USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 447 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 29 SER OG : rot 180:sc= 0.0522 USER MOD Set 1.2: A 34 THR OG1 : rot -78:sc= 0.0521 USER MOD Set 2.1: A 4 HIS : no HE2:sc= -2.78 K(o=-7.9,f=-9.9) USER MOD Set 2.2: A 6 GLN : amide:sc= -5.11 K(o=-7.9,f=-16!) USER MOD Single : A 1 LEU N :NH3+ -158:sc= 0.00482 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.122 K(o=-0.12,f=-3!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.42) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 134:sc= 0.109 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 1.04 (180deg=0.726) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.59 K(o=-1.6,f=-3!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.994 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= 0.0564 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0436) USER MOD Single : A 50 ASN : amide:sc= 0.167 K(o=0.17,f=-0.38) USER MOD Single : A 52 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.24) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.47 K(o=-2.5,f=-12!) USER MOD Single : A 61 ASN : amide:sc= -2.5 K(o=-2.5,f=0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.354 14.027 0.409 1.00 0.00 N ATOM 2 CA LEU A 1 3.742 13.146 -0.619 1.00 0.00 C ATOM 3 C LEU A 1 2.222 13.250 -0.607 1.00 0.00 C ATOM 4 O LEU A 1 1.652 14.133 0.035 1.00 0.00 O ATOM 5 CB LEU A 1 4.172 11.707 -0.347 1.00 0.00 C ATOM 6 CG LEU A 1 4.982 11.061 -1.470 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.185 11.021 -2.764 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.294 11.801 -1.675 1.00 0.00 C ATOM 0 H1 LEU A 1 5.341 14.229 0.150 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.821 14.919 0.464 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.329 13.551 1.334 1.00 0.00 H new ATOM 0 HA LEU A 1 4.083 13.462 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.764 11.686 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.282 11.104 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 1 5.204 10.035 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.785 10.556 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.274 10.441 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.924 12.036 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.857 11.327 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.089 12.839 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.877 11.769 -0.755 1.00 0.00 H new ATOM 22 N GLU A 2 1.573 12.336 -1.317 1.00 0.00 N ATOM 23 CA GLU A 2 0.117 12.312 -1.391 1.00 0.00 C ATOM 24 C GLU A 2 -0.373 10.940 -1.840 1.00 0.00 C ATOM 25 O GLU A 2 -1.208 10.823 -2.737 1.00 0.00 O ATOM 26 CB GLU A 2 -0.386 13.401 -2.341 1.00 0.00 C ATOM 27 CG GLU A 2 -1.091 14.539 -1.626 1.00 0.00 C ATOM 28 CD GLU A 2 -1.447 15.682 -2.555 1.00 0.00 C ATOM 29 OE1 GLU A 2 -0.589 16.072 -3.374 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.586 16.188 -2.463 1.00 0.00 O ATOM 0 H GLU A 2 2.033 11.599 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.284 12.510 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.457 13.801 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.069 12.956 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.999 14.161 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.451 14.912 -0.826 1.00 0.00 H new ATOM 37 N CYS A 3 0.165 9.904 -1.212 1.00 0.00 N ATOM 38 CA CYS A 3 -0.195 8.535 -1.537 1.00 0.00 C ATOM 39 C CYS A 3 -1.483 8.120 -0.836 1.00 0.00 C ATOM 40 O CYS A 3 -2.120 8.925 -0.156 1.00 0.00 O ATOM 41 CB CYS A 3 0.941 7.601 -1.137 1.00 0.00 C ATOM 42 SG CYS A 3 2.502 7.905 -2.025 1.00 0.00 S ATOM 0 H CYS A 3 0.858 9.989 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.363 8.470 -2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.119 7.701 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.630 6.571 -1.314 1.00 0.00 H new ATOM 47 N HIS A 4 -1.860 6.858 -1.008 1.00 0.00 N ATOM 48 CA HIS A 4 -3.071 6.329 -0.393 1.00 0.00 C ATOM 49 C HIS A 4 -2.748 5.613 0.915 1.00 0.00 C ATOM 50 O HIS A 4 -1.603 5.613 1.367 1.00 0.00 O ATOM 51 CB HIS A 4 -3.775 5.370 -1.354 1.00 0.00 C ATOM 52 CG HIS A 4 -4.142 6.000 -2.663 1.00 0.00 C ATOM 53 ND1 HIS A 4 -5.318 6.693 -2.860 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.479 6.044 -3.844 1.00 0.00 C ATOM 55 CE1 HIS A 4 -5.365 7.134 -4.104 1.00 0.00 C ATOM 56 NE2 HIS A 4 -4.261 6.754 -4.721 1.00 0.00 N ATOM 0 H HIS A 4 -1.343 6.181 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.735 7.165 -0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.127 4.514 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.678 4.988 -0.878 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.039 6.842 -2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.516 5.603 -4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.169 7.707 -4.542 1.00 0.00 H new ATOM 65 N ASN A 5 -3.764 5.004 1.519 1.00 0.00 N ATOM 66 CA ASN A 5 -3.582 4.286 2.775 1.00 0.00 C ATOM 67 C ASN A 5 -4.853 3.537 3.166 1.00 0.00 C ATOM 68 O ASN A 5 -5.189 3.440 4.347 1.00 0.00 O ATOM 69 CB ASN A 5 -3.188 5.259 3.888 1.00 0.00 C ATOM 70 CG ASN A 5 -4.095 6.473 3.942 1.00 0.00 C ATOM 71 OD1 ASN A 5 -3.858 7.470 3.261 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.142 6.393 4.756 1.00 0.00 N ATOM 0 H ASN A 5 -4.719 4.993 1.160 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.783 3.558 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.220 4.742 4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.159 5.584 3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.788 7.178 4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.300 5.546 5.302 1.00 0.00 H new ATOM 79 N GLN A 6 -5.555 3.005 2.170 1.00 0.00 N ATOM 80 CA GLN A 6 -6.786 2.262 2.416 1.00 0.00 C ATOM 81 C GLN A 6 -6.779 0.931 1.668 1.00 0.00 C ATOM 82 O GLN A 6 -6.358 0.860 0.514 1.00 0.00 O ATOM 83 CB GLN A 6 -8.004 3.097 2.001 1.00 0.00 C ATOM 84 CG GLN A 6 -8.178 3.230 0.495 1.00 0.00 C ATOM 85 CD GLN A 6 -7.116 4.104 -0.143 1.00 0.00 C ATOM 86 OE1 GLN A 6 -6.402 4.835 0.544 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.007 4.033 -1.465 1.00 0.00 N ATOM 0 H GLN A 6 -5.293 3.074 1.187 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.849 2.053 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.902 2.645 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.915 4.093 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.148 2.239 0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.162 3.648 0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.620 3.413 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.310 4.598 -1.950 1.00 0.00 H new ATOM 96 N GLN A 7 -7.251 -0.119 2.334 1.00 0.00 N ATOM 97 CA GLN A 7 -7.301 -1.446 1.731 1.00 0.00 C ATOM 98 C GLN A 7 -8.725 -1.790 1.306 1.00 0.00 C ATOM 99 O GLN A 7 -9.680 -1.538 2.040 1.00 0.00 O ATOM 100 CB GLN A 7 -6.778 -2.503 2.709 1.00 0.00 C ATOM 101 CG GLN A 7 -6.997 -2.162 4.175 1.00 0.00 C ATOM 102 CD GLN A 7 -6.520 -3.258 5.106 1.00 0.00 C ATOM 103 OE1 GLN A 7 -7.209 -4.258 5.313 1.00 0.00 O ATOM 104 NE2 GLN A 7 -5.334 -3.077 5.676 1.00 0.00 N ATOM 0 H GLN A 7 -7.604 -0.076 3.290 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.663 -1.440 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.265 -3.454 2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.711 -2.645 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.472 -1.236 4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.058 -1.980 4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.796 -2.234 5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.961 -3.781 6.313 1.00 0.00 H new ATOM 113 N SER A 8 -8.860 -2.367 0.115 1.00 0.00 N ATOM 114 CA SER A 8 -10.169 -2.743 -0.408 1.00 0.00 C ATOM 115 C SER A 8 -11.099 -1.535 -0.463 1.00 0.00 C ATOM 116 O SER A 8 -10.668 -0.399 -0.271 1.00 0.00 O ATOM 117 CB SER A 8 -10.790 -3.842 0.456 1.00 0.00 C ATOM 118 OG SER A 8 -9.827 -4.820 0.808 1.00 0.00 O ATOM 0 H SER A 8 -8.080 -2.584 -0.505 1.00 0.00 H new ATOM 0 HA SER A 8 -10.034 -3.121 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.214 -3.403 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.611 -4.313 -0.084 1.00 0.00 H new ATOM 0 HG SER A 8 -10.249 -5.510 1.361 1.00 0.00 H new ATOM 124 N SER A 9 -12.379 -1.788 -0.727 1.00 0.00 N ATOM 125 CA SER A 9 -13.367 -0.719 -0.806 1.00 0.00 C ATOM 126 C SER A 9 -13.063 0.215 -1.972 1.00 0.00 C ATOM 127 O SER A 9 -12.182 1.070 -1.883 1.00 0.00 O ATOM 128 CB SER A 9 -13.406 0.072 0.503 1.00 0.00 C ATOM 129 OG SER A 9 -14.440 -0.394 1.351 1.00 0.00 O ATOM 0 H SER A 9 -12.754 -2.723 -0.889 1.00 0.00 H new ATOM 0 HA SER A 9 -14.344 -1.174 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.447 -0.015 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.557 1.130 0.288 1.00 0.00 H new ATOM 0 HG SER A 9 -14.442 0.127 2.181 1.00 0.00 H new ATOM 135 N GLN A 10 -13.797 0.043 -3.067 1.00 0.00 N ATOM 136 CA GLN A 10 -13.613 0.865 -4.256 1.00 0.00 C ATOM 137 C GLN A 10 -13.589 2.351 -3.905 1.00 0.00 C ATOM 138 O GLN A 10 -13.813 2.732 -2.756 1.00 0.00 O ATOM 139 CB GLN A 10 -14.727 0.586 -5.263 1.00 0.00 C ATOM 140 CG GLN A 10 -15.025 -0.893 -5.445 1.00 0.00 C ATOM 141 CD GLN A 10 -16.275 -1.331 -4.708 1.00 0.00 C ATOM 142 OE1 GLN A 10 -17.376 -0.867 -5.000 1.00 0.00 O ATOM 143 NE2 GLN A 10 -16.109 -2.229 -3.744 1.00 0.00 N ATOM 0 H GLN A 10 -14.528 -0.663 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.651 0.606 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.635 1.094 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.450 1.014 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.140 -1.109 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.176 -1.477 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.177 -2.587 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.914 -2.561 -3.212 1.00 0.00 H new ATOM 152 N ALA A 11 -13.313 3.185 -4.902 1.00 0.00 N ATOM 153 CA ALA A 11 -13.256 4.628 -4.701 1.00 0.00 C ATOM 154 C ALA A 11 -12.143 5.000 -3.724 1.00 0.00 C ATOM 155 O ALA A 11 -12.405 5.494 -2.627 1.00 0.00 O ATOM 156 CB ALA A 11 -14.598 5.148 -4.206 1.00 0.00 C ATOM 0 H ALA A 11 -13.125 2.886 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.034 5.097 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.539 6.227 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.370 4.923 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.848 4.668 -3.260 1.00 0.00 H new ATOM 162 N PRO A 12 -10.880 4.759 -4.113 1.00 0.00 N ATOM 163 CA PRO A 12 -9.713 5.060 -3.274 1.00 0.00 C ATOM 164 C PRO A 12 -9.746 6.473 -2.699 1.00 0.00 C ATOM 165 O PRO A 12 -10.581 7.292 -3.082 1.00 0.00 O ATOM 166 CB PRO A 12 -8.548 4.902 -4.246 1.00 0.00 C ATOM 167 CG PRO A 12 -9.026 3.857 -5.185 1.00 0.00 C ATOM 168 CD PRO A 12 -10.480 4.165 -5.403 1.00 0.00 C ATOM 0 HA PRO A 12 -9.658 4.411 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.326 5.836 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.636 4.596 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.472 3.886 -6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.892 2.859 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.628 4.858 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.055 3.267 -5.632 1.00 0.00 H new ATOM 176 N THR A 13 -8.826 6.750 -1.780 1.00 0.00 N ATOM 177 CA THR A 13 -8.740 8.063 -1.150 1.00 0.00 C ATOM 178 C THR A 13 -7.318 8.338 -0.673 1.00 0.00 C ATOM 179 O THR A 13 -6.707 7.507 -0.001 1.00 0.00 O ATOM 180 CB THR A 13 -9.715 8.153 0.025 1.00 0.00 C ATOM 181 OG1 THR A 13 -9.996 6.866 0.545 1.00 0.00 O ATOM 182 CG2 THR A 13 -11.035 8.798 -0.341 1.00 0.00 C ATOM 0 H THR A 13 -8.128 6.081 -1.455 1.00 0.00 H new ATOM 0 HA THR A 13 -9.009 8.816 -1.890 1.00 0.00 H new ATOM 0 HB THR A 13 -9.216 8.777 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.620 6.946 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.680 8.831 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.858 9.812 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.519 8.216 -1.125 1.00 0.00 H new ATOM 190 N THR A 14 -6.796 9.509 -1.025 1.00 0.00 N ATOM 191 CA THR A 14 -5.442 9.888 -0.631 1.00 0.00 C ATOM 192 C THR A 14 -5.457 10.745 0.630 1.00 0.00 C ATOM 193 O THR A 14 -6.508 11.219 1.061 1.00 0.00 O ATOM 194 CB THR A 14 -4.741 10.642 -1.764 1.00 0.00 C ATOM 195 OG1 THR A 14 -3.599 11.325 -1.280 1.00 0.00 O ATOM 196 CG2 THR A 14 -5.626 11.660 -2.450 1.00 0.00 C ATOM 0 H THR A 14 -7.287 10.210 -1.580 1.00 0.00 H new ATOM 0 HA THR A 14 -4.890 8.972 -0.420 1.00 0.00 H new ATOM 0 HB THR A 14 -4.468 9.876 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.841 11.161 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.064 12.156 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.493 11.158 -2.880 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.960 12.401 -1.723 1.00 0.00 H new ATOM 204 N LYS A 15 -4.280 10.938 1.214 1.00 0.00 N ATOM 205 CA LYS A 15 -4.145 11.735 2.424 1.00 0.00 C ATOM 206 C LYS A 15 -2.750 12.349 2.512 1.00 0.00 C ATOM 207 O LYS A 15 -2.002 12.351 1.534 1.00 0.00 O ATOM 208 CB LYS A 15 -4.419 10.867 3.655 1.00 0.00 C ATOM 209 CG LYS A 15 -5.679 11.259 4.410 1.00 0.00 C ATOM 210 CD LYS A 15 -5.364 12.137 5.611 1.00 0.00 C ATOM 211 CE LYS A 15 -4.552 11.385 6.654 1.00 0.00 C ATOM 212 NZ LYS A 15 -3.470 12.229 7.230 1.00 0.00 N ATOM 0 H LYS A 15 -3.403 10.551 0.866 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.874 12.544 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.502 9.826 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.566 10.931 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.355 11.789 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.199 10.360 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.811 13.018 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.293 12.491 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.212 11.046 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.116 10.494 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.202 11.860 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.643 12.211 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.808 13.207 7.329 1.00 0.00 H new ATOM 226 N THR A 16 -2.405 12.869 3.685 1.00 0.00 N ATOM 227 CA THR A 16 -1.099 13.485 3.894 1.00 0.00 C ATOM 228 C THR A 16 -0.369 12.830 5.062 1.00 0.00 C ATOM 229 O THR A 16 -0.924 12.686 6.152 1.00 0.00 O ATOM 230 CB THR A 16 -1.255 14.985 4.152 1.00 0.00 C ATOM 231 OG1 THR A 16 -2.064 15.584 3.156 1.00 0.00 O ATOM 232 CG2 THR A 16 0.064 15.727 4.180 1.00 0.00 C ATOM 0 H THR A 16 -3.011 12.876 4.505 1.00 0.00 H new ATOM 0 HA THR A 16 -0.507 13.338 2.991 1.00 0.00 H new ATOM 0 HB THR A 16 -1.718 15.062 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.153 16.543 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.118 16.785 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.693 15.321 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.568 15.610 3.221 1.00 0.00 H new ATOM 240 N CYS A 17 0.879 12.434 4.828 1.00 0.00 N ATOM 241 CA CYS A 17 1.684 11.795 5.863 1.00 0.00 C ATOM 242 C CYS A 17 2.416 12.836 6.703 1.00 0.00 C ATOM 243 O CYS A 17 2.257 14.038 6.497 1.00 0.00 O ATOM 244 CB CYS A 17 2.692 10.832 5.233 1.00 0.00 C ATOM 245 SG CYS A 17 1.937 9.366 4.456 1.00 0.00 S ATOM 0 H CYS A 17 1.354 12.544 3.932 1.00 0.00 H new ATOM 0 HA CYS A 17 1.014 11.234 6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.271 11.370 4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.392 10.503 6.001 1.00 0.00 H new ATOM 250 N SER A 18 3.221 12.364 7.650 1.00 0.00 N ATOM 251 CA SER A 18 3.979 13.254 8.522 1.00 0.00 C ATOM 252 C SER A 18 5.183 13.839 7.789 1.00 0.00 C ATOM 253 O SER A 18 5.394 15.052 7.793 1.00 0.00 O ATOM 254 CB SER A 18 4.443 12.504 9.772 1.00 0.00 C ATOM 255 OG SER A 18 4.645 11.129 9.495 1.00 0.00 O ATOM 0 H SER A 18 3.365 11.371 7.833 1.00 0.00 H new ATOM 0 HA SER A 18 3.325 14.073 8.820 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.369 12.944 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.701 12.614 10.563 1.00 0.00 H new ATOM 0 HG SER A 18 4.943 10.672 10.309 1.00 0.00 H new ATOM 261 N GLY A 19 5.967 12.969 7.161 1.00 0.00 N ATOM 262 CA GLY A 19 7.139 13.419 6.433 1.00 0.00 C ATOM 263 C GLY A 19 8.030 12.272 6.001 1.00 0.00 C ATOM 264 O GLY A 19 9.217 12.240 6.329 1.00 0.00 O ATOM 0 H GLY A 19 5.812 11.961 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.823 13.980 5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.711 14.103 7.059 1.00 0.00 H new ATOM 268 N GLU A 20 7.459 11.326 5.263 1.00 0.00 N ATOM 269 CA GLU A 20 8.208 10.170 4.783 1.00 0.00 C ATOM 270 C GLU A 20 8.973 10.510 3.507 1.00 0.00 C ATOM 271 O GLU A 20 8.926 11.642 3.025 1.00 0.00 O ATOM 272 CB GLU A 20 7.263 8.994 4.529 1.00 0.00 C ATOM 273 CG GLU A 20 7.255 7.969 5.652 1.00 0.00 C ATOM 274 CD GLU A 20 8.588 7.262 5.805 1.00 0.00 C ATOM 275 OE1 GLU A 20 9.335 7.181 4.807 1.00 0.00 O ATOM 276 OE2 GLU A 20 8.885 6.791 6.923 1.00 0.00 O ATOM 0 H GLU A 20 6.478 11.337 4.984 1.00 0.00 H new ATOM 0 HA GLU A 20 8.928 9.888 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.251 9.375 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.550 8.501 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.001 8.464 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.476 7.231 5.460 1.00 0.00 H new ATOM 283 N THR A 21 9.678 9.522 2.966 1.00 0.00 N ATOM 284 CA THR A 21 10.455 9.716 1.747 1.00 0.00 C ATOM 285 C THR A 21 9.840 8.949 0.581 1.00 0.00 C ATOM 286 O THR A 21 9.897 9.393 -0.565 1.00 0.00 O ATOM 287 CB THR A 21 11.902 9.269 1.963 1.00 0.00 C ATOM 288 OG1 THR A 21 11.981 8.309 3.003 1.00 0.00 O ATOM 289 CG2 THR A 21 12.835 10.407 2.318 1.00 0.00 C ATOM 0 H THR A 21 9.727 8.579 3.352 1.00 0.00 H new ATOM 0 HA THR A 21 10.444 10.778 1.504 1.00 0.00 H new ATOM 0 HB THR A 21 12.218 8.846 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.914 8.035 3.125 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.844 10.020 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.836 11.141 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.497 10.880 3.240 1.00 0.00 H new ATOM 297 N ASN A 22 9.255 7.794 0.881 1.00 0.00 N ATOM 298 CA ASN A 22 8.631 6.964 -0.147 1.00 0.00 C ATOM 299 C ASN A 22 7.498 6.130 0.442 1.00 0.00 C ATOM 300 O ASN A 22 7.588 5.649 1.571 1.00 0.00 O ATOM 301 CB ASN A 22 9.664 6.040 -0.807 1.00 0.00 C ATOM 302 CG ASN A 22 11.095 6.498 -0.591 1.00 0.00 C ATOM 303 OD1 ASN A 22 11.616 7.321 -1.343 1.00 0.00 O ATOM 304 ND2 ASN A 22 11.737 5.965 0.443 1.00 0.00 N ATOM 0 H ASN A 22 9.199 7.411 1.825 1.00 0.00 H new ATOM 0 HA ASN A 22 8.221 7.631 -0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.547 5.032 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.463 5.986 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.701 6.235 0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.266 5.286 1.041 1.00 0.00 H new ATOM 311 N CYS A 23 6.434 5.957 -0.336 1.00 0.00 N ATOM 312 CA CYS A 23 5.286 5.182 0.092 1.00 0.00 C ATOM 313 C CYS A 23 5.473 3.716 -0.272 1.00 0.00 C ATOM 314 O CYS A 23 6.577 3.289 -0.610 1.00 0.00 O ATOM 315 CB CYS A 23 4.026 5.725 -0.575 1.00 0.00 C ATOM 316 SG CYS A 23 3.927 7.544 -0.627 1.00 0.00 S ATOM 0 H CYS A 23 6.348 6.349 -1.274 1.00 0.00 H new ATOM 0 HA CYS A 23 5.187 5.263 1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.974 5.341 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.154 5.341 -0.045 1.00 0.00 H new ATOM 321 N TYR A 24 4.392 2.950 -0.211 1.00 0.00 N ATOM 322 CA TYR A 24 4.453 1.537 -0.548 1.00 0.00 C ATOM 323 C TYR A 24 3.079 0.981 -0.880 1.00 0.00 C ATOM 324 O TYR A 24 2.058 1.643 -0.693 1.00 0.00 O ATOM 325 CB TYR A 24 5.067 0.733 0.597 1.00 0.00 C ATOM 326 CG TYR A 24 4.356 0.907 1.920 1.00 0.00 C ATOM 327 CD1 TYR A 24 3.198 0.195 2.207 1.00 0.00 C ATOM 328 CD2 TYR A 24 4.844 1.780 2.883 1.00 0.00 C ATOM 329 CE1 TYR A 24 2.548 0.347 3.417 1.00 0.00 C ATOM 330 CE2 TYR A 24 4.200 1.938 4.096 1.00 0.00 C ATOM 331 CZ TYR A 24 3.052 1.219 4.358 1.00 0.00 C ATOM 332 OH TYR A 24 2.408 1.368 5.566 1.00 0.00 O ATOM 0 H TYR A 24 3.468 3.282 0.067 1.00 0.00 H new ATOM 0 HA TYR A 24 5.084 1.445 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.062 -0.324 0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.110 1.027 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.799 -0.489 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.742 2.345 2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.649 -0.215 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.593 2.621 4.835 1.00 0.00 H new ATOM 0 HH TYR A 24 2.892 2.019 6.117 1.00 0.00 H new ATOM 342 N LYS A 25 3.075 -0.248 -1.366 1.00 0.00 N ATOM 343 CA LYS A 25 1.845 -0.935 -1.727 1.00 0.00 C ATOM 344 C LYS A 25 2.049 -2.439 -1.643 1.00 0.00 C ATOM 345 O LYS A 25 2.863 -3.007 -2.371 1.00 0.00 O ATOM 346 CB LYS A 25 1.398 -0.539 -3.136 1.00 0.00 C ATOM 347 CG LYS A 25 -0.098 -0.680 -3.358 1.00 0.00 C ATOM 348 CD LYS A 25 -0.438 -0.770 -4.837 1.00 0.00 C ATOM 349 CE LYS A 25 -1.468 -1.855 -5.109 1.00 0.00 C ATOM 350 NZ LYS A 25 -2.442 -1.446 -6.158 1.00 0.00 N ATOM 0 H LYS A 25 3.920 -0.797 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 25 1.064 -0.642 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.690 0.494 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.925 -1.157 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.460 -1.572 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.614 0.173 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.821 0.191 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.468 -0.976 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.960 -2.767 -5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.003 -2.087 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.352 -1.920 -5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.577 -0.415 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.078 -1.716 -7.094 1.00 0.00 H new ATOM 364 N LYS A 26 1.323 -3.078 -0.739 1.00 0.00 N ATOM 365 CA LYS A 26 1.440 -4.516 -0.552 1.00 0.00 C ATOM 366 C LYS A 26 0.154 -5.230 -0.935 1.00 0.00 C ATOM 367 O LYS A 26 -0.934 -4.670 -0.828 1.00 0.00 O ATOM 368 CB LYS A 26 1.793 -4.842 0.904 1.00 0.00 C ATOM 369 CG LYS A 26 1.482 -3.726 1.890 1.00 0.00 C ATOM 370 CD LYS A 26 1.761 -4.157 3.321 1.00 0.00 C ATOM 371 CE LYS A 26 2.129 -2.973 4.201 1.00 0.00 C ATOM 372 NZ LYS A 26 1.058 -2.662 5.189 1.00 0.00 N ATOM 0 H LYS A 26 0.647 -2.625 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 26 2.239 -4.867 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.250 -5.738 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.856 -5.078 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.082 -2.848 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.436 -3.434 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.882 -4.655 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.573 -4.884 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.058 -3.188 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.312 -2.099 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.347 -1.849 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.177 -2.432 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.901 -3.487 5.802 1.00 0.00 H new ATOM 386 N TRP A 27 0.288 -6.477 -1.364 1.00 0.00 N ATOM 387 CA TRP A 27 -0.869 -7.276 -1.739 1.00 0.00 C ATOM 388 C TRP A 27 -0.553 -8.759 -1.693 1.00 0.00 C ATOM 389 O TRP A 27 0.610 -9.163 -1.636 1.00 0.00 O ATOM 390 CB TRP A 27 -1.379 -6.915 -3.131 1.00 0.00 C ATOM 391 CG TRP A 27 -0.355 -7.011 -4.198 1.00 0.00 C ATOM 392 CD1 TRP A 27 -0.173 -8.061 -5.016 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.605 -6.018 -4.581 1.00 0.00 C ATOM 394 NE1 TRP A 27 0.848 -7.810 -5.890 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.345 -6.559 -5.644 1.00 0.00 C ATOM 396 CE3 TRP A 27 0.913 -4.731 -4.129 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.376 -5.861 -6.268 1.00 0.00 C ATOM 398 CZ3 TRP A 27 1.936 -4.038 -4.751 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.657 -4.604 -5.808 1.00 0.00 C ATOM 0 H TRP A 27 1.183 -6.956 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.649 -7.052 -1.011 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.212 -7.572 -3.382 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.771 -5.898 -3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.751 -8.973 -4.987 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.185 -8.451 -6.609 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.364 -4.287 -3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.933 -6.296 -7.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.183 -3.042 -4.415 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.452 -4.037 -6.270 1.00 0.00 H new ATOM 410 N TRP A 28 -1.602 -9.563 -1.721 1.00 0.00 N ATOM 411 CA TRP A 28 -1.459 -11.011 -1.685 1.00 0.00 C ATOM 412 C TRP A 28 -2.718 -11.690 -2.211 1.00 0.00 C ATOM 413 O TRP A 28 -3.700 -11.027 -2.550 1.00 0.00 O ATOM 414 CB TRP A 28 -1.188 -11.467 -0.257 1.00 0.00 C ATOM 415 CG TRP A 28 -2.186 -10.940 0.703 1.00 0.00 C ATOM 416 CD1 TRP A 28 -3.350 -11.533 1.064 1.00 0.00 C ATOM 417 CD2 TRP A 28 -2.118 -9.701 1.417 1.00 0.00 C ATOM 418 NE1 TRP A 28 -4.012 -10.746 1.959 1.00 0.00 N ATOM 419 CE2 TRP A 28 -3.279 -9.616 2.198 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.187 -8.659 1.475 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.543 -8.533 3.029 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.449 -7.581 2.301 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.619 -7.526 3.070 1.00 0.00 C ATOM 0 H TRP A 28 -2.567 -9.237 -1.769 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.621 -11.292 -2.322 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.192 -12.556 -0.219 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.192 -11.141 0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.701 -12.486 0.697 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.913 -10.965 2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.282 -8.695 0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.445 -8.489 3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.740 -6.768 2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.794 -6.672 3.707 1.00 0.00 H new ATOM 434 N SER A 29 -2.681 -13.016 -2.266 1.00 0.00 N ATOM 435 CA SER A 29 -3.818 -13.794 -2.744 1.00 0.00 C ATOM 436 C SER A 29 -4.185 -14.886 -1.745 1.00 0.00 C ATOM 437 O SER A 29 -3.605 -15.972 -1.754 1.00 0.00 O ATOM 438 CB SER A 29 -3.500 -14.418 -4.104 1.00 0.00 C ATOM 439 OG SER A 29 -3.918 -13.572 -5.162 1.00 0.00 O ATOM 0 H SER A 29 -1.876 -13.575 -1.985 1.00 0.00 H new ATOM 0 HA SER A 29 -4.669 -13.121 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.428 -14.601 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.996 -15.385 -4.189 1.00 0.00 H new ATOM 0 HG SER A 29 -3.703 -13.992 -6.021 1.00 0.00 H new ATOM 445 N ASP A 30 -5.154 -14.592 -0.883 1.00 0.00 N ATOM 446 CA ASP A 30 -5.598 -15.549 0.121 1.00 0.00 C ATOM 447 C ASP A 30 -6.763 -16.387 -0.401 1.00 0.00 C ATOM 448 O ASP A 30 -7.001 -16.452 -1.607 1.00 0.00 O ATOM 449 CB ASP A 30 -6.008 -14.821 1.403 1.00 0.00 C ATOM 450 CG ASP A 30 -5.550 -15.547 2.653 1.00 0.00 C ATOM 451 OD1 ASP A 30 -4.410 -16.059 2.658 1.00 0.00 O ATOM 452 OD2 ASP A 30 -6.330 -15.604 3.626 1.00 0.00 O ATOM 0 H ASP A 30 -5.646 -13.699 -0.861 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.766 -16.218 0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.588 -13.815 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.092 -14.714 1.425 1.00 0.00 H new ATOM 457 N HIS A 31 -7.484 -17.026 0.514 1.00 0.00 N ATOM 458 CA HIS A 31 -8.623 -17.859 0.145 1.00 0.00 C ATOM 459 C HIS A 31 -9.793 -17.004 -0.330 1.00 0.00 C ATOM 460 O HIS A 31 -10.445 -17.323 -1.325 1.00 0.00 O ATOM 461 CB HIS A 31 -9.056 -18.724 1.330 1.00 0.00 C ATOM 462 CG HIS A 31 -9.208 -17.957 2.607 1.00 0.00 C ATOM 463 ND1 HIS A 31 -10.283 -17.132 2.865 1.00 0.00 N ATOM 464 CD2 HIS A 31 -8.413 -17.892 3.702 1.00 0.00 C ATOM 465 CE1 HIS A 31 -10.142 -16.593 4.064 1.00 0.00 C ATOM 466 NE2 HIS A 31 -9.017 -17.037 4.591 1.00 0.00 N ATOM 0 H HIS A 31 -7.300 -16.983 1.516 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.315 -18.507 -0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.004 -19.206 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.323 -19.517 1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.479 -18.415 3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.831 -15.906 4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.654 -16.786 5.511 1.00 0.00 H new ATOM 475 N ARG A 32 -10.054 -15.916 0.387 1.00 0.00 N ATOM 476 CA ARG A 32 -11.145 -15.013 0.037 1.00 0.00 C ATOM 477 C ARG A 32 -10.902 -14.366 -1.323 1.00 0.00 C ATOM 478 O ARG A 32 -11.845 -14.042 -2.044 1.00 0.00 O ATOM 479 CB ARG A 32 -11.304 -13.932 1.109 1.00 0.00 C ATOM 480 CG ARG A 32 -12.250 -14.324 2.232 1.00 0.00 C ATOM 481 CD ARG A 32 -13.132 -13.159 2.652 1.00 0.00 C ATOM 482 NE ARG A 32 -12.401 -12.180 3.454 1.00 0.00 N ATOM 483 CZ ARG A 32 -12.989 -11.271 4.230 1.00 0.00 C ATOM 484 NH1 ARG A 32 -14.312 -11.212 4.309 1.00 0.00 N ATOM 485 NH2 ARG A 32 -12.250 -10.419 4.927 1.00 0.00 N ATOM 0 H ARG A 32 -9.525 -15.638 1.214 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.063 -15.598 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.325 -13.705 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.669 -13.018 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.875 -15.156 1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.674 -14.673 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.536 -12.672 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.981 -13.535 3.223 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.382 -12.194 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.884 -11.865 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.757 -10.514 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.233 -10.460 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.699 -9.722 5.522 1.00 0.00 H new ATOM 499 N GLY A 33 -9.631 -14.181 -1.665 1.00 0.00 N ATOM 500 CA GLY A 33 -9.287 -13.574 -2.937 1.00 0.00 C ATOM 501 C GLY A 33 -7.962 -12.837 -2.887 1.00 0.00 C ATOM 502 O GLY A 33 -6.927 -13.428 -2.582 1.00 0.00 O ATOM 0 H GLY A 33 -8.834 -14.441 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.241 -14.347 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.075 -12.880 -3.230 1.00 0.00 H new ATOM 506 N THR A 34 -7.997 -11.542 -3.184 1.00 0.00 N ATOM 507 CA THR A 34 -6.791 -10.723 -3.171 1.00 0.00 C ATOM 508 C THR A 34 -7.006 -9.452 -2.355 1.00 0.00 C ATOM 509 O THR A 34 -8.074 -8.841 -2.409 1.00 0.00 O ATOM 510 CB THR A 34 -6.378 -10.363 -4.599 1.00 0.00 C ATOM 511 OG1 THR A 34 -6.410 -11.507 -5.432 1.00 0.00 O ATOM 512 CG2 THR A 34 -4.990 -9.766 -4.689 1.00 0.00 C ATOM 0 H THR A 34 -8.847 -11.038 -3.436 1.00 0.00 H new ATOM 0 HA THR A 34 -5.993 -11.302 -2.705 1.00 0.00 H new ATOM 0 HB THR A 34 -7.098 -9.614 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.614 -12.054 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.760 -9.534 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.948 -8.853 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.261 -10.481 -4.307 1.00 0.00 H new ATOM 520 N ILE A 35 -5.985 -9.058 -1.603 1.00 0.00 N ATOM 521 CA ILE A 35 -6.063 -7.857 -0.776 1.00 0.00 C ATOM 522 C ILE A 35 -4.854 -6.957 -1.008 1.00 0.00 C ATOM 523 O ILE A 35 -3.772 -7.436 -1.342 1.00 0.00 O ATOM 524 CB ILE A 35 -6.150 -8.206 0.721 1.00 0.00 C ATOM 525 CG1 ILE A 35 -7.214 -9.279 0.957 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.455 -6.960 1.539 1.00 0.00 C ATOM 527 CD1 ILE A 35 -7.319 -9.718 2.401 1.00 0.00 C ATOM 0 H ILE A 35 -5.094 -9.551 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.971 -7.329 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.186 -8.601 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.182 -8.898 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.987 -10.147 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.513 -7.223 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.664 -6.225 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.407 -6.538 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.093 -10.480 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.364 -10.129 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.576 -8.861 3.024 1.00 0.00 H new ATOM 539 N ILE A 36 -5.045 -5.650 -0.836 1.00 0.00 N ATOM 540 CA ILE A 36 -3.964 -4.692 -1.036 1.00 0.00 C ATOM 541 C ILE A 36 -4.001 -3.573 0.008 1.00 0.00 C ATOM 542 O ILE A 36 -5.042 -2.953 0.224 1.00 0.00 O ATOM 543 CB ILE A 36 -4.033 -4.064 -2.448 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.279 -3.183 -2.587 1.00 0.00 C ATOM 545 CG2 ILE A 36 -4.029 -5.151 -3.514 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.453 -2.592 -3.970 1.00 0.00 C ATOM 0 H ILE A 36 -5.934 -5.234 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.031 -5.245 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.152 -3.437 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.161 -3.774 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.224 -2.373 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.078 -4.692 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.114 -5.738 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.892 -5.802 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.355 -1.981 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.589 -1.973 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.540 -3.396 -4.701 1.00 0.00 H new ATOM 558 N GLU A 37 -2.860 -3.310 0.646 1.00 0.00 N ATOM 559 CA GLU A 37 -2.775 -2.256 1.651 1.00 0.00 C ATOM 560 C GLU A 37 -1.660 -1.273 1.309 1.00 0.00 C ATOM 561 O GLU A 37 -0.793 -1.565 0.485 1.00 0.00 O ATOM 562 CB GLU A 37 -2.548 -2.844 3.048 1.00 0.00 C ATOM 563 CG GLU A 37 -2.003 -4.261 3.045 1.00 0.00 C ATOM 564 CD GLU A 37 -1.500 -4.696 4.408 1.00 0.00 C ATOM 565 OE1 GLU A 37 -1.721 -3.955 5.388 1.00 0.00 O ATOM 566 OE2 GLU A 37 -0.884 -5.780 4.494 1.00 0.00 O ATOM 0 H GLU A 37 -1.987 -3.811 0.484 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.725 -1.722 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.856 -2.202 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.492 -2.831 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.784 -4.946 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.190 -4.332 2.322 1.00 0.00 H new ATOM 573 N ARG A 38 -1.691 -0.103 1.940 1.00 0.00 N ATOM 574 CA ARG A 38 -0.685 0.925 1.696 1.00 0.00 C ATOM 575 C ARG A 38 -0.398 1.733 2.958 1.00 0.00 C ATOM 576 O ARG A 38 -0.917 1.431 4.033 1.00 0.00 O ATOM 577 CB ARG A 38 -1.149 1.863 0.579 1.00 0.00 C ATOM 578 CG ARG A 38 -1.516 1.145 -0.709 1.00 0.00 C ATOM 579 CD ARG A 38 -2.985 0.755 -0.732 1.00 0.00 C ATOM 580 NE ARG A 38 -3.772 1.643 -1.585 1.00 0.00 N ATOM 581 CZ ARG A 38 -4.963 1.326 -2.089 1.00 0.00 C ATOM 582 NH1 ARG A 38 -5.511 0.147 -1.823 1.00 0.00 N ATOM 583 NH2 ARG A 38 -5.607 2.192 -2.858 1.00 0.00 N ATOM 0 H ARG A 38 -2.402 0.157 2.624 1.00 0.00 H new ATOM 0 HA ARG A 38 0.235 0.425 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.013 2.429 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.358 2.584 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.296 1.789 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.900 0.252 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.083 -0.271 -1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.383 0.780 0.282 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.386 2.560 -1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.020 -0.522 -1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.424 -0.091 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.190 3.100 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.519 1.950 -3.245 1.00 0.00 H new ATOM 597 N GLY A 39 0.432 2.763 2.816 1.00 0.00 N ATOM 598 CA GLY A 39 0.776 3.604 3.948 1.00 0.00 C ATOM 599 C GLY A 39 1.861 4.609 3.612 1.00 0.00 C ATOM 600 O GLY A 39 1.768 5.321 2.612 1.00 0.00 O ATOM 0 H GLY A 39 0.873 3.030 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.114 4.134 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.109 2.977 4.775 1.00 0.00 H new ATOM 604 N CYS A 40 2.892 4.669 4.449 1.00 0.00 N ATOM 605 CA CYS A 40 3.998 5.596 4.234 1.00 0.00 C ATOM 606 C CYS A 40 5.304 5.014 4.771 1.00 0.00 C ATOM 607 O CYS A 40 5.478 4.864 5.980 1.00 0.00 O ATOM 608 CB CYS A 40 3.702 6.938 4.906 1.00 0.00 C ATOM 609 SG CYS A 40 3.527 8.327 3.739 1.00 0.00 S ATOM 0 H CYS A 40 2.985 4.087 5.282 1.00 0.00 H new ATOM 0 HA CYS A 40 4.108 5.755 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.785 6.847 5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.504 7.166 5.609 1.00 0.00 H new ATOM 614 N GLY A 41 6.218 4.690 3.861 1.00 0.00 N ATOM 615 CA GLY A 41 7.496 4.127 4.258 1.00 0.00 C ATOM 616 C GLY A 41 8.011 3.110 3.258 1.00 0.00 C ATOM 617 O GLY A 41 7.701 3.191 2.069 1.00 0.00 O ATOM 0 H GLY A 41 6.096 4.807 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.226 4.929 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.395 3.654 5.235 1.00 0.00 H new ATOM 621 N CYS A 42 8.797 2.151 3.737 1.00 0.00 N ATOM 622 CA CYS A 42 9.348 1.117 2.869 1.00 0.00 C ATOM 623 C CYS A 42 9.789 -0.103 3.678 1.00 0.00 C ATOM 624 O CYS A 42 10.966 -0.467 3.679 1.00 0.00 O ATOM 625 CB CYS A 42 10.525 1.670 2.063 1.00 0.00 C ATOM 626 SG CYS A 42 11.186 0.507 0.826 1.00 0.00 S ATOM 0 H CYS A 42 9.066 2.069 4.718 1.00 0.00 H new ATOM 0 HA CYS A 42 8.564 0.803 2.180 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.209 2.582 1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.325 1.947 2.750 1.00 0.00 H new ATOM 631 N PRO A 43 8.845 -0.753 4.381 1.00 0.00 N ATOM 632 CA PRO A 43 9.139 -1.933 5.195 1.00 0.00 C ATOM 633 C PRO A 43 9.239 -3.207 4.360 1.00 0.00 C ATOM 634 O PRO A 43 9.302 -3.151 3.131 1.00 0.00 O ATOM 635 CB PRO A 43 7.935 -2.004 6.133 1.00 0.00 C ATOM 636 CG PRO A 43 6.811 -1.435 5.338 1.00 0.00 C ATOM 637 CD PRO A 43 7.416 -0.386 4.438 1.00 0.00 C ATOM 0 HA PRO A 43 10.100 -1.855 5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.728 -3.030 6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.107 -1.431 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.317 -2.211 4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.055 -0.998 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.960 -0.397 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.276 0.617 4.842 1.00 0.00 H new ATOM 645 N LYS A 44 9.256 -4.352 5.034 1.00 0.00 N ATOM 646 CA LYS A 44 9.349 -5.639 4.355 1.00 0.00 C ATOM 647 C LYS A 44 8.343 -6.631 4.932 1.00 0.00 C ATOM 648 O LYS A 44 7.538 -6.281 5.795 1.00 0.00 O ATOM 649 CB LYS A 44 10.768 -6.201 4.474 1.00 0.00 C ATOM 650 CG LYS A 44 11.566 -6.114 3.181 1.00 0.00 C ATOM 651 CD LYS A 44 12.838 -5.300 3.361 1.00 0.00 C ATOM 652 CE LYS A 44 14.032 -6.192 3.659 1.00 0.00 C ATOM 653 NZ LYS A 44 14.343 -6.238 5.114 1.00 0.00 N ATOM 0 H LYS A 44 9.207 -4.415 6.051 1.00 0.00 H new ATOM 0 HA LYS A 44 9.116 -5.485 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.300 -5.660 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.712 -7.243 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.821 -7.118 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.951 -5.662 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.031 -4.721 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.703 -4.587 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.830 -7.201 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.902 -5.827 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.163 -6.857 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.561 -5.279 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.522 -6.610 5.633 1.00 0.00 H new ATOM 667 N VAL A 45 8.393 -7.868 4.449 1.00 0.00 N ATOM 668 CA VAL A 45 7.484 -8.907 4.919 1.00 0.00 C ATOM 669 C VAL A 45 8.045 -10.300 4.649 1.00 0.00 C ATOM 670 O VAL A 45 8.995 -10.460 3.882 1.00 0.00 O ATOM 671 CB VAL A 45 6.100 -8.788 4.253 1.00 0.00 C ATOM 672 CG1 VAL A 45 5.323 -7.620 4.838 1.00 0.00 C ATOM 673 CG2 VAL A 45 6.246 -8.641 2.746 1.00 0.00 C ATOM 0 H VAL A 45 9.052 -8.175 3.734 1.00 0.00 H new ATOM 0 HA VAL A 45 7.377 -8.765 5.994 1.00 0.00 H new ATOM 0 HB VAL A 45 5.540 -9.701 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.348 -7.553 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.187 -7.773 5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.875 -6.695 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.259 -8.558 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.825 -7.745 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.759 -9.514 2.343 1.00 0.00 H new ATOM 683 N LYS A 46 7.453 -11.303 5.289 1.00 0.00 N ATOM 684 CA LYS A 46 7.884 -12.675 5.129 1.00 0.00 C ATOM 685 C LYS A 46 7.336 -13.274 3.837 1.00 0.00 C ATOM 686 O LYS A 46 6.213 -12.973 3.432 1.00 0.00 O ATOM 687 CB LYS A 46 7.437 -13.517 6.326 1.00 0.00 C ATOM 688 CG LYS A 46 8.406 -13.474 7.496 1.00 0.00 C ATOM 689 CD LYS A 46 9.279 -14.717 7.545 1.00 0.00 C ATOM 690 CE LYS A 46 8.757 -15.726 8.554 1.00 0.00 C ATOM 691 NZ LYS A 46 7.355 -16.132 8.259 1.00 0.00 N ATOM 0 H LYS A 46 6.667 -11.183 5.928 1.00 0.00 H new ATOM 0 HA LYS A 46 8.973 -12.681 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.460 -13.168 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.313 -14.551 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.037 -12.589 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.848 -13.383 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.317 -15.175 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.300 -14.436 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.398 -16.607 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.808 -15.298 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.082 -16.917 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.719 -15.325 8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.284 -16.438 7.268 1.00 0.00 H new ATOM 705 N PRO A 47 8.133 -14.126 3.167 1.00 0.00 N ATOM 706 CA PRO A 47 7.751 -14.767 1.917 1.00 0.00 C ATOM 707 C PRO A 47 6.276 -15.159 1.881 1.00 0.00 C ATOM 708 O PRO A 47 5.759 -15.764 2.821 1.00 0.00 O ATOM 709 CB PRO A 47 8.634 -16.013 1.878 1.00 0.00 C ATOM 710 CG PRO A 47 9.777 -15.764 2.798 1.00 0.00 C ATOM 711 CD PRO A 47 9.484 -14.515 3.578 1.00 0.00 C ATOM 0 HA PRO A 47 7.883 -14.101 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.073 -16.894 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.988 -16.203 0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.915 -16.610 3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.703 -15.652 2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.534 -14.698 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.207 -13.730 3.355 1.00 0.00 H new ATOM 719 N GLY A 48 5.603 -14.803 0.792 1.00 0.00 N ATOM 720 CA GLY A 48 4.193 -15.118 0.651 1.00 0.00 C ATOM 721 C GLY A 48 3.363 -13.891 0.334 1.00 0.00 C ATOM 722 O GLY A 48 2.346 -13.978 -0.354 1.00 0.00 O ATOM 0 H GLY A 48 6.010 -14.301 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.064 -15.856 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.830 -15.572 1.573 1.00 0.00 H new ATOM 726 N VAL A 49 3.805 -12.742 0.835 1.00 0.00 N ATOM 727 CA VAL A 49 3.108 -11.484 0.604 1.00 0.00 C ATOM 728 C VAL A 49 3.952 -10.549 -0.255 1.00 0.00 C ATOM 729 O VAL A 49 5.171 -10.482 -0.100 1.00 0.00 O ATOM 730 CB VAL A 49 2.770 -10.778 1.932 1.00 0.00 C ATOM 731 CG1 VAL A 49 1.903 -9.554 1.682 1.00 0.00 C ATOM 732 CG2 VAL A 49 2.087 -11.743 2.890 1.00 0.00 C ATOM 0 H VAL A 49 4.646 -12.657 1.406 1.00 0.00 H new ATOM 0 HA VAL A 49 2.180 -11.721 0.083 1.00 0.00 H new ATOM 0 HB VAL A 49 3.700 -10.444 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.675 -9.069 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.437 -8.856 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.975 -9.858 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.856 -11.228 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.165 -12.111 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.751 -12.583 3.095 1.00 0.00 H new ATOM 742 N ASN A 50 3.299 -9.830 -1.164 1.00 0.00 N ATOM 743 CA ASN A 50 4.001 -8.903 -2.046 1.00 0.00 C ATOM 744 C ASN A 50 3.952 -7.482 -1.497 1.00 0.00 C ATOM 745 O ASN A 50 2.988 -7.091 -0.839 1.00 0.00 O ATOM 746 CB ASN A 50 3.401 -8.933 -3.455 1.00 0.00 C ATOM 747 CG ASN A 50 2.823 -10.288 -3.821 1.00 0.00 C ATOM 748 OD1 ASN A 50 3.555 -11.214 -4.171 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.503 -10.409 -3.742 1.00 0.00 N ATOM 0 H ASN A 50 2.290 -9.871 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 50 5.042 -9.222 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.618 -8.178 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.171 -8.664 -4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.057 -11.296 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.935 -9.615 -3.447 1.00 0.00 H new ATOM 756 N LEU A 51 5.000 -6.716 -1.773 1.00 0.00 N ATOM 757 CA LEU A 51 5.088 -5.340 -1.313 1.00 0.00 C ATOM 758 C LEU A 51 6.108 -4.562 -2.143 1.00 0.00 C ATOM 759 O LEU A 51 7.110 -5.123 -2.588 1.00 0.00 O ATOM 760 CB LEU A 51 5.483 -5.312 0.164 1.00 0.00 C ATOM 761 CG LEU A 51 5.792 -3.928 0.731 1.00 0.00 C ATOM 762 CD1 LEU A 51 4.505 -3.199 1.076 1.00 0.00 C ATOM 763 CD2 LEU A 51 6.688 -4.052 1.950 1.00 0.00 C ATOM 0 H LEU A 51 5.804 -7.029 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 51 4.113 -4.868 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.675 -5.753 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.359 -5.946 0.301 1.00 0.00 H new ATOM 0 HG LEU A 51 6.319 -3.345 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.741 -2.214 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.898 -3.087 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.951 -3.772 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.902 -3.060 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.185 -4.647 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.621 -4.539 1.668 1.00 0.00 H new ATOM 775 N ASN A 52 5.857 -3.271 -2.348 1.00 0.00 N ATOM 776 CA ASN A 52 6.775 -2.441 -3.126 1.00 0.00 C ATOM 777 C ASN A 52 6.670 -0.961 -2.751 1.00 0.00 C ATOM 778 O ASN A 52 5.576 -0.399 -2.688 1.00 0.00 O ATOM 779 CB ASN A 52 6.524 -2.634 -4.628 1.00 0.00 C ATOM 780 CG ASN A 52 5.411 -1.753 -5.167 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.627 -0.950 -6.075 1.00 0.00 O ATOM 782 ND2 ASN A 52 4.216 -1.898 -4.610 1.00 0.00 N ATOM 0 H ASN A 52 5.036 -2.781 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 52 7.789 -2.763 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.443 -2.421 -5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.276 -3.678 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.431 -1.332 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.082 -2.576 -3.860 1.00 0.00 H new ATOM 789 N CYS A 53 7.825 -0.340 -2.511 1.00 0.00 N ATOM 790 CA CYS A 53 7.896 1.069 -2.151 1.00 0.00 C ATOM 791 C CYS A 53 8.034 1.935 -3.398 1.00 0.00 C ATOM 792 O CYS A 53 8.585 1.500 -4.409 1.00 0.00 O ATOM 793 CB CYS A 53 9.085 1.310 -1.219 1.00 0.00 C ATOM 794 SG CYS A 53 9.535 -0.119 -0.175 1.00 0.00 S ATOM 0 H CYS A 53 8.733 -0.801 -2.561 1.00 0.00 H new ATOM 0 HA CYS A 53 6.974 1.342 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.950 1.591 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.857 2.158 -0.573 1.00 0.00 H new ATOM 799 N CYS A 54 7.533 3.163 -3.321 1.00 0.00 N ATOM 800 CA CYS A 54 7.604 4.087 -4.448 1.00 0.00 C ATOM 801 C CYS A 54 7.630 5.520 -3.978 1.00 0.00 C ATOM 802 O CYS A 54 7.223 5.840 -2.863 1.00 0.00 O ATOM 803 CB CYS A 54 6.434 3.867 -5.407 1.00 0.00 C ATOM 804 SG CYS A 54 4.850 3.510 -4.580 1.00 0.00 S ATOM 0 H CYS A 54 7.074 3.541 -2.492 1.00 0.00 H new ATOM 0 HA CYS A 54 8.533 3.885 -4.981 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.315 4.755 -6.028 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.677 3.041 -6.075 1.00 0.00 H new ATOM 809 N ARG A 55 8.154 6.367 -4.839 1.00 0.00 N ATOM 810 CA ARG A 55 8.299 7.768 -4.542 1.00 0.00 C ATOM 811 C ARG A 55 7.463 8.630 -5.487 1.00 0.00 C ATOM 812 O ARG A 55 7.908 9.687 -5.934 1.00 0.00 O ATOM 813 CB ARG A 55 9.776 8.135 -4.648 1.00 0.00 C ATOM 814 CG ARG A 55 10.700 6.948 -4.897 1.00 0.00 C ATOM 815 CD ARG A 55 12.146 7.291 -4.579 1.00 0.00 C ATOM 816 NE ARG A 55 12.532 8.577 -5.144 1.00 0.00 N ATOM 817 CZ ARG A 55 13.739 9.119 -5.003 1.00 0.00 C ATOM 818 NH1 ARG A 55 14.682 8.487 -4.315 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.005 10.296 -5.551 1.00 0.00 N ATOM 0 H ARG A 55 8.490 6.099 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 55 7.937 7.959 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.903 8.855 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.082 8.632 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.382 6.104 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.620 6.635 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.286 7.312 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.799 6.511 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 55 11.835 9.093 -5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.483 7.581 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.605 8.908 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.284 10.786 -6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.930 10.711 -5.443 1.00 0.00 H new ATOM 833 N THR A 56 6.249 8.176 -5.784 1.00 0.00 N ATOM 834 CA THR A 56 5.357 8.914 -6.670 1.00 0.00 C ATOM 835 C THR A 56 4.001 9.136 -6.007 1.00 0.00 C ATOM 836 O THR A 56 3.535 8.303 -5.230 1.00 0.00 O ATOM 837 CB THR A 56 5.178 8.166 -7.995 1.00 0.00 C ATOM 838 OG1 THR A 56 6.039 7.042 -8.061 1.00 0.00 O ATOM 839 CG2 THR A 56 5.458 9.026 -9.209 1.00 0.00 C ATOM 0 H THR A 56 5.862 7.303 -5.425 1.00 0.00 H new ATOM 0 HA THR A 56 5.808 9.885 -6.873 1.00 0.00 H new ATOM 0 HB THR A 56 4.131 7.863 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.907 6.578 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.313 8.436 -10.114 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.777 9.877 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.486 9.385 -9.171 1.00 0.00 H new ATOM 847 N ASP A 57 3.372 10.265 -6.316 1.00 0.00 N ATOM 848 CA ASP A 57 2.073 10.594 -5.753 1.00 0.00 C ATOM 849 C ASP A 57 1.035 9.546 -6.143 1.00 0.00 C ATOM 850 O ASP A 57 0.843 9.260 -7.324 1.00 0.00 O ATOM 851 CB ASP A 57 1.633 11.975 -6.234 1.00 0.00 C ATOM 852 CG ASP A 57 1.678 12.101 -7.744 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.759 12.424 -8.280 1.00 0.00 O ATOM 854 OD2 ASP A 57 0.633 11.880 -8.390 1.00 0.00 O ATOM 0 H ASP A 57 3.744 10.967 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 57 2.158 10.604 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.619 12.172 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.277 12.734 -5.789 1.00 0.00 H new ATOM 859 N ARG A 58 0.373 8.970 -5.143 1.00 0.00 N ATOM 860 CA ARG A 58 -0.639 7.948 -5.388 1.00 0.00 C ATOM 861 C ARG A 58 -0.033 6.753 -6.119 1.00 0.00 C ATOM 862 O ARG A 58 -0.733 6.018 -6.816 1.00 0.00 O ATOM 863 CB ARG A 58 -1.793 8.527 -6.208 1.00 0.00 C ATOM 864 CG ARG A 58 -2.629 9.541 -5.446 1.00 0.00 C ATOM 865 CD ARG A 58 -3.883 9.919 -6.219 1.00 0.00 C ATOM 866 NE ARG A 58 -4.555 11.079 -5.639 1.00 0.00 N ATOM 867 CZ ARG A 58 -5.738 11.531 -6.048 1.00 0.00 C ATOM 868 NH1 ARG A 58 -6.382 10.925 -7.038 1.00 0.00 N ATOM 869 NH2 ARG A 58 -6.278 12.592 -5.467 1.00 0.00 N ATOM 0 H ARG A 58 0.519 9.193 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.021 7.611 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.390 9.000 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.437 7.713 -6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.908 9.130 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.035 10.434 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.620 10.133 -7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.569 9.072 -6.233 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.090 11.571 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.970 10.108 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.288 11.276 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.787 13.062 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.185 12.939 -5.780 1.00 0.00 H new ATOM 883 N CYS A 59 1.273 6.567 -5.956 1.00 0.00 N ATOM 884 CA CYS A 59 1.981 5.472 -6.597 1.00 0.00 C ATOM 885 C CYS A 59 1.454 4.119 -6.123 1.00 0.00 C ATOM 886 O CYS A 59 1.521 3.128 -6.849 1.00 0.00 O ATOM 887 CB CYS A 59 3.474 5.582 -6.304 1.00 0.00 C ATOM 888 SG CYS A 59 3.911 5.308 -4.557 1.00 0.00 S ATOM 0 H CYS A 59 1.863 7.167 -5.380 1.00 0.00 H new ATOM 0 HA CYS A 59 1.814 5.540 -7.672 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.008 4.858 -6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.820 6.571 -6.603 1.00 0.00 H new ATOM 893 N ASN A 60 0.940 4.084 -4.898 1.00 0.00 N ATOM 894 CA ASN A 60 0.412 2.851 -4.325 1.00 0.00 C ATOM 895 C ASN A 60 -1.105 2.778 -4.479 1.00 0.00 C ATOM 896 O ASN A 60 -1.784 2.102 -3.707 1.00 0.00 O ATOM 897 CB ASN A 60 0.792 2.753 -2.847 1.00 0.00 C ATOM 898 CG ASN A 60 0.224 3.893 -2.025 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.749 4.536 -2.422 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.830 4.150 -0.872 1.00 0.00 N ATOM 0 H ASN A 60 0.878 4.895 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 60 0.850 2.012 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.433 1.805 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.878 2.748 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.493 4.906 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.633 3.592 -0.582 1.00 0.00 H new ATOM 907 N ASN A 61 -1.632 3.480 -5.476 1.00 0.00 N ATOM 908 CA ASN A 61 -3.063 3.495 -5.726 1.00 0.00 C ATOM 909 C ASN A 61 -3.555 2.123 -6.181 1.00 0.00 C ATOM 910 O ASN A 61 -2.959 1.565 -7.127 1.00 0.00 O ATOM 911 CB ASN A 61 -3.393 4.553 -6.779 1.00 0.00 C ATOM 912 CG ASN A 61 -2.882 4.187 -8.158 1.00 0.00 C ATOM 913 OD1 ASN A 61 -1.810 4.629 -8.574 1.00 0.00 O ATOM 914 ND2 ASN A 61 -3.648 3.374 -8.878 1.00 0.00 N ATOM 915 OXT ASN A 61 -4.530 1.618 -5.586 1.00 0.00 O ATOM 0 H ASN A 61 -1.085 4.047 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.574 3.743 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.473 4.692 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.960 5.507 -6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.355 3.093 -9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.529 3.031 -8.495 1.00 0.00 H new