0.00 C ATOM 623 C ARG A 43 0.817 4.982 8.346 1.00 0.00 C ATOM 624 O ARG A 43 0.668 5.237 9.541 1.00 0.00 O ATOM 625 CB ARG A 43 1.164 2.575 7.758 1.00 0.00 C ATOM 626 CG ARG A 43 2.127 2.558 6.583 1.00 0.00 C ATOM 627 CD ARG A 43 1.717 1.528 5.541 1.00 0.00 C ATOM 628 NE ARG A 43 2.870 0.977 4.834 1.00 0.00 N ATOM 629 CZ ARG A 43 2.783 0.005 3.933 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.603 -0.520 3.631 1.00 0.00 N ATOM 631 NH2 ARG A 43 3.877 -0.444 3.332 1.00 0.00 N ATOM 0 H ARG A 43 -0.182 3.205 5.731 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.706 3.482 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.736 2.619 8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.605 1.639 7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.161 3.547 6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.133 2.336 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.169 0.720 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.038 1.988 4.824 1.00 0.00 H new ATOM 0 HE ARG A 43 3.792 1.359 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.760 -0.177 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.539 -1.266 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.786 -0.043 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.809 -1.191 2.640 1.00 0.00 H new ATOM 645 N ARG A 44 1.530 5.747 7.526 1.00 0.00 N ATOM 646 CA ARG A 44 2.194 6.958 7.995 1.00 0.00 C ATOM 647 C ARG A 44 3.232 6.629 9.064 1.00 0.00 C ATOM 648 O ARG A 44 3.203 7.182 10.164 1.00 0.00 O ATOM 649 CB ARG A 44 1.167 7.945 8.553 1.00 0.00 C ATOM 650 CG ARG A 44 0.325 8.618 7.481 1.00 0.00 C ATOM 651 CD ARG A 44 0.771 10.052 7.241 1.00 0.00 C ATOM 652 NE ARG A 44 0.592 10.455 5.849 1.00 0.00 N ATOM 653 CZ ARG A 44 1.402 10.080 4.865 1.00 0.00 C ATOM 654 NH1 ARG A 44 2.441 9.297 5.119 1.00 0.00 N ATOM 655 NH2 ARG A 44 1.172 10.488 3.623 1.00 0.00 N ATOM 0 H ARG A 44 1.663 5.550 6.534 1.00 0.00 H new ATOM 0 HA ARG A 44 2.703 7.415 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.508 7.419 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.687 8.711 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.398 8.053 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.723 8.607 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.204 10.721 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.820 10.156 7.516 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.198 11.058 5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.620 8.981 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.061 9.011 4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.373 11.090 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.794 10.200 2.868 1.00 0.00 H new ATOM 669 N LEU A 45 4.147 5.725 8.734 1.00 0.00 N ATOM 670 CA LEU A 45 5.195 5.321 9.666 1.00 0.00 C ATOM 671 C LEU A 45 6.567 5.384 9.003 1.00 0.00 C ATOM 672 O LEU A 45 6.925 4.514 8.208 1.00 0.00 O ATOM 673 CB LEU A 45 4.929 3.905 10.181 1.00 0.00 C ATOM 674 CG LEU A 45 3.941 3.788 11.342 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.267 2.425 11.334 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.647 4.028 12.669 1.00 0.00 C ATOM 0 H LEU A 45 4.185 5.257 7.828 1.00 0.00 H new ATOM 0 HA LEU A 45 5.186 6.014 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.558 3.302 9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.878 3.469 10.492 1.00 0.00 H new ATOM 0 HG LEU A 45 3.173 4.551 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.567 2.360 12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.728 2.291 10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.022 1.645 11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.929 3.941 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.436 3.288 12.800 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.082 5.027 12.674 1.00 0.00 H new ATOM 688 N LYS A 46 7.333 6.417 9.336 1.00 0.00 N ATOM 689 CA LYS A 46 8.668 6.593 8.776 1.00 0.00 C ATOM 690 C LYS A 46 9.710 6.713 9.883 1.00 0.00 C ATOM 691 O LYS A 46 9.388 7.065 11.018 1.00 0.00 O ATOM 692 CB LYS A 46 8.710 7.836 7.884 1.00 0.00 C ATOM 693 CG LYS A 46 10.102 8.420 7.720 1.00 0.00 C ATOM 694 CD LYS A 46 10.071 9.725 6.943 1.00 0.00 C ATOM 695 CE LYS A 46 10.048 9.480 5.442 1.00 0.00 C ATOM 696 NZ LYS A 46 8.661 9.310 4.929 1.00 0.00 N ATOM 0 H LYS A 46 7.052 7.146 9.992 1.00 0.00 H new ATOM 0 HA LYS A 46 8.902 5.714 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.314 7.581 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.053 8.597 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.544 8.590 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.740 7.703 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.192 10.301 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.944 10.324 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.524 10.316 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.633 8.590 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.551 8.353 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.984 9.446 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.478 10.012 4.184 1.00 0.00 H new ATOM 710 N CYS A 47 10.962 6.420 9.545 1.00 0.00 N ATOM 711 CA CYS A 47 12.052 6.496 10.510 1.00 0.00 C ATOM 712 C CYS A 47 12.577 7.924 10.626 1.00 0.00 C ATOM 713 O CYS A 47 12.919 8.553 9.625 1.00 0.00 O ATOM 714 CB CYS A 47 13.188 5.556 10.102 1.00 0.00 C ATOM 715 SG CYS A 47 14.587 5.530 11.268 1.00 0.00 S ATOM 0 H CYS A 47 11.246 6.128 8.610 1.00 0.00 H new ATOM 0 HA CYS A 47 11.666 6.189 11.482 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.792 4.545 10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.554 5.851 9.119 1.00 0.00 H new ATOM 720 N GLU A 48 12.637 8.429 11.855 1.00 0.00 N ATOM 721 CA GLU A 48 13.120 9.782 12.101 1.00 0.00 C ATOM 722 C GLU A 48 14.645 9.819 12.131 1.00 0.00 C ATOM 723 O GLU A 48 15.244 10.783 12.609 1.00 0.00 O ATOM 724 CB GLU A 48 12.560 10.315 13.422 1.00 0.00 C ATOM 725 CG GLU A 48 13.042 9.547 14.641 1.00 0.00 C ATOM 726 CD GLU A 48 12.398 10.029 15.926 1.00 0.00 C ATOM 727 OE1 GLU A 48 11.935 11.189 15.959 1.00 0.00 O ATOM 728 OE2 GLU A 48 12.356 9.248 16.899 1.00 0.00 O ATOM 0 H GLU A 48 12.357 7.921 12.694 1.00 0.00 H new ATOM 0 HA GLU A 48 12.775 10.417 11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.840 11.363 13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.471 10.278 13.387 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.827 8.487 14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.125 9.645 14.723 1.00 0.00 H new ATOM 735 N PHE A 49 15.267 8.763 11.619 1.00 0.00 N ATOM 736 CA PHE A 49 16.722 8.672 11.588 1.00 0.00 C ATOM 737 C PHE A 49 17.234 8.630 10.152 1.00 0.00 C ATOM 738 O PHE A 49 17.977 9.512 9.718 1.00 0.00 O ATOM 739 CB PHE A 49 17.193 7.430 12.347 1.00 0.00 C ATOM 740 CG PHE A 49 16.590 7.299 13.716 1.00 0.00 C ATOM 741 CD1 PHE A 49 16.300 8.424 14.470 1.00 0.00 C ATOM 742 CD2 PHE A 49 16.314 6.050 14.249 1.00 0.00 C ATOM 743 CE1 PHE A 49 15.746 8.306 15.731 1.00 0.00 C ATOM 744 CE2 PHE A 49 15.759 5.926 15.509 1.00 0.00 C ATOM 745 CZ PHE A 49 15.474 7.056 16.251 1.00 0.00 C ATOM 0 H PHE A 49 14.786 7.957 11.219 1.00 0.00 H new ATOM 0 HA PHE A 49 17.127 9.560 12.073 1.00 0.00 H new ATOM 0 HB2 PHE A 49 16.947 6.543 11.764 1.00 0.00 H new ATOM 0 HB3 PHE A 49 18.279 7.460 12.438 1.00 0.00 H new ATOM 0 HD1 PHE A 49 16.509 9.404 14.068 1.00 0.00 H new ATOM 0 HD2 PHE A 49 16.535 5.163 13.673 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.526 9.191 16.309 1.00 0.00 H new ATOM 0 HE2 PHE A 49 15.548 4.947 15.913 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.040 6.962 17.235 1.00 0.00 H new ATOM 755 N CYS A 50 16.833 7.598 9.417 1.00 0.00 N ATOM 756 CA CYS A 50 17.250 7.437 8.030 1.00 0.00 C ATOM 757 C CYS A 50 16.226 8.051 7.079 1.00 0.00 C ATOM 758 O CYS A 50 16.577 8.551 6.011 1.00 0.00 O ATOM 759 CB CYS A 50 17.444 5.956 7.701 1.00 0.00 C ATOM 760 SG CYS A 50 15.949 4.941 7.934 1.00 0.00 S ATOM 0 H CYS A 50 16.219 6.860 9.760 1.00 0.00 H new ATOM 0 HA CYS A 50 18.199 7.958 7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.775 5.865 6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 50 18.242 5.557 8.327 1.00 0.00 H new ATOM 765 N GLY A 51 14.958 8.008 7.476 1.00 0.00 N ATOM 766 CA GLY A 51 13.903 8.563 6.649 1.00 0.00 C ATOM 767 C GLY A 51 13.310 7.539 5.702 1.00 0.00 C ATOM 768 O GLY A 51 13.045 7.841 4.537 1.00 0.00 O ATOM 0 H GLY A 51 14.643 7.599 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.115 8.961 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.299 9.400 6.073 1.00 0.00 H new ATOM 772 N CYS A 52 13.103 6.325 6.200 1.00 0.00 N ATOM 773 CA CYS A 52 12.540 5.252 5.388 1.00 0.00 C ATOM 774 C CYS A 52 11.155 4.858 5.892 1.00 0.00 C ATOM 775 O CYS A 52 10.870 4.946 7.087 1.00 0.00 O ATOM 776 CB CYS A 52 13.465 4.035 5.402 1.00 0.00 C ATOM 777 SG CYS A 52 15.068 4.317 4.614 1.00 0.00 S ATOM 0 H CYS A 52 13.316 6.059 7.161 1.00 0.00 H new ATOM 0 HA CYS A 52 12.445 5.616 4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 52 13.629 3.729 6.435 1.00 0.00 H new ATOM 0 HB3 CYS A 52 12.966 3.207 4.899 1.00 0.00 H new ATOM 0 HG CYS A 52 15.945 4.640 5.518 1.00 0.00 H new ATOM 783 N ASP A 53 10.297 4.427 4.974 1.00 0.00 N ATOM 784 CA ASP A 53 8.941 4.021 5.324 1.00 0.00 C ATOM 785 C ASP A 53 8.929 2.607 5.896 1.00 0.00 C ATOM 786 O ASP A 53 9.684 1.741 5.455 1.00 0.00 O ATOM 787 CB ASP A 53 8.030 4.097 4.098 1.00 0.00 C ATOM 788 CG ASP A 53 7.757 5.525 3.668 1.00 0.00 C ATOM 789 OD1 ASP A 53 8.635 6.386 3.880 1.00 0.00 O ATOM 790 OD2 ASP A 53 6.664 5.780 3.119 1.00 0.00 O ATOM 0 H ASP A 53 10.517 4.350 3.981 1.00 0.00 H new ATOM 0 HA ASP A 53 8.568 4.705 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.490 3.554 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.085 3.600 4.319 1.00 0.00 H new ATOM 795 N PHE A 54 8.066 2.380 6.881 1.00 0.00 N ATOM 796 CA PHE A 54 7.956 1.072 7.515 1.00 0.00 C ATOM 797 C PHE A 54 6.511 0.776 7.905 1.00 0.00 C ATOM 798 O PHE A 54 5.763 1.676 8.286 1.00 0.00 O ATOM 799 CB PHE A 54 8.854 1.004 8.753 1.00 0.00 C ATOM 800 CG PHE A 54 10.306 0.798 8.429 1.00 0.00 C ATOM 801 CD1 PHE A 54 10.720 -0.320 7.723 1.00 0.00 C ATOM 802 CD2 PHE A 54 11.257 1.721 8.832 1.00 0.00 C ATOM 803 CE1 PHE A 54 12.055 -0.513 7.425 1.00 0.00 C ATOM 804 CE2 PHE A 54 12.594 1.534 8.536 1.00 0.00 C ATOM 805 CZ PHE A 54 12.994 0.416 7.831 1.00 0.00 C ATOM 0 H PHE A 54 7.433 3.085 7.257 1.00 0.00 H new ATOM 0 HA PHE A 54 8.281 0.320 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.744 1.927 9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.514 0.191 9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.991 -1.049 7.402 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.950 2.597 9.384 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.365 -1.389 6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.325 2.262 8.856 1.00 0.00 H new ATOM 0 HZ PHE A 54 14.038 0.268 7.598 1.00 0.00 H new ATOM 815 N SER A 55 6.125 -0.493 7.805 1.00 0.00 N ATOM 816 CA SER A 55 4.769 -0.908 8.142 1.00 0.00 C ATOM 817 C SER A 55 4.773 -1.868 9.328 1.00 0.00 C ATOM 818 O SER A 55 5.698 -2.662 9.495 1.00 0.00 O ATOM 819 CB SER A 55 4.102 -1.572 6.937 1.00 0.00 C ATOM 820 OG SER A 55 4.599 -1.040 5.721 1.00 0.00 O ATOM 0 H SER A 55 6.733 -1.251 7.493 1.00 0.00 H new ATOM 0 HA SER A 55 4.202 -0.019 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.279 -2.647 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.023 -1.425 6.988 1.00 0.00 H new ATOM 0 HG SER A 55 5.010 -1.757 5.194 1.00 0.00 H new ATOM 826 N GLY A 56 3.732 -1.787 10.151 1.00 0.00 N ATOM 827 CA GLY A 56 3.634 -2.653 11.311 1.00 0.00 C ATOM 828 C GLY A 56 4.617 -2.274 12.402 1.00 0.00 C ATOM 829 O GLY A 56 5.339 -1.286 12.278 1.00 0.00 O ATOM 0 H GLY A 56 2.955 -1.137 10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.620 -2.609 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.813 -3.684 11.007 1.00 0.00 H new ATOM 833 N GLU A 57 4.642 -3.061 13.473 1.00 0.00 N ATOM 834 CA GLU A 57 5.541 -2.800 14.591 1.00 0.00 C ATOM 835 C GLU A 57 6.988 -2.705 14.114 1.00 0.00 C ATOM 836 O GLU A 57 7.862 -2.235 14.841 1.00 0.00 O ATOM 837 CB GLU A 57 5.412 -3.900 15.646 1.00 0.00 C ATOM 838 CG GLU A 57 6.590 -3.966 16.604 1.00 0.00 C ATOM 839 CD GLU A 57 6.207 -4.523 17.962 1.00 0.00 C ATOM 840 OE1 GLU A 57 5.116 -5.121 18.072 1.00 0.00 O ATOM 841 OE2 GLU A 57 6.999 -4.362 18.913 1.00 0.00 O ATOM 0 H GLU A 57 4.051 -3.884 13.590 1.00 0.00 H new ATOM 0 HA GLU A 57 5.259 -1.846 15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.498 -3.738 16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.308 -4.862 15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.373 -4.587 16.169 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.008 -2.967 16.730 1.00 0.00 H new ATOM 848 N ALA A 58 7.231 -3.155 12.888 1.00 0.00 N ATOM 849 CA ALA A 58 8.570 -3.119 12.313 1.00 0.00 C ATOM 850 C ALA A 58 9.263 -1.795 12.615 1.00 0.00 C ATOM 851 O ALA A 58 10.349 -1.769 13.194 1.00 0.00 O ATOM 852 CB ALA A 58 8.506 -3.353 10.811 1.00 0.00 C ATOM 0 H ALA A 58 6.518 -3.549 12.274 1.00 0.00 H new ATOM 0 HA ALA A 58 9.155 -3.917 12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.513 -3.323 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.060 -4.328 10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.899 -2.576 10.347 1.00 0.00 H new ATOM 858 N TYR A 59 8.628 -0.697 12.218 1.00 0.00 N ATOM 859 CA TYR A 59 9.185 0.631 12.444 1.00 0.00 C ATOM 860 C TYR A 59 9.788 0.739 13.841 1.00 0.00 C ATOM 861 O TYR A 59 10.756 1.468 14.056 1.00 0.00 O ATOM 862 CB TYR A 59 8.105 1.698 12.258 1.00 0.00 C ATOM 863 CG TYR A 59 8.323 2.934 13.101 1.00 0.00 C ATOM 864 CD1 TYR A 59 7.871 2.992 14.414 1.00 0.00 C ATOM 865 CD2 TYR A 59 8.983 4.043 12.586 1.00 0.00 C ATOM 866 CE1 TYR A 59 8.068 4.120 15.188 1.00 0.00 C ATOM 867 CE2 TYR A 59 9.185 5.174 13.353 1.00 0.00 C ATOM 868 CZ TYR A 59 8.725 5.208 14.653 1.00 0.00 C ATOM 869 OH TYR A 59 8.924 6.332 15.421 1.00 0.00 O ATOM 0 H TYR A 59 7.728 -0.701 11.738 1.00 0.00 H new ATOM 0 HA TYR A 59 9.977 0.794 11.713 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.069 1.987 11.208 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.134 1.267 12.504 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.357 2.141 14.837 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.344 4.020 11.568 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.709 4.149 16.206 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.700 6.027 12.937 1.00 0.00 H new ATOM 0 HH TYR A 59 9.403 7.007 14.896 1.00 0.00 H new ATOM 879 N GLU A 60 9.207 0.008 14.787 1.00 0.00 N ATOM 880 CA GLU A 60 9.686 0.021 16.164 1.00 0.00 C ATOM 881 C GLU A 60 11.009 -0.728 16.287 1.00 0.00 C ATOM 882 O GLU A 60 11.993 -0.193 16.799 1.00 0.00 O ATOM 883 CB GLU A 60 8.645 -0.603 17.096 1.00 0.00 C ATOM 884 CG GLU A 60 7.267 0.028 16.980 1.00 0.00 C ATOM 885 CD GLU A 60 6.264 -0.582 17.939 1.00 0.00 C ATOM 886 OE1 GLU A 60 6.685 -1.069 19.009 1.00 0.00 O ATOM 887 OE2 GLU A 60 5.056 -0.570 17.620 1.00 0.00 O ATOM 0 H GLU A 60 8.404 -0.600 14.625 1.00 0.00 H new ATOM 0 HA GLU A 60 9.848 1.059 16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.567 -1.668 16.878 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.991 -0.513 18.126 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.344 1.098 17.173 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.904 -0.087 15.959 1.00 0.00 H new ATOM 894 N SER A 61 11.025 -1.971 15.815 1.00 0.00 N ATOM 895 CA SER A 61 12.226 -2.796 15.875 1.00 0.00 C ATOM 896 C SER A 61 13.334 -2.208 15.008 1.00 0.00 C ATOM 897 O SER A 61 14.489 -2.627 15.086 1.00 0.00 O ATOM 898 CB SER A 61 11.912 -4.224 15.423 1.00 0.00 C ATOM 899 OG SER A 61 10.770 -4.731 16.092 1.00 0.00 O ATOM 0 H SER A 61 10.220 -2.428 15.387 1.00 0.00 H new ATOM 0 HA SER A 61 12.571 -2.817 16.909 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.743 -4.239 14.346 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.769 -4.868 15.620 1.00 0.00 H new ATOM 0 HG SER A 61 10.589 -5.644 15.785 1.00 0.00 H new ATOM 905 N HIS A 62 12.973 -1.233 14.179 1.00 0.00 N ATOM 906 CA HIS A 62 13.937 -0.585 13.296 1.00 0.00 C ATOM 907 C HIS A 62 14.697 0.513 14.033 1.00 0.00 C ATOM 908 O HIS A 62 15.674 1.057 13.519 1.00 0.00 O ATOM 909 CB HIS A 62 13.227 0.002 12.075 1.00 0.00 C ATOM 910 CG HIS A 62 14.131 0.788 11.177 1.00 0.00 C ATOM 911 ND1 HIS A 62 14.762 0.242 10.079 1.00 0.00 N ATOM 912 CD2 HIS A 62 14.509 2.088 11.218 1.00 0.00 C ATOM 913 CE1 HIS A 62 15.489 1.171 9.485 1.00 0.00 C ATOM 914 NE2 HIS A 62 15.353 2.300 10.156 1.00 0.00 N ATOM 0 H HIS A 62 12.021 -0.875 14.100 1.00 0.00 H new ATOM 0 HA HIS A 62 14.652 -1.338 12.965 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.776 -0.809 11.503 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.414 0.645 12.412 1.00 0.00 H new ATOM 0 HD1 HIS A 62 14.680 -0.728 9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.203 2.821 11.950 1.00 0.00 H new ATOM 0 HE1 HIS A 62 16.092 1.031 8.600 1.00 0.00 H new ATOM 922 N GLU A 63 14.242 0.833 15.241 1.00 0.00 N ATOM 923 CA GLU A 63 14.880 1.867 16.047 1.00 0.00 C ATOM 924 C GLU A 63 16.274 1.431 16.489 1.00 0.00 C ATOM 925 O GLU A 63 17.140 2.261 16.758 1.00 0.00 O ATOM 926 CB GLU A 63 14.023 2.191 17.273 1.00 0.00 C ATOM 927 CG GLU A 63 14.207 3.609 17.787 1.00 0.00 C ATOM 928 CD GLU A 63 13.700 3.785 19.205 1.00 0.00 C ATOM 929 OE1 GLU A 63 13.467 2.762 19.883 1.00 0.00 O ATOM 930 OE2 GLU A 63 13.536 4.945 19.638 1.00 0.00 O ATOM 0 H GLU A 63 13.435 0.392 15.682 1.00 0.00 H new ATOM 0 HA GLU A 63 14.976 2.762 15.432 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.973 2.038 17.023 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.266 1.490 18.071 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.264 3.872 17.748 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.682 4.301 17.129 1.00 0.00 H new ATOM 937 N GLY A 64 16.481 0.119 16.562 1.00 0.00 N ATOM 938 CA GLY A 64 17.771 -0.406 16.972 1.00 0.00 C ATOM 939 C GLY A 64 18.650 -0.771 15.792 1.00 0.00 C ATOM 940 O GLY A 64 19.875 -0.678 15.871 1.00 0.00 O ATOM 0 H GLY A 64 15.779 -0.589 16.345 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.282 0.335 17.587 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.620 -1.288 17.595 1.00 0.00 H new ATOM 944 N MET A 65 18.024 -1.188 14.697 1.00 0.00 N ATOM 945 CA MET A 65 18.759 -1.568 13.496 1.00 0.00 C ATOM 946 C MET A 65 18.472 -0.600 12.353 1.00 0.00 C ATOM 947 O MET A 65 17.813 -0.955 11.375 1.00 0.00 O ATOM 948 CB MET A 65 18.391 -2.993 13.077 1.00 0.00 C ATOM 949 CG MET A 65 18.943 -3.389 11.717 1.00 0.00 C ATOM 950 SD MET A 65 19.229 -5.163 11.573 1.00 0.00 S ATOM 951 CE MET A 65 20.493 -5.200 10.304 1.00 0.00 C ATOM 0 H MET A 65 17.011 -1.271 14.616 1.00 0.00 H new ATOM 0 HA MET A 65 19.824 -1.527 13.724 1.00 0.00 H new ATOM 0 HB2 MET A 65 18.762 -3.691 13.828 1.00 0.00 H new ATOM 0 HB3 MET A 65 17.305 -3.089 13.061 1.00 0.00 H new ATOM 0 HG2 MET A 65 18.246 -3.073 10.941 1.00 0.00 H new ATOM 0 HG3 MET A 65 19.879 -2.859 11.541 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.776 -6.233 10.103 1.00 0.00 H new ATOM 0 HE2 MET A 65 20.106 -4.745 9.392 1.00 0.00 H new ATOM 0 HE3 MET A 65 21.367 -4.644 10.644 1.00 0.00 H new ATOM 961 N CYS A 66 18.970 0.625 12.482 1.00 0.00 N ATOM 962 CA CYS A 66 18.767 1.646 11.462 1.00 0.00 C ATOM 963 C CYS A 66 20.060 1.917 10.698 1.00 0.00 C ATOM 964 O CYS A 66 21.147 1.986 11.272 1.00 0.00 O ATOM 965 CB CYS A 66 18.258 2.940 12.099 1.00 0.00 C ATOM 966 SG CYS A 66 18.247 4.371 10.971 1.00 0.00 S ATOM 0 H CYS A 66 19.518 0.935 13.285 1.00 0.00 H new ATOM 0 HA CYS A 66 18.020 1.277 10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.246 2.776 12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.880 3.176 12.962 1.00 0.00 H new ATOM 971 N PRO A 67 19.941 2.074 9.371 1.00 0.00 N ATOM 972 CA PRO A 67 21.090 2.340 8.500 1.00 0.00 C ATOM 973 C PRO A 67 21.667 3.735 8.712 1.00 0.00 C ATOM 974 O PRO A 67 22.884 3.920 8.703 1.00 0.00 O ATOM 975 CB PRO A 67 20.504 2.212 7.091 1.00 0.00 C ATOM 976 CG PRO A 67 19.054 2.514 7.256 1.00 0.00 C ATOM 977 CD PRO A 67 18.677 2.004 8.619 1.00 0.00 C ATOM 0 HA PRO A 67 21.917 1.658 8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 67 20.978 2.909 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.657 1.211 6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.867 3.585 7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.463 2.027 6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.902 2.618 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.292 0.985 8.575 1.00 0.00 H new ATOM 985 N GLN A 68 20.787 4.712 8.903 1.00 0.00 N ATOM 986 CA GLN A 68 21.211 6.091 9.118 1.00 0.00 C ATOM 987 C GLN A 68 20.704 6.614 10.458 1.00 0.00 C ATOM 988 O GLN A 68 19.800 7.447 10.507 1.00 0.00 O ATOM 989 CB GLN A 68 20.705 6.984 7.984 1.00 0.00 C ATOM 990 CG GLN A 68 21.673 7.091 6.816 1.00 0.00 C ATOM 991 CD GLN A 68 21.896 5.764 6.119 1.00 0.00 C ATOM 992 OE1 GLN A 68 20.999 5.237 5.461 1.00 0.00 O ATOM 993 NE2 GLN A 68 23.097 5.215 6.261 1.00 0.00 N ATOM 0 H GLN A 68 19.776 4.575 8.913 1.00 0.00 H new ATOM 0 HA GLN A 68 22.301 6.112 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.754 6.594 7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 68 20.511 7.982 8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 68 21.290 7.815 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 68 22.628 7.474 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 68 23.811 5.687 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 68 23.305 4.321 5.815 1.00 0.00 H new ATOM 1002 N GLU A 69 21.294 6.119 11.542 1.00 0.00 N ATOM 1003 CA GLU A 69 20.900 6.536 12.882 1.00 0.00 C ATOM 1004 C GLU A 69 21.173 8.023 13.091 1.00 0.00 C ATOM 1005 O GLU A 69 20.496 8.685 13.878 1.00 0.00 O ATOM 1006 CB GLU A 69 21.648 5.717 13.936 1.00 0.00 C ATOM 1007 CG GLU A 69 21.349 6.143 15.363 1.00 0.00 C ATOM 1008 CD GLU A 69 22.508 5.880 16.305 1.00 0.00 C ATOM 1009 OE1 GLU A 69 23.151 4.818 16.171 1.00 0.00 O ATOM 1010 OE2 GLU A 69 22.771 6.735 17.177 1.00 0.00 O ATOM 0 H GLU A 69 22.045 5.430 11.518 1.00 0.00 H new ATOM 0 HA GLU A 69 19.829 6.361 12.989 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.388 4.665 13.818 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.720 5.803 13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.107 7.206 15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.467 5.611 15.720 1.00 0.00 H new ATOM 1017 N SER A 70 22.170 8.542 12.380 1.00 0.00 N ATOM 1018 CA SER A 70 22.536 9.949 12.490 1.00 0.00 C ATOM 1019 C SER A 70 21.293 10.833 12.523 1.00 0.00 C ATOM 1020 O SER A 70 20.226 10.440 12.051 1.00 0.00 O ATOM 1021 CB SER A 70 23.434 10.357 11.321 1.00 0.00 C ATOM 1022 OG SER A 70 24.633 9.600 11.311 1.00 0.00 O ATOM 0 H SER A 70 22.738 8.009 11.722 1.00 0.00 H new ATOM 0 HA SER A 70 23.082 10.085 13.423 1.00 0.00 H new ATOM 0 HB2 SER A 70 22.901 10.213 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 70 23.671 11.418 11.393 1.00 0.00 H new ATOM 0 HG SER A 70 25.189 9.878 10.554 1.00 0.00 H new ATOM 1028 N SER A 71 21.439 12.028 13.085 1.00 0.00 N ATOM 1029 CA SER A 71 20.328 12.968 13.184 1.00 0.00 C ATOM 1030 C SER A 71 19.639 13.139 11.833 1.00 0.00 C ATOM 1031 O SER A 71 18.423 12.991 11.721 1.00 0.00 O ATOM 1032 CB SER A 71 20.822 14.323 13.692 1.00 0.00 C ATOM 1033 OG SER A 71 21.109 14.274 15.079 1.00 0.00 O ATOM 0 H SER A 71 22.316 12.369 13.479 1.00 0.00 H new ATOM 0 HA SER A 71 19.605 12.564 13.893 1.00 0.00 H new ATOM 0 HB2 SER A 71 21.716 14.617 13.143 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.066 15.084 13.501 1.00 0.00 H new ATOM 0 HG SER A 71 21.425 15.152 15.379 1.00 0.00 H new ATOM 1039 N GLY A 72 20.428 13.451 10.809 1.00 0.00 N ATOM 1040 CA GLY A 72 19.878 13.638 9.479 1.00 0.00 C ATOM 1041 C GLY A 72 18.853 14.754 9.427 1.00 0.00 C ATOM 1042 O GLY A 72 18.227 15.098 10.430 1.00 0.00 O ATOM 0 H GLY A 72 21.438 13.578 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.687 13.859 8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 72 19.416 12.709 9.146 1.00 0.00 H new ATOM 1046 N PRO A 73 18.673 15.341 8.235 1.00 0.00 N ATOM 1047 CA PRO A 73 17.719 16.435 8.027 1.00 0.00 C ATOM 1048 C PRO A 73 16.271 15.967 8.127 1.00 0.00 C ATOM 1049 O PRO A 73 15.343 16.775 8.078 1.00 0.00 O ATOM 1050 CB PRO A 73 18.030 16.912 6.607 1.00 0.00 C ATOM 1051 CG PRO A 73 18.630 15.728 5.932 1.00 0.00 C ATOM 1052 CD PRO A 73 19.385 14.982 6.997 1.00 0.00 C ATOM 0 HA PRO A 73 17.819 17.213 8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.127 17.244 6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.721 17.755 6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.858 15.099 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 73 19.295 16.035 5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.369 13.906 6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.432 15.284 7.034 1.00 0.00 H new ATOM 1060 N SER A 74 16.084 14.659 8.267 1.00 0.00 N ATOM 1061 CA SER A 74 14.748 14.084 8.370 1.00 0.00 C ATOM 1062 C SER A 74 13.762 14.837 7.482 1.00 0.00 C ATOM 1063 O SER A 74 12.676 15.214 7.922 1.00 0.00 O ATOM 1064 CB SER A 74 14.268 14.112 9.823 1.00 0.00 C ATOM 1065 OG SER A 74 14.649 15.318 10.462 1.00 0.00 O ATOM 0 H SER A 74 16.841 13.977 8.312 1.00 0.00 H new ATOM 0 HA SER A 74 14.798 13.049 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.183 14.008 9.853 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.685 13.263 10.364 1.00 0.00 H new ATOM 0 HG SER A 74 14.316 16.081 9.945 1.00 0.00 H new ATOM 1071 N SER A 75 14.150 15.055 6.230 1.00 0.00 N ATOM 1072 CA SER A 75 13.304 15.766 5.280 1.00 0.00 C ATOM 1073 C SER A 75 12.204 14.855 4.743 1.00 0.00 C ATOM 1074 O SER A 75 12.271 13.635 4.882 1.00 0.00 O ATOM 1075 CB SER A 75 14.144 16.308 4.121 1.00 0.00 C ATOM 1076 OG SER A 75 15.218 15.435 3.819 1.00 0.00 O ATOM 0 H SER A 75 15.046 14.749 5.850 1.00 0.00 H new ATOM 0 HA SER A 75 12.837 16.601 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.515 16.435 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.533 17.293 4.379 1.00 0.00 H new ATOM 0 HG SER A 75 15.739 15.802 3.074 1.00 0.00 H new ATOM 1082 N GLY A 76 11.191 15.459 4.128 1.00 0.00 N ATOM 1083 CA GLY A 76 10.091 14.688 3.580 1.00 0.00 C ATOM 1084 C GLY A 76 9.379 15.413 2.454 1.00 0.00 C ATOM 1085 O GLY A 76 9.804 16.506 2.084 1.00 0.00 O ATOM 0 H GLY A 76 11.113 16.468 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.468 13.734 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.377 14.465 4.373 1.00 0.00 H new TER 1089 GLY A 76 HETATM 1090 ZN ZN A 201 -5.890 2.820 6.541 1.00 0.00 ZN HETATM 1091 ZN ZN A 401 16.109 4.204 10.064 1.00 0.00 ZN