USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 362 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot -100:sc= -1.11! USER MOD Set 1.2: A 45 SER OG : rot 130:sc= -1.17! USER MOD Set 2.1: A 13 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 164:sc= 0.0111 (180deg=0.00196) USER MOD Single : A 6 TYR OH : rot -129:sc= 0.985 USER MOD Single : A 7 THR OG1 : rot 56:sc= 0.511 USER MOD Single : A 8 SER OG : rot -20:sc= 0.788 USER MOD Single : A 10 THR OG1 : rot -101:sc= 0.0404 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.279 K(o=-0.28,f=-2!) USER MOD Single : A 17 SER OG : rot -80:sc= -0.014 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 157:sc= 0.263 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.571 K(o=-0.57,f=-2.8) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0773 K(o=-0.077,f=-1.2) USER MOD Single : A 41 SER OG : rot 30:sc= 0.177 USER MOD Single : A 46 GLN :FLIP amide:sc= 0.988 F(o=-0.028,f=0.99) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.654 -5.593 -6.314 1.00 0.00 N ATOM 2 CA ASP A 1 8.608 -6.600 -6.364 1.00 0.00 C ATOM 3 C ASP A 1 7.667 -6.412 -5.172 1.00 0.00 C ATOM 4 O ASP A 1 8.080 -6.558 -4.022 1.00 0.00 O ATOM 5 CB ASP A 1 9.197 -8.010 -6.284 1.00 0.00 C ATOM 6 CG ASP A 1 9.742 -8.558 -7.604 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.451 -7.789 -8.289 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.438 -9.734 -7.899 1.00 0.00 O ATOM 0 H1 ASP A 1 10.434 -5.871 -6.944 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.269 -4.677 -6.622 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.009 -5.509 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 1 8.074 -6.485 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.001 -8.011 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.428 -8.689 -5.916 1.00 0.00 H new ATOM 13 N ILE A 2 6.421 -6.092 -5.487 1.00 0.00 N ATOM 14 CA ILE A 2 5.419 -5.883 -4.456 1.00 0.00 C ATOM 15 C ILE A 2 4.456 -7.072 -4.437 1.00 0.00 C ATOM 16 O ILE A 2 4.049 -7.529 -3.371 1.00 0.00 O ATOM 17 CB ILE A 2 4.725 -4.533 -4.649 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.471 -4.680 -5.514 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.694 -3.494 -5.217 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.765 -3.334 -5.689 1.00 0.00 C ATOM 0 H ILE A 2 6.082 -5.972 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 2 5.888 -5.837 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 2 4.403 -4.172 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.743 -5.082 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.789 -5.395 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.175 -2.544 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.530 -3.362 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.068 -3.835 -6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.877 -3.466 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.473 -2.947 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.441 -2.628 -6.171 1.00 0.00 H new ATOM 32 N GLU A 3 4.121 -7.540 -5.631 1.00 0.00 N ATOM 33 CA GLU A 3 3.215 -8.667 -5.766 1.00 0.00 C ATOM 34 C GLU A 3 3.725 -9.858 -4.952 1.00 0.00 C ATOM 35 O GLU A 3 2.934 -10.649 -4.439 1.00 0.00 O ATOM 36 CB GLU A 3 3.027 -9.047 -7.236 1.00 0.00 C ATOM 37 CG GLU A 3 1.960 -10.133 -7.389 1.00 0.00 C ATOM 38 CD GLU A 3 1.111 -9.894 -8.640 1.00 0.00 C ATOM 39 OE1 GLU A 3 1.716 -9.550 -9.679 1.00 0.00 O ATOM 40 OE2 GLU A 3 -0.123 -10.062 -8.530 1.00 0.00 O ATOM 0 H GLU A 3 4.461 -7.158 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 3 2.241 -8.374 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.739 -8.166 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.972 -9.400 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.437 -11.111 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.319 -10.146 -6.507 1.00 0.00 H new ATOM 47 N ASP A 4 5.043 -9.950 -4.859 1.00 0.00 N ATOM 48 CA ASP A 4 5.668 -11.032 -4.117 1.00 0.00 C ATOM 49 C ASP A 4 5.503 -10.777 -2.617 1.00 0.00 C ATOM 50 O ASP A 4 5.756 -11.662 -1.802 1.00 0.00 O ATOM 51 CB ASP A 4 7.165 -11.115 -4.420 1.00 0.00 C ATOM 52 CG ASP A 4 7.513 -11.420 -5.879 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.419 -10.476 -6.694 1.00 0.00 O ATOM 54 OD2 ASP A 4 7.865 -12.589 -6.146 1.00 0.00 O ATOM 0 H ASP A 4 5.696 -9.293 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 4 5.188 -11.965 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.630 -10.169 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.606 -11.886 -3.788 1.00 0.00 H new ATOM 59 N PHE A 5 5.080 -9.562 -2.299 1.00 0.00 N ATOM 60 CA PHE A 5 4.879 -9.179 -0.912 1.00 0.00 C ATOM 61 C PHE A 5 3.431 -8.749 -0.666 1.00 0.00 C ATOM 62 O PHE A 5 3.129 -8.125 0.350 1.00 0.00 O ATOM 63 CB PHE A 5 5.805 -7.993 -0.636 1.00 0.00 C ATOM 64 CG PHE A 5 7.215 -8.393 -0.199 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.475 -8.646 1.111 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.209 -8.495 -1.122 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.785 -9.018 1.516 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.519 -8.866 -0.717 1.00 0.00 C ATOM 69 CZ PHE A 5 9.779 -9.120 0.594 1.00 0.00 C ATOM 0 H PHE A 5 4.871 -8.830 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 5 5.095 -10.024 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.874 -7.382 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.359 -7.369 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.686 -8.564 1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.002 -8.294 -2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.991 -9.220 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.308 -8.946 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.775 -9.403 0.902 1.00 0.00 H new ATOM 79 N TYR A 6 2.574 -9.100 -1.614 1.00 0.00 N ATOM 80 CA TYR A 6 1.166 -8.758 -1.513 1.00 0.00 C ATOM 81 C TYR A 6 0.441 -9.697 -0.547 1.00 0.00 C ATOM 82 O TYR A 6 0.655 -10.908 -0.576 1.00 0.00 O ATOM 83 CB TYR A 6 0.586 -8.942 -2.917 1.00 0.00 C ATOM 84 CG TYR A 6 -0.825 -8.374 -3.087 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.189 -7.222 -2.421 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.732 -9.013 -3.907 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.517 -6.687 -2.581 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.059 -8.478 -4.068 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.386 -7.342 -3.397 1.00 0.00 C ATOM 90 OH TYR A 6 -4.640 -6.836 -3.548 1.00 0.00 O ATOM 0 H TYR A 6 2.828 -9.618 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 6 1.044 -7.741 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.249 -8.463 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.570 -10.005 -3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.479 -6.721 -1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.447 -9.915 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.816 -5.787 -2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.778 -8.968 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.299 -7.543 -3.389 1.00 0.00 H new ATOM 100 N THR A 7 -0.402 -9.103 0.284 1.00 0.00 N ATOM 101 CA THR A 7 -1.160 -9.872 1.257 1.00 0.00 C ATOM 102 C THR A 7 -2.660 -9.739 0.990 1.00 0.00 C ATOM 103 O THR A 7 -3.319 -8.863 1.548 1.00 0.00 O ATOM 104 CB THR A 7 -0.748 -9.404 2.654 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.443 -8.172 2.827 1.00 0.00 O ATOM 106 CG2 THR A 7 0.729 -9.012 2.728 1.00 0.00 C ATOM 0 H THR A 7 -0.577 -8.098 0.304 1.00 0.00 H new ATOM 0 HA THR A 7 -0.941 -10.937 1.177 1.00 0.00 H new ATOM 0 HB THR A 7 -0.950 -10.195 3.376 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.403 -8.317 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.969 -8.688 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.347 -9.871 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.925 -8.198 2.030 1.00 0.00 H new ATOM 114 N SER A 8 -3.157 -10.622 0.137 1.00 0.00 N ATOM 115 CA SER A 8 -4.568 -10.615 -0.211 1.00 0.00 C ATOM 116 C SER A 8 -5.400 -11.135 0.963 1.00 0.00 C ATOM 117 O SER A 8 -6.628 -11.156 0.897 1.00 0.00 O ATOM 118 CB SER A 8 -4.832 -11.456 -1.462 1.00 0.00 C ATOM 119 OG SER A 8 -6.225 -11.623 -1.709 1.00 0.00 O ATOM 0 H SER A 8 -2.608 -11.348 -0.324 1.00 0.00 H new ATOM 0 HA SER A 8 -4.860 -9.588 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.366 -10.979 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.365 -12.434 -1.347 1.00 0.00 H new ATOM 0 HG SER A 8 -6.726 -11.459 -0.883 1.00 0.00 H new ATOM 125 N GLU A 9 -4.697 -11.542 2.010 1.00 0.00 N ATOM 126 CA GLU A 9 -5.355 -12.060 3.197 1.00 0.00 C ATOM 127 C GLU A 9 -5.980 -10.917 4.000 1.00 0.00 C ATOM 128 O GLU A 9 -7.118 -11.023 4.454 1.00 0.00 O ATOM 129 CB GLU A 9 -4.379 -12.865 4.058 1.00 0.00 C ATOM 130 CG GLU A 9 -4.965 -14.231 4.420 1.00 0.00 C ATOM 131 CD GLU A 9 -4.597 -14.623 5.853 1.00 0.00 C ATOM 132 OE1 GLU A 9 -3.426 -15.013 6.051 1.00 0.00 O ATOM 133 OE2 GLU A 9 -5.494 -14.524 6.717 1.00 0.00 O ATOM 0 H GLU A 9 -3.678 -11.523 2.061 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.151 -12.734 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.440 -12.999 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.149 -12.311 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.049 -14.205 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.594 -14.985 3.726 1.00 0.00 H new ATOM 140 N THR A 10 -5.207 -9.851 4.150 1.00 0.00 N ATOM 141 CA THR A 10 -5.671 -8.690 4.890 1.00 0.00 C ATOM 142 C THR A 10 -6.072 -7.570 3.928 1.00 0.00 C ATOM 143 O THR A 10 -6.891 -6.718 4.268 1.00 0.00 O ATOM 144 CB THR A 10 -4.569 -8.283 5.871 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.874 -6.930 6.194 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.193 -8.206 5.206 1.00 0.00 C ATOM 0 H THR A 10 -4.263 -9.767 3.772 1.00 0.00 H new ATOM 0 HA THR A 10 -6.569 -8.920 5.464 1.00 0.00 H new ATOM 0 HB THR A 10 -4.535 -8.996 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.294 -6.332 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.447 -7.913 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.933 -9.181 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.217 -7.468 4.404 1.00 0.00 H new ATOM 154 N CYS A 11 -5.475 -7.607 2.746 1.00 0.00 N ATOM 155 CA CYS A 11 -5.760 -6.605 1.732 1.00 0.00 C ATOM 156 C CYS A 11 -7.227 -6.740 1.322 1.00 0.00 C ATOM 157 O CYS A 11 -7.722 -7.850 1.128 1.00 0.00 O ATOM 158 CB CYS A 11 -4.818 -6.731 0.533 1.00 0.00 C ATOM 159 SG CYS A 11 -4.880 -5.330 -0.642 1.00 0.00 S ATOM 0 H CYS A 11 -4.795 -8.315 2.467 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.589 -5.610 2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.797 -6.834 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.057 -7.649 -0.004 1.00 0.00 H new ATOM 164 N PRO A 12 -7.900 -5.565 1.199 1.00 0.00 N ATOM 165 CA PRO A 12 -9.302 -5.541 0.816 1.00 0.00 C ATOM 166 C PRO A 12 -9.467 -5.831 -0.677 1.00 0.00 C ATOM 167 O PRO A 12 -10.587 -5.954 -1.169 1.00 0.00 O ATOM 168 CB PRO A 12 -9.794 -4.158 1.210 1.00 0.00 C ATOM 169 CG PRO A 12 -8.548 -3.302 1.370 1.00 0.00 C ATOM 170 CD PRO A 12 -7.347 -4.232 1.421 1.00 0.00 C ATOM 0 HA PRO A 12 -9.887 -6.314 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.455 -3.747 0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.364 -4.196 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.455 -2.604 0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.608 -2.706 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.614 -3.975 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.838 -4.170 2.383 1.00 0.00 H new ATOM 178 N TYR A 13 -8.334 -5.933 -1.356 1.00 0.00 N ATOM 179 CA TYR A 13 -8.339 -6.206 -2.783 1.00 0.00 C ATOM 180 C TYR A 13 -7.692 -7.560 -3.084 1.00 0.00 C ATOM 181 O TYR A 13 -6.598 -7.850 -2.604 1.00 0.00 O ATOM 182 CB TYR A 13 -7.501 -5.100 -3.428 1.00 0.00 C ATOM 183 CG TYR A 13 -8.004 -3.686 -3.132 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.073 -3.172 -3.837 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.388 -2.924 -2.159 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.546 -1.841 -3.558 1.00 0.00 C ATOM 187 CE2 TYR A 13 -7.861 -1.593 -1.881 1.00 0.00 C ATOM 188 CZ TYR A 13 -8.917 -1.117 -2.594 1.00 0.00 C ATOM 189 OH TYR A 13 -9.364 0.140 -2.331 1.00 0.00 O ATOM 0 H TYR A 13 -7.406 -5.831 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.360 -6.233 -3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.472 -5.189 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.487 -5.251 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.555 -3.768 -4.598 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.552 -3.326 -1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.382 -1.427 -4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.388 -0.986 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.994 0.447 -1.477 1.00 0.00 H new ATOM 199 N LYS A 14 -8.397 -8.353 -3.878 1.00 0.00 N ATOM 200 CA LYS A 14 -7.906 -9.669 -4.249 1.00 0.00 C ATOM 201 C LYS A 14 -7.797 -9.758 -5.772 1.00 0.00 C ATOM 202 O LYS A 14 -7.971 -10.830 -6.349 1.00 0.00 O ATOM 203 CB LYS A 14 -8.781 -10.761 -3.630 1.00 0.00 C ATOM 204 CG LYS A 14 -10.262 -10.387 -3.709 1.00 0.00 C ATOM 205 CD LYS A 14 -10.763 -10.432 -5.155 1.00 0.00 C ATOM 206 CE LYS A 14 -10.882 -9.022 -5.737 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.951 -8.972 -6.760 1.00 0.00 N ATOM 0 H LYS A 14 -9.305 -8.109 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.905 -9.829 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.612 -11.705 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.496 -10.914 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.847 -11.073 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.411 -9.388 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.079 -11.024 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.733 -10.928 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.099 -8.310 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.932 -8.724 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.018 -8.008 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.728 -9.637 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.859 -9.236 -6.327 1.00 0.00 H new ATOM 221 N ASN A 15 -7.510 -8.616 -6.381 1.00 0.00 N ATOM 222 CA ASN A 15 -7.376 -8.551 -7.826 1.00 0.00 C ATOM 223 C ASN A 15 -5.892 -8.542 -8.196 1.00 0.00 C ATOM 224 O ASN A 15 -5.438 -9.377 -8.978 1.00 0.00 O ATOM 225 CB ASN A 15 -8.010 -7.274 -8.381 1.00 0.00 C ATOM 226 CG ASN A 15 -8.846 -7.573 -9.627 1.00 0.00 C ATOM 227 OD1 ASN A 15 -9.323 -8.677 -9.836 1.00 0.00 O ATOM 228 ND2 ASN A 15 -8.996 -6.532 -10.440 1.00 0.00 N ATOM 0 H ASN A 15 -7.367 -7.728 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.881 -9.418 -8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.639 -6.815 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.230 -6.554 -8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.537 -6.630 -11.299 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.570 -5.636 -10.205 1.00 0.00 H new ATOM 235 N ASP A 16 -5.176 -7.590 -7.617 1.00 0.00 N ATOM 236 CA ASP A 16 -3.752 -7.461 -7.877 1.00 0.00 C ATOM 237 C ASP A 16 -3.126 -6.546 -6.822 1.00 0.00 C ATOM 238 O ASP A 16 -3.824 -5.757 -6.187 1.00 0.00 O ATOM 239 CB ASP A 16 -3.496 -6.842 -9.252 1.00 0.00 C ATOM 240 CG ASP A 16 -2.186 -7.265 -9.919 1.00 0.00 C ATOM 241 OD1 ASP A 16 -1.125 -6.928 -9.350 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.275 -7.915 -10.982 1.00 0.00 O ATOM 0 H ASP A 16 -5.555 -6.900 -6.968 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.312 -8.458 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.323 -7.105 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.501 -5.757 -9.152 1.00 0.00 H new ATOM 247 N SER A 17 -1.817 -6.683 -6.669 1.00 0.00 N ATOM 248 CA SER A 17 -1.090 -5.878 -5.702 1.00 0.00 C ATOM 249 C SER A 17 -1.008 -4.428 -6.183 1.00 0.00 C ATOM 250 O SER A 17 -0.972 -3.503 -5.374 1.00 0.00 O ATOM 251 CB SER A 17 0.314 -6.438 -5.464 1.00 0.00 C ATOM 252 OG SER A 17 1.054 -6.556 -6.676 1.00 0.00 O ATOM 0 H SER A 17 -1.242 -7.339 -7.198 1.00 0.00 H new ATOM 0 HA SER A 17 -1.630 -5.910 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.851 -5.788 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.239 -7.416 -4.989 1.00 0.00 H new ATOM 0 HG SER A 17 0.782 -7.371 -7.147 1.00 0.00 H new ATOM 258 N GLN A 18 -0.981 -4.276 -7.499 1.00 0.00 N ATOM 259 CA GLN A 18 -0.904 -2.954 -8.099 1.00 0.00 C ATOM 260 C GLN A 18 -2.191 -2.173 -7.827 1.00 0.00 C ATOM 261 O GLN A 18 -2.177 -0.944 -7.782 1.00 0.00 O ATOM 262 CB GLN A 18 -0.626 -3.048 -9.600 1.00 0.00 C ATOM 263 CG GLN A 18 0.768 -3.621 -9.865 1.00 0.00 C ATOM 264 CD GLN A 18 1.234 -3.295 -11.285 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.784 -3.872 -12.262 1.00 0.00 O ATOM 266 NE2 GLN A 18 2.157 -2.339 -11.346 1.00 0.00 N ATOM 0 H GLN A 18 -1.011 -5.046 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.072 -2.417 -7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.378 -3.678 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.708 -2.059 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.476 -3.213 -9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.754 -4.701 -9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.491 -1.897 -10.490 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.531 -2.048 -12.249 1.00 0.00 H new ATOM 275 N LEU A 19 -3.273 -2.918 -7.653 1.00 0.00 N ATOM 276 CA LEU A 19 -4.565 -2.310 -7.387 1.00 0.00 C ATOM 277 C LEU A 19 -4.539 -1.650 -6.007 1.00 0.00 C ATOM 278 O LEU A 19 -4.646 -0.429 -5.898 1.00 0.00 O ATOM 279 CB LEU A 19 -5.686 -3.339 -7.555 1.00 0.00 C ATOM 280 CG LEU A 19 -7.108 -2.824 -7.326 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.509 -1.818 -8.407 1.00 0.00 C ATOM 282 CD2 LEU A 19 -8.101 -3.984 -7.226 1.00 0.00 C ATOM 0 H LEU A 19 -3.281 -3.937 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.773 -1.524 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.627 -3.750 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.503 -4.162 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.131 -2.297 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.524 -1.468 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.824 -0.971 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.465 -2.298 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.105 -3.591 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.082 -4.560 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.824 -4.629 -6.392 1.00 0.00 H new ATOM 294 N ALA A 20 -4.396 -2.485 -4.989 1.00 0.00 N ATOM 295 CA ALA A 20 -4.355 -1.997 -3.621 1.00 0.00 C ATOM 296 C ALA A 20 -3.243 -0.954 -3.490 1.00 0.00 C ATOM 297 O ALA A 20 -3.373 0.005 -2.730 1.00 0.00 O ATOM 298 CB ALA A 20 -4.165 -3.176 -2.664 1.00 0.00 C ATOM 0 H ALA A 20 -4.307 -3.497 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.295 -1.512 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.134 -2.810 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.995 -3.873 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.230 -3.686 -2.896 1.00 0.00 H new ATOM 304 N TRP A 21 -2.175 -1.177 -4.241 1.00 0.00 N ATOM 305 CA TRP A 21 -1.041 -0.268 -4.218 1.00 0.00 C ATOM 306 C TRP A 21 -1.451 1.017 -4.939 1.00 0.00 C ATOM 307 O TRP A 21 -1.103 2.114 -4.506 1.00 0.00 O ATOM 308 CB TRP A 21 0.200 -0.925 -4.825 1.00 0.00 C ATOM 309 CG TRP A 21 1.279 0.068 -5.262 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.330 0.786 -6.392 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.467 0.426 -4.526 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.460 1.577 -6.438 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.173 1.351 -5.267 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.931 -0.018 -3.275 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.384 1.912 -4.842 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.142 0.552 -2.864 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.865 1.485 -3.598 1.00 0.00 C ATOM 0 H TRP A 21 -2.070 -1.974 -4.869 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.766 -0.019 -3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.628 -1.613 -4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.101 -1.521 -5.687 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.581 0.750 -7.169 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.723 2.211 -7.193 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.395 -0.742 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.918 2.635 -5.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.543 0.245 -1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.793 1.879 -3.211 1.00 0.00 H new ATOM 328 N ASP A 22 -2.185 0.839 -6.028 1.00 0.00 N ATOM 329 CA ASP A 22 -2.645 1.971 -6.814 1.00 0.00 C ATOM 330 C ASP A 22 -3.615 2.807 -5.976 1.00 0.00 C ATOM 331 O ASP A 22 -3.927 3.943 -6.331 1.00 0.00 O ATOM 332 CB ASP A 22 -3.385 1.505 -8.069 1.00 0.00 C ATOM 333 CG ASP A 22 -2.530 1.438 -9.336 1.00 0.00 C ATOM 334 OD1 ASP A 22 -1.433 2.036 -9.313 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.994 0.791 -10.300 1.00 0.00 O ATOM 0 H ASP A 22 -2.472 -0.072 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.773 2.556 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.805 0.517 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.223 2.178 -8.249 1.00 0.00 H new ATOM 340 N THR A 23 -4.065 2.212 -4.881 1.00 0.00 N ATOM 341 CA THR A 23 -4.993 2.888 -3.990 1.00 0.00 C ATOM 342 C THR A 23 -4.230 3.690 -2.934 1.00 0.00 C ATOM 343 O THR A 23 -4.297 4.918 -2.913 1.00 0.00 O ATOM 344 CB THR A 23 -5.928 1.834 -3.394 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.134 1.979 -4.139 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.337 2.160 -1.956 1.00 0.00 C ATOM 0 H THR A 23 -3.804 1.270 -4.591 1.00 0.00 H new ATOM 0 HA THR A 23 -5.600 3.615 -4.529 1.00 0.00 H new ATOM 0 HB THR A 23 -5.440 0.860 -3.421 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.796 1.331 -3.819 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.000 1.381 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.448 2.213 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.855 3.119 -1.934 1.00 0.00 H new ATOM 354 N CYS A 24 -3.521 2.963 -2.082 1.00 0.00 N ATOM 355 CA CYS A 24 -2.746 3.592 -1.026 1.00 0.00 C ATOM 356 C CYS A 24 -1.635 4.421 -1.674 1.00 0.00 C ATOM 357 O CYS A 24 -1.656 5.649 -1.610 1.00 0.00 O ATOM 358 CB CYS A 24 -2.188 2.560 -0.043 1.00 0.00 C ATOM 359 SG CYS A 24 -0.504 2.921 0.575 1.00 0.00 S ATOM 0 H CYS A 24 -3.467 1.945 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.391 4.246 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.864 2.487 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.180 1.584 -0.528 1.00 0.00 H new ATOM 364 N SER A 25 -0.692 3.717 -2.282 1.00 0.00 N ATOM 365 CA SER A 25 0.424 4.373 -2.941 1.00 0.00 C ATOM 366 C SER A 25 -0.002 4.870 -4.324 1.00 0.00 C ATOM 367 O SER A 25 0.651 4.573 -5.323 1.00 0.00 O ATOM 368 CB SER A 25 1.623 3.430 -3.063 1.00 0.00 C ATOM 369 OG SER A 25 1.268 2.077 -2.791 1.00 0.00 O ATOM 0 H SER A 25 -0.678 2.698 -2.332 1.00 0.00 H new ATOM 0 HA SER A 25 0.726 5.226 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.039 3.501 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.404 3.746 -2.372 1.00 0.00 H new ATOM 0 HG SER A 25 1.913 1.477 -3.221 1.00 0.00 H new ATOM 375 N GLY A 26 -1.096 5.618 -4.337 1.00 0.00 N ATOM 376 CA GLY A 26 -1.617 6.160 -5.580 1.00 0.00 C ATOM 377 C GLY A 26 -1.747 7.682 -5.504 1.00 0.00 C ATOM 378 O GLY A 26 -2.123 8.327 -6.482 1.00 0.00 O ATOM 0 H GLY A 26 -1.636 5.861 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.957 5.889 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.591 5.719 -5.793 1.00 0.00 H new ATOM 382 N GLY A 27 -1.428 8.213 -4.333 1.00 0.00 N ATOM 383 CA GLY A 27 -1.503 9.648 -4.116 1.00 0.00 C ATOM 384 C GLY A 27 -2.828 10.033 -3.455 1.00 0.00 C ATOM 385 O GLY A 27 -2.895 11.015 -2.717 1.00 0.00 O ATOM 0 H GLY A 27 -1.117 7.675 -3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.672 9.968 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.402 10.169 -5.068 1.00 0.00 H new ATOM 389 N THR A 28 -3.850 9.241 -3.743 1.00 0.00 N ATOM 390 CA THR A 28 -5.169 9.486 -3.186 1.00 0.00 C ATOM 391 C THR A 28 -5.765 8.189 -2.635 1.00 0.00 C ATOM 392 O THR A 28 -5.093 7.160 -2.597 1.00 0.00 O ATOM 393 CB THR A 28 -6.027 10.137 -4.272 1.00 0.00 C ATOM 394 OG1 THR A 28 -5.972 9.215 -5.357 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.394 11.412 -4.834 1.00 0.00 C ATOM 0 H THR A 28 -3.791 8.428 -4.356 1.00 0.00 H new ATOM 0 HA THR A 28 -5.120 10.169 -2.338 1.00 0.00 H new ATOM 0 HB THR A 28 -7.011 10.370 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.504 9.558 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.044 11.833 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.263 12.137 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.424 11.175 -5.271 1.00 0.00 H new ATOM 403 N GLY A 29 -7.021 8.282 -2.222 1.00 0.00 N ATOM 404 CA GLY A 29 -7.715 7.129 -1.676 1.00 0.00 C ATOM 405 C GLY A 29 -7.487 7.015 -0.167 1.00 0.00 C ATOM 406 O GLY A 29 -7.962 7.851 0.601 1.00 0.00 O ATOM 0 H GLY A 29 -7.575 9.138 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.782 7.212 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.365 6.222 -2.170 1.00 0.00 H new ATOM 410 N ASN A 30 -6.759 5.975 0.213 1.00 0.00 N ATOM 411 CA ASN A 30 -6.462 5.742 1.616 1.00 0.00 C ATOM 412 C ASN A 30 -4.962 5.490 1.780 1.00 0.00 C ATOM 413 O ASN A 30 -4.557 4.456 2.309 1.00 0.00 O ATOM 414 CB ASN A 30 -7.208 4.513 2.140 1.00 0.00 C ATOM 415 CG ASN A 30 -7.353 3.452 1.048 1.00 0.00 C ATOM 416 OD1 ASN A 30 -8.095 3.605 0.092 1.00 0.00 O ATOM 417 ND2 ASN A 30 -6.603 2.371 1.241 1.00 0.00 N ATOM 0 H ASN A 30 -6.366 5.284 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.776 6.621 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.671 4.093 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.194 4.808 2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.628 1.606 0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.003 2.307 2.063 1.00 0.00 H new ATOM 424 N CYS A 31 -4.179 6.452 1.316 1.00 0.00 N ATOM 425 CA CYS A 31 -2.732 6.348 1.405 1.00 0.00 C ATOM 426 C CYS A 31 -2.322 6.577 2.861 1.00 0.00 C ATOM 427 O CYS A 31 -3.032 7.245 3.611 1.00 0.00 O ATOM 428 CB CYS A 31 -2.035 7.324 0.455 1.00 0.00 C ATOM 429 SG CYS A 31 -1.684 8.971 1.170 1.00 0.00 S ATOM 0 H CYS A 31 -4.519 7.308 0.877 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.417 5.352 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.096 6.879 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.656 7.453 -0.431 1.00 0.00 H new ATOM 434 N GLY A 32 -1.179 6.010 3.217 1.00 0.00 N ATOM 435 CA GLY A 32 -0.666 6.145 4.570 1.00 0.00 C ATOM 436 C GLY A 32 0.330 5.029 4.892 1.00 0.00 C ATOM 437 O GLY A 32 0.655 4.214 4.030 1.00 0.00 O ATOM 0 H GLY A 32 -0.593 5.456 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.181 7.114 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.492 6.116 5.281 1.00 0.00 H new ATOM 441 N THR A 33 0.786 5.028 6.136 1.00 0.00 N ATOM 442 CA THR A 33 1.738 4.025 6.583 1.00 0.00 C ATOM 443 C THR A 33 1.009 2.753 7.017 1.00 0.00 C ATOM 444 O THR A 33 1.643 1.753 7.351 1.00 0.00 O ATOM 445 CB THR A 33 2.592 4.645 7.692 1.00 0.00 C ATOM 446 OG1 THR A 33 3.177 5.791 7.080 1.00 0.00 O ATOM 447 CG2 THR A 33 3.789 3.770 8.067 1.00 0.00 C ATOM 0 H THR A 33 0.514 5.706 6.848 1.00 0.00 H new ATOM 0 HA THR A 33 2.401 3.721 5.773 1.00 0.00 H new ATOM 0 HB THR A 33 1.975 4.813 8.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.746 6.254 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.361 4.256 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.435 2.801 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.425 3.629 7.193 1.00 0.00 H new ATOM 455 N VAL A 34 -0.314 2.831 6.998 1.00 0.00 N ATOM 456 CA VAL A 34 -1.136 1.698 7.386 1.00 0.00 C ATOM 457 C VAL A 34 -1.099 0.644 6.278 1.00 0.00 C ATOM 458 O VAL A 34 -0.961 -0.547 6.554 1.00 0.00 O ATOM 459 CB VAL A 34 -2.554 2.169 7.715 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.496 0.979 7.910 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.558 3.079 8.945 1.00 0.00 C ATOM 0 H VAL A 34 -0.837 3.662 6.720 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.744 1.233 8.291 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.919 2.750 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.497 1.342 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.528 0.387 6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.135 0.360 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.578 3.400 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.163 2.534 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.935 3.953 8.753 1.00 0.00 H new ATOM 471 N CYS A 35 -1.223 1.119 5.047 1.00 0.00 N ATOM 472 CA CYS A 35 -1.205 0.232 3.897 1.00 0.00 C ATOM 473 C CYS A 35 0.163 -0.450 3.837 1.00 0.00 C ATOM 474 O CYS A 35 0.338 -1.437 3.125 1.00 0.00 O ATOM 475 CB CYS A 35 -1.527 0.980 2.601 1.00 0.00 C ATOM 476 SG CYS A 35 -0.209 0.922 1.334 1.00 0.00 S ATOM 0 H CYS A 35 -1.336 2.107 4.821 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.982 -0.524 4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.440 0.564 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.734 2.023 2.842 1.00 0.00 H new ATOM 481 N CYS A 36 1.098 0.105 4.595 1.00 0.00 N ATOM 482 CA CYS A 36 2.446 -0.438 4.637 1.00 0.00 C ATOM 483 C CYS A 36 2.358 -1.911 5.039 1.00 0.00 C ATOM 484 O CYS A 36 2.902 -2.778 4.356 1.00 0.00 O ATOM 485 CB CYS A 36 3.347 0.359 5.583 1.00 0.00 C ATOM 486 SG CYS A 36 3.490 -0.332 7.271 1.00 0.00 S ATOM 0 H CYS A 36 0.949 0.924 5.184 1.00 0.00 H new ATOM 0 HA CYS A 36 2.904 -0.358 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.344 0.422 5.146 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.965 1.377 5.654 1.00 0.00 H new ATOM 0 HG CYS A 36 2.702 0.319 8.074 1.00 0.00 H new ATOM 491 N GLY A 37 1.669 -2.150 6.146 1.00 0.00 N ATOM 492 CA GLY A 37 1.503 -3.503 6.647 1.00 0.00 C ATOM 493 C GLY A 37 0.040 -3.942 6.568 1.00 0.00 C ATOM 494 O GLY A 37 -0.471 -4.580 7.486 1.00 0.00 O ATOM 0 H GLY A 37 1.219 -1.429 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.123 -4.187 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.847 -3.557 7.680 1.00 0.00 H new ATOM 498 N GLN A 38 -0.593 -3.582 5.461 1.00 0.00 N ATOM 499 CA GLN A 38 -1.988 -3.930 5.249 1.00 0.00 C ATOM 500 C GLN A 38 -2.132 -4.820 4.013 1.00 0.00 C ATOM 501 O GLN A 38 -2.719 -5.899 4.085 1.00 0.00 O ATOM 502 CB GLN A 38 -2.854 -2.675 5.125 1.00 0.00 C ATOM 503 CG GLN A 38 -4.184 -2.852 5.860 1.00 0.00 C ATOM 504 CD GLN A 38 -5.203 -1.802 5.411 1.00 0.00 C ATOM 505 OE1 GLN A 38 -5.490 -0.841 6.105 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.731 -2.039 4.213 1.00 0.00 N ATOM 0 H GLN A 38 -0.165 -3.053 4.701 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.338 -4.488 6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.319 -1.818 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.042 -2.461 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.578 -3.851 5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.023 -2.771 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.446 -2.863 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.421 -1.396 3.823 1.00 0.00 H new ATOM 515 N CYS A 39 -1.586 -4.335 2.907 1.00 0.00 N ATOM 516 CA CYS A 39 -1.646 -5.073 1.657 1.00 0.00 C ATOM 517 C CYS A 39 -0.239 -5.577 1.329 1.00 0.00 C ATOM 518 O CYS A 39 -0.080 -6.536 0.575 1.00 0.00 O ATOM 519 CB CYS A 39 -2.225 -4.221 0.525 1.00 0.00 C ATOM 520 SG CYS A 39 -4.018 -3.882 0.661 1.00 0.00 S ATOM 0 H CYS A 39 -1.100 -3.440 2.851 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.320 -5.923 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.691 -3.271 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.035 -4.724 -0.423 1.00 0.00 H new ATOM 525 N PHE A 40 0.745 -4.909 1.912 1.00 0.00 N ATOM 526 CA PHE A 40 2.133 -5.278 1.692 1.00 0.00 C ATOM 527 C PHE A 40 2.914 -5.288 3.007 1.00 0.00 C ATOM 528 O PHE A 40 2.339 -5.086 4.076 1.00 0.00 O ATOM 529 CB PHE A 40 2.735 -4.222 0.763 1.00 0.00 C ATOM 530 CG PHE A 40 1.739 -3.635 -0.240 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.543 -4.246 -1.439 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.051 -2.503 0.068 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.619 -3.702 -2.370 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.127 -1.959 -0.863 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.070 -2.570 -2.062 1.00 0.00 C ATOM 0 H PHE A 40 0.609 -4.114 2.537 1.00 0.00 H new ATOM 0 HA PHE A 40 2.188 -6.278 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.146 -3.413 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.567 -4.666 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.090 -5.145 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.207 -2.018 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.463 -4.187 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.419 -1.060 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.773 -2.157 -2.770 1.00 0.00 H new ATOM 545 N SER A 41 4.212 -5.524 2.886 1.00 0.00 N ATOM 546 CA SER A 41 5.078 -5.562 4.053 1.00 0.00 C ATOM 547 C SER A 41 6.504 -5.173 3.659 1.00 0.00 C ATOM 548 O SER A 41 6.888 -5.300 2.497 1.00 0.00 O ATOM 549 CB SER A 41 5.066 -6.948 4.702 1.00 0.00 C ATOM 550 OG SER A 41 4.033 -7.072 5.676 1.00 0.00 O ATOM 0 H SER A 41 4.685 -5.691 1.998 1.00 0.00 H new ATOM 0 HA SER A 41 4.701 -4.845 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.932 -7.708 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.031 -7.137 5.171 1.00 0.00 H new ATOM 0 HG SER A 41 3.277 -6.501 5.426 1.00 0.00 H new ATOM 556 N PHE A 42 7.251 -4.707 4.649 1.00 0.00 N ATOM 557 CA PHE A 42 8.627 -4.299 4.421 1.00 0.00 C ATOM 558 C PHE A 42 9.426 -5.417 3.749 1.00 0.00 C ATOM 559 O PHE A 42 9.095 -6.593 3.889 1.00 0.00 O ATOM 560 CB PHE A 42 9.239 -4.004 5.792 1.00 0.00 C ATOM 561 CG PHE A 42 9.888 -2.623 5.899 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.111 -1.513 6.022 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.243 -2.504 5.871 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.713 -0.232 6.121 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.845 -1.222 5.971 1.00 0.00 C ATOM 566 CZ PHE A 42 11.068 -0.113 6.094 1.00 0.00 C ATOM 0 H PHE A 42 6.929 -4.603 5.611 1.00 0.00 H new ATOM 0 HA PHE A 42 8.653 -3.427 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.462 -4.089 6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.987 -4.764 6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.035 -1.607 6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.861 -3.385 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.095 0.649 6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.921 -1.128 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.526 0.862 6.170 1.00 0.00 H new ATOM 576 N PRO A 43 10.491 -4.999 3.013 1.00 0.00 N ATOM 577 CA PRO A 43 10.814 -3.587 2.899 1.00 0.00 C ATOM 578 C PRO A 43 9.841 -2.877 1.956 1.00 0.00 C ATOM 579 O PRO A 43 10.039 -1.711 1.617 1.00 0.00 O ATOM 580 CB PRO A 43 12.252 -3.551 2.406 1.00 0.00 C ATOM 581 CG PRO A 43 12.526 -4.927 1.821 1.00 0.00 C ATOM 582 CD PRO A 43 11.413 -5.857 2.274 1.00 0.00 C ATOM 0 HA PRO A 43 10.718 -3.056 3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.388 -2.773 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.939 -3.330 3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.563 -4.878 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.494 -5.299 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.920 -6.328 1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.799 -6.659 2.904 1.00 0.00 H new ATOM 590 N VAL A 44 8.811 -3.609 1.559 1.00 0.00 N ATOM 591 CA VAL A 44 7.806 -3.064 0.662 1.00 0.00 C ATOM 592 C VAL A 44 6.972 -2.022 1.410 1.00 0.00 C ATOM 593 O VAL A 44 6.615 -0.987 0.848 1.00 0.00 O ATOM 594 CB VAL A 44 6.961 -4.195 0.073 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.300 -3.761 -1.237 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.799 -5.459 -0.128 1.00 0.00 C ATOM 0 H VAL A 44 8.650 -4.576 1.842 1.00 0.00 H new ATOM 0 HA VAL A 44 8.280 -2.558 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 44 6.170 -4.428 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.705 -4.584 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.654 -2.903 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.069 -3.487 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.174 -6.247 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.621 -5.246 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.200 -5.786 0.831 1.00 0.00 H new ATOM 606 N SER A 45 6.686 -2.330 2.667 1.00 0.00 N ATOM 607 CA SER A 45 5.901 -1.433 3.497 1.00 0.00 C ATOM 608 C SER A 45 6.494 -0.024 3.451 1.00 0.00 C ATOM 609 O SER A 45 5.804 0.954 3.736 1.00 0.00 O ATOM 610 CB SER A 45 5.837 -1.935 4.941 1.00 0.00 C ATOM 611 OG SER A 45 5.861 -0.863 5.880 1.00 0.00 O ATOM 0 H SER A 45 6.984 -3.188 3.130 1.00 0.00 H new ATOM 0 HA SER A 45 4.884 -1.405 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.928 -2.520 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.678 -2.602 5.131 1.00 0.00 H new ATOM 0 HG SER A 45 5.130 -0.975 6.523 1.00 0.00 H new ATOM 617 N GLN A 46 7.768 0.037 3.090 1.00 0.00 N ATOM 618 CA GLN A 46 8.462 1.310 3.002 1.00 0.00 C ATOM 619 C GLN A 46 8.080 2.035 1.710 1.00 0.00 C ATOM 620 O GLN A 46 8.048 3.264 1.670 1.00 0.00 O ATOM 621 CB GLN A 46 9.976 1.117 3.096 1.00 0.00 C ATOM 622 CG GLN A 46 10.718 2.398 2.706 1.00 0.00 C ATOM 623 CD GLN A 46 10.507 3.493 3.754 1.00 0.00 C ATOM 624 OE1 GLN A 46 11.352 3.431 4.779 1.00 0.00 O flip ATOM 625 NE2 GLN A 46 9.635 4.339 3.638 1.00 0.00 N flip ATOM 0 H GLN A 46 8.338 -0.776 2.855 1.00 0.00 H new ATOM 0 HA GLN A 46 8.155 1.928 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.247 0.831 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.283 0.301 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.783 2.189 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.365 2.746 1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.020 4.329 2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.522 5.056 4.354 1.00 0.00 H new ATOM 634 N SER A 47 7.800 1.243 0.685 1.00 0.00 N ATOM 635 CA SER A 47 7.422 1.793 -0.605 1.00 0.00 C ATOM 636 C SER A 47 5.977 2.293 -0.557 1.00 0.00 C ATOM 637 O SER A 47 5.654 3.326 -1.143 1.00 0.00 O ATOM 638 CB SER A 47 7.589 0.756 -1.717 1.00 0.00 C ATOM 639 OG SER A 47 8.749 -0.049 -1.526 1.00 0.00 O ATOM 0 H SER A 47 7.828 0.224 0.722 1.00 0.00 H new ATOM 0 HA SER A 47 8.083 2.631 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.706 0.117 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.654 1.264 -2.679 1.00 0.00 H new ATOM 0 HG SER A 47 8.819 -0.700 -2.255 1.00 0.00 H new ATOM 645 N CYS A 48 5.146 1.538 0.145 1.00 0.00 N ATOM 646 CA CYS A 48 3.743 1.891 0.276 1.00 0.00 C ATOM 647 C CYS A 48 3.655 3.275 0.922 1.00 0.00 C ATOM 648 O CYS A 48 3.033 4.183 0.372 1.00 0.00 O ATOM 649 CB CYS A 48 2.967 0.840 1.072 1.00 0.00 C ATOM 650 SG CYS A 48 1.531 1.487 2.003 1.00 0.00 S ATOM 0 H CYS A 48 5.417 0.682 0.630 1.00 0.00 H new ATOM 0 HA CYS A 48 3.279 1.920 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.619 0.069 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.649 0.359 1.773 1.00 0.00 H new ATOM 655 N ALA A 49 4.286 3.393 2.081 1.00 0.00 N ATOM 656 CA ALA A 49 4.286 4.652 2.808 1.00 0.00 C ATOM 657 C ALA A 49 5.215 5.642 2.103 1.00 0.00 C ATOM 658 O ALA A 49 5.303 6.804 2.497 1.00 0.00 O ATOM 659 CB ALA A 49 4.695 4.402 4.261 1.00 0.00 C ATOM 0 H ALA A 49 4.801 2.638 2.535 1.00 0.00 H new ATOM 0 HA ALA A 49 3.287 5.088 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.695 5.346 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.988 3.715 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.694 3.967 4.288 1.00 0.00 H new ATOM 665 N GLY A 50 5.885 5.146 1.073 1.00 0.00 N ATOM 666 CA GLY A 50 6.804 5.974 0.310 1.00 0.00 C ATOM 667 C GLY A 50 6.107 6.589 -0.905 1.00 0.00 C ATOM 668 O GLY A 50 6.180 7.798 -1.121 1.00 0.00 O ATOM 0 H GLY A 50 5.810 4.182 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.200 6.766 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.653 5.374 -0.018 1.00 0.00 H new ATOM 672 N MET A 51 5.448 5.729 -1.668 1.00 0.00 N ATOM 673 CA MET A 51 4.739 6.174 -2.856 1.00 0.00 C ATOM 674 C MET A 51 3.327 6.650 -2.506 1.00 0.00 C ATOM 675 O MET A 51 2.486 6.811 -3.388 1.00 0.00 O ATOM 676 CB MET A 51 4.655 5.023 -3.861 1.00 0.00 C ATOM 677 CG MET A 51 4.427 5.549 -5.279 1.00 0.00 C ATOM 678 SD MET A 51 3.289 4.485 -6.150 1.00 0.00 S ATOM 679 CE MET A 51 3.850 4.735 -7.825 1.00 0.00 C ATOM 0 H MET A 51 5.390 4.727 -1.487 1.00 0.00 H new ATOM 0 HA MET A 51 5.287 7.010 -3.292 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.575 4.440 -3.829 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.842 4.352 -3.583 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.031 6.564 -5.240 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.375 5.597 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.242 4.139 -8.505 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.758 5.789 -8.086 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.893 4.430 -7.909 1.00 0.00 H new ATOM 689 N ALA A 52 3.112 6.863 -1.216 1.00 0.00 N ATOM 690 CA ALA A 52 1.818 7.318 -0.739 1.00 0.00 C ATOM 691 C ALA A 52 1.785 8.848 -0.746 1.00 0.00 C ATOM 692 O ALA A 52 1.128 9.462 0.093 1.00 0.00 O ATOM 693 CB ALA A 52 1.552 6.736 0.651 1.00 0.00 C ATOM 0 H ALA A 52 3.812 6.729 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 52 1.023 6.968 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.581 7.078 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.556 5.647 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.329 7.068 1.339 1.00 0.00 H new ATOM 699 N ASP A 53 2.502 9.419 -1.702 1.00 0.00 N ATOM 700 CA ASP A 53 2.564 10.865 -1.830 1.00 0.00 C ATOM 701 C ASP A 53 3.079 11.466 -0.521 1.00 0.00 C ATOM 702 O ASP A 53 3.058 10.810 0.519 1.00 0.00 O ATOM 703 CB ASP A 53 1.179 11.453 -2.107 1.00 0.00 C ATOM 704 CG ASP A 53 0.907 11.804 -3.571 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.817 11.558 -4.392 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.205 12.311 -3.836 1.00 0.00 O ATOM 0 H ASP A 53 3.046 8.906 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 53 3.229 11.102 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.425 10.740 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.056 12.353 -1.504 1.00 0.00 H new ATOM 711 N SER A 54 3.529 12.709 -0.615 1.00 0.00 N ATOM 712 CA SER A 54 4.049 13.406 0.549 1.00 0.00 C ATOM 713 C SER A 54 2.992 14.364 1.101 1.00 0.00 C ATOM 714 O SER A 54 2.374 14.088 2.128 1.00 0.00 O ATOM 715 CB SER A 54 5.330 14.170 0.207 1.00 0.00 C ATOM 716 OG SER A 54 6.486 13.550 0.765 1.00 0.00 O ATOM 0 H SER A 54 3.544 13.251 -1.479 1.00 0.00 H new ATOM 0 HA SER A 54 4.292 12.665 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.438 14.230 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.252 15.192 0.577 1.00 0.00 H new ATOM 0 HG SER A 54 7.283 14.066 0.523 1.00 0.00 H new ATOM 722 N ASN A 55 2.815 15.471 0.394 1.00 0.00 N ATOM 723 CA ASN A 55 1.843 16.472 0.800 1.00 0.00 C ATOM 724 C ASN A 55 0.704 16.513 -0.221 1.00 0.00 C ATOM 725 O ASN A 55 -0.309 17.175 0.001 1.00 0.00 O ATOM 726 CB ASN A 55 2.476 17.863 0.858 1.00 0.00 C ATOM 727 CG ASN A 55 1.998 18.632 2.090 1.00 0.00 C ATOM 728 OD1 ASN A 55 0.971 19.292 2.083 1.00 0.00 O ATOM 729 ND2 ASN A 55 2.796 18.512 3.147 1.00 0.00 N ATOM 0 H ASN A 55 3.329 15.697 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 55 1.474 16.202 1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.562 17.772 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.222 18.420 -0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.563 18.988 4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.641 17.944 3.086 1.00 0.00 H new ATOM 736 N ASP A 56 0.907 15.797 -1.317 1.00 0.00 N ATOM 737 CA ASP A 56 -0.090 15.743 -2.372 1.00 0.00 C ATOM 738 C ASP A 56 -1.248 14.847 -1.928 1.00 0.00 C ATOM 739 O ASP A 56 -2.347 14.930 -2.475 1.00 0.00 O ATOM 740 CB ASP A 56 0.497 15.155 -3.656 1.00 0.00 C ATOM 741 CG ASP A 56 1.474 16.069 -4.399 1.00 0.00 C ATOM 742 OD1 ASP A 56 1.064 17.211 -4.701 1.00 0.00 O ATOM 743 OD2 ASP A 56 2.608 15.606 -4.647 1.00 0.00 O ATOM 0 H ASP A 56 1.748 15.249 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.432 16.760 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.009 14.224 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.322 14.901 -4.329 1.00 0.00 H new ATOM 748 N CYS A 57 -0.963 14.011 -0.940 1.00 0.00 N ATOM 749 CA CYS A 57 -1.967 13.101 -0.416 1.00 0.00 C ATOM 750 C CYS A 57 -2.942 13.905 0.445 1.00 0.00 C ATOM 751 O CYS A 57 -2.644 15.031 0.841 1.00 0.00 O ATOM 752 CB CYS A 57 -1.332 11.948 0.365 1.00 0.00 C ATOM 753 SG CYS A 57 -1.671 10.283 -0.314 1.00 0.00 S ATOM 0 H CYS A 57 -0.051 13.945 -0.489 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.509 12.639 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.253 12.100 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.689 11.985 1.394 1.00 0.00 H new ATOM 758 N PRO A 58 -4.119 13.281 0.716 1.00 0.00 N ATOM 759 CA PRO A 58 -5.141 13.926 1.523 1.00 0.00 C ATOM 760 C PRO A 58 -4.756 13.919 3.004 1.00 0.00 C ATOM 761 O PRO A 58 -5.505 13.419 3.841 1.00 0.00 O ATOM 762 CB PRO A 58 -6.416 13.150 1.237 1.00 0.00 C ATOM 763 CG PRO A 58 -5.973 11.822 0.647 1.00 0.00 C ATOM 764 CD PRO A 58 -4.507 11.948 0.264 1.00 0.00 C ATOM 0 HA PRO A 58 -5.268 14.980 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.994 12.999 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.055 13.693 0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.111 11.018 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.576 11.572 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.905 11.176 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.368 11.838 -0.812 1.00 0.00 H new ATOM 772 N ASN A 59 -3.588 14.479 3.281 1.00 0.00 N ATOM 773 CA ASN A 59 -3.094 14.544 4.646 1.00 0.00 C ATOM 774 C ASN A 59 -3.517 15.873 5.275 1.00 0.00 C ATOM 775 O ASN A 59 -3.943 16.788 4.572 1.00 0.00 O ATOM 776 CB ASN A 59 -1.567 14.468 4.684 1.00 0.00 C ATOM 777 CG ASN A 59 -1.061 13.220 3.957 1.00 0.00 C ATOM 778 OD1 ASN A 59 -1.724 12.198 3.892 1.00 0.00 O ATOM 779 ND2 ASN A 59 0.146 13.360 3.417 1.00 0.00 N ATOM 0 H ASN A 59 -2.969 14.892 2.583 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.511 13.700 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.143 15.359 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.226 14.453 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.571 12.583 2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.646 14.244 3.509 1.00 0.00 H new ATOM 786 N ALA A 60 -3.386 15.937 6.592 1.00 0.00 N ATOM 787 CA ALA A 60 -3.749 17.139 7.323 1.00 0.00 C ATOM 788 C ALA A 60 -2.861 18.297 6.865 1.00 0.00 C ATOM 789 O ALA A 60 -1.668 18.325 7.163 1.00 0.00 O ATOM 790 CB ALA A 60 -3.635 16.876 8.826 1.00 0.00 C ATOM 0 H ALA A 60 -3.033 15.176 7.172 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.783 17.416 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.907 17.778 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.307 16.064 9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.610 16.598 9.070 1.00 0.00 H new TER 796 ALA A 60