USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 hydrogens (2 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 62 ASN : amide:sc= 0.316 K(o=1.2,f=-9.8!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -147:sc= 0.905 (180deg=0.602) USER MOD Set 2.1: A 31 GLN : amide:sc= -0.138 K(o=0.2,f=-7.7!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 175:sc= 0.334 (180deg=0) USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= 0.957 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.832 K(o=1.8,f=1.1) USER MOD Single : A 1 LYS N :NH3+ 140:sc= 0.992 (180deg=-1.32) USER MOD Single : A 1 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.00777 X(o=-0.0078,f=-0.16) USER MOD Single : A 10 THR OG1 : rot 62:sc= 1.31 USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= 2.33 (180deg=-0.705) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= 1.13 (180deg=-2.59!) USER MOD Single : A 22 ASN : amide:sc= 0.355 K(o=0.35,f=-5.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -147:sc= 1.44 USER MOD Single : A 40 TYR OH : rot -57:sc= 0.699 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -69:sc= 1.05 USER MOD Single : A 50 HIS : no HE2:sc= 0.606 K(o=0.61,f=-2.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.095 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 49:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.665 1.129 1.667 1.00 1.00 N ATOM 2 CA LYS A 1 -9.610 0.154 1.447 1.00 1.00 C ATOM 3 C LYS A 1 -9.040 0.334 0.039 1.00 1.00 C ATOM 4 O LYS A 1 -8.725 -0.644 -0.637 1.00 1.00 O ATOM 5 CB LYS A 1 -10.121 -1.261 1.727 1.00 1.00 C ATOM 6 CG LYS A 1 -11.320 -1.597 0.837 1.00 1.00 C ATOM 7 CD LYS A 1 -11.528 -3.110 0.746 1.00 1.00 C ATOM 8 CE LYS A 1 -12.643 -3.452 -0.244 1.00 1.00 C ATOM 9 NZ LYS A 1 -12.742 -4.916 -0.428 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.447 0.683 2.188 1.00 1.00 H new ATOM 0 H2 LYS A 1 -10.291 1.927 2.220 1.00 1.00 H new ATOM 0 H3 LYS A 1 -11.014 1.476 0.751 1.00 1.00 H new ATOM 0 HA LYS A 1 -8.790 0.316 2.146 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.321 -1.981 1.553 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -10.406 -1.348 2.775 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -12.218 -1.126 1.237 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -11.163 -1.187 -0.161 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -10.600 -3.590 0.434 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -11.777 -3.506 1.730 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -13.593 -3.060 0.120 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -12.446 -2.972 -1.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -13.547 -5.134 -1.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -11.865 -5.272 -0.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -12.884 -5.373 0.495 1.00 1.00 H new ATOM 25 N GLU A 2 -8.925 1.592 -0.362 1.00 1.00 N ATOM 26 CA GLU A 2 -8.412 1.912 -1.684 1.00 1.00 C ATOM 27 C GLU A 2 -7.156 2.779 -1.569 1.00 1.00 C ATOM 28 O GLU A 2 -6.969 3.478 -0.576 1.00 1.00 O ATOM 29 CB GLU A 2 -9.481 2.604 -2.533 1.00 1.00 C ATOM 30 CG GLU A 2 -10.833 1.903 -2.390 1.00 1.00 C ATOM 31 CD GLU A 2 -11.738 2.652 -1.408 1.00 1.00 C ATOM 32 OE1 GLU A 2 -11.342 2.738 -0.226 1.00 1.00 O ATOM 33 OE2 GLU A 2 -12.804 3.121 -1.862 1.00 1.00 O ATOM 0 H GLU A 2 -9.178 2.401 0.205 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.143 0.982 -2.185 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -9.574 3.646 -2.228 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.176 2.604 -3.579 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.319 1.841 -3.364 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -10.682 0.881 -2.044 1.00 1.00 H new ATOM 40 N GLY A 3 -6.329 2.702 -2.601 1.00 1.00 N ATOM 41 CA GLY A 3 -5.325 3.727 -2.833 1.00 1.00 C ATOM 42 C GLY A 3 -4.268 3.244 -3.828 1.00 1.00 C ATOM 43 O GLY A 3 -4.453 2.225 -4.491 1.00 1.00 O ATOM 0 H GLY A 3 -6.333 1.946 -3.286 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.803 4.629 -3.214 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.847 3.993 -1.890 1.00 1.00 H new ATOM 47 N TYR A 4 -3.181 4.000 -3.902 1.00 1.00 N ATOM 48 CA TYR A 4 -2.098 3.665 -4.809 1.00 1.00 C ATOM 49 C TYR A 4 -1.421 2.357 -4.397 1.00 1.00 C ATOM 50 O TYR A 4 -0.843 2.267 -3.314 1.00 1.00 O ATOM 51 CB TYR A 4 -1.086 4.808 -4.696 1.00 1.00 C ATOM 52 CG TYR A 4 -1.622 6.163 -5.162 1.00 1.00 C ATOM 53 CD1 TYR A 4 -1.987 6.344 -6.481 1.00 1.00 C ATOM 54 CD2 TYR A 4 -1.741 7.203 -4.264 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.493 7.619 -6.918 1.00 1.00 C ATOM 56 CE2 TYR A 4 -2.246 8.479 -4.702 1.00 1.00 C ATOM 57 CZ TYR A 4 -2.596 8.624 -6.008 1.00 1.00 C ATOM 58 OH TYR A 4 -3.074 9.828 -6.422 1.00 1.00 O ATOM 0 H TYR A 4 -3.028 4.843 -3.348 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.473 3.537 -5.824 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -0.765 4.894 -3.658 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.203 4.557 -5.283 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.893 5.530 -7.184 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -1.456 7.061 -3.232 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -2.784 7.774 -7.946 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -2.344 9.302 -4.009 1.00 1.00 H new ATOM 0 HH TYR A 4 -3.093 10.450 -5.665 1.00 1.00 H new ATOM 68 N LEU A 5 -1.514 1.375 -5.281 1.00 1.00 N ATOM 69 CA LEU A 5 -0.721 0.165 -5.142 1.00 1.00 C ATOM 70 C LEU A 5 0.748 0.543 -4.942 1.00 1.00 C ATOM 71 O LEU A 5 1.269 1.412 -5.640 1.00 1.00 O ATOM 72 CB LEU A 5 -0.960 -0.770 -6.330 1.00 1.00 C ATOM 73 CG LEU A 5 0.239 -1.612 -6.771 1.00 1.00 C ATOM 74 CD1 LEU A 5 0.396 -2.851 -5.886 1.00 1.00 C ATOM 75 CD2 LEU A 5 0.137 -1.976 -8.254 1.00 1.00 C ATOM 0 H LEU A 5 -2.126 1.392 -6.097 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.029 -0.394 -4.258 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.779 -1.444 -6.078 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -1.290 -0.170 -7.178 1.00 1.00 H new ATOM 0 HG LEU A 5 1.141 -1.013 -6.647 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.255 -3.431 -6.222 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.548 -2.542 -4.852 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.504 -3.463 -5.954 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.001 -2.574 -8.542 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -0.774 -2.549 -8.426 1.00 1.00 H new ATOM 0 HD23 LEU A 5 0.111 -1.065 -8.851 1.00 1.00 H new ATOM 87 N VAL A 6 1.374 -0.129 -3.987 1.00 1.00 N ATOM 88 CA VAL A 6 2.712 0.245 -3.565 1.00 1.00 C ATOM 89 C VAL A 6 3.693 -0.865 -3.952 1.00 1.00 C ATOM 90 O VAL A 6 3.326 -2.039 -3.986 1.00 1.00 O ATOM 91 CB VAL A 6 2.722 0.554 -2.065 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.230 -0.648 -1.256 1.00 1.00 C ATOM 93 CG2 VAL A 6 4.112 0.994 -1.605 1.00 1.00 C ATOM 0 H VAL A 6 0.979 -0.930 -3.494 1.00 1.00 H new ATOM 0 HA VAL A 6 3.032 1.155 -4.073 1.00 1.00 H new ATOM 0 HB VAL A 6 2.035 1.381 -1.888 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.247 -0.403 -0.194 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.212 -0.896 -1.555 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.881 -1.502 -1.442 1.00 1.00 H new ATOM 0 HG21 VAL A 6 4.091 1.207 -0.536 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.830 0.198 -1.802 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.408 1.891 -2.148 1.00 1.00 H new ATOM 103 N ASP A 7 4.921 -0.454 -4.233 1.00 1.00 N ATOM 104 CA ASP A 7 6.007 -1.404 -4.407 1.00 1.00 C ATOM 105 C ASP A 7 6.488 -1.878 -3.034 1.00 1.00 C ATOM 106 O ASP A 7 6.703 -1.067 -2.134 1.00 1.00 O ATOM 107 CB ASP A 7 7.192 -0.760 -5.128 1.00 1.00 C ATOM 108 CG ASP A 7 8.568 -1.148 -4.584 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.879 -2.357 -4.637 1.00 1.00 O ATOM 110 OD2 ASP A 7 9.279 -0.225 -4.127 1.00 1.00 O ATOM 0 H ASP A 7 5.188 0.524 -4.345 1.00 1.00 H new ATOM 0 HA ASP A 7 5.634 -2.238 -5.002 1.00 1.00 H new ATOM 0 HB2 ASP A 7 7.146 -1.029 -6.183 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.088 0.323 -5.071 1.00 1.00 H new ATOM 115 N LYS A 8 6.646 -3.189 -2.918 1.00 1.00 N ATOM 116 CA LYS A 8 6.655 -3.827 -1.612 1.00 1.00 C ATOM 117 C LYS A 8 8.100 -3.960 -1.125 1.00 1.00 C ATOM 118 O LYS A 8 8.351 -4.524 -0.061 1.00 1.00 O ATOM 119 CB LYS A 8 5.898 -5.155 -1.660 1.00 1.00 C ATOM 120 CG LYS A 8 4.718 -5.149 -0.687 1.00 1.00 C ATOM 121 CD LYS A 8 3.938 -6.463 -0.761 1.00 1.00 C ATOM 122 CE LYS A 8 4.670 -7.578 -0.012 1.00 1.00 C ATOM 123 NZ LYS A 8 3.849 -8.810 0.016 1.00 1.00 N ATOM 0 H LYS A 8 6.769 -3.826 -3.705 1.00 1.00 H new ATOM 0 HA LYS A 8 6.127 -3.212 -0.883 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.538 -5.336 -2.673 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.575 -5.973 -1.411 1.00 1.00 H new ATOM 0 HG2 LYS A 8 5.081 -4.994 0.329 1.00 1.00 H new ATOM 0 HG3 LYS A 8 4.055 -4.315 -0.919 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.945 -6.325 -0.334 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.800 -6.750 -1.803 1.00 1.00 H new ATOM 0 HE2 LYS A 8 5.626 -7.782 -0.495 1.00 1.00 H new ATOM 0 HE3 LYS A 8 4.889 -7.257 1.006 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.361 -9.557 0.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.948 -8.616 0.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.661 -9.124 -0.957 1.00 1.00 H new ATOM 137 N ASN A 9 9.013 -3.432 -1.928 1.00 1.00 N ATOM 138 CA ASN A 9 10.420 -3.443 -1.570 1.00 1.00 C ATOM 139 C ASN A 9 10.809 -2.075 -1.003 1.00 1.00 C ATOM 140 O ASN A 9 11.023 -1.937 0.200 1.00 1.00 O ATOM 141 CB ASN A 9 11.298 -3.714 -2.793 1.00 1.00 C ATOM 142 CG ASN A 9 11.841 -5.144 -2.773 1.00 1.00 C ATOM 143 OD1 ASN A 9 11.163 -6.088 -2.404 1.00 1.00 O ATOM 144 ND2 ASN A 9 13.100 -5.249 -3.188 1.00 1.00 N ATOM 0 H ASN A 9 8.805 -2.994 -2.825 1.00 1.00 H new ATOM 0 HA ASN A 9 10.574 -4.232 -0.834 1.00 1.00 H new ATOM 0 HB2 ASN A 9 10.720 -3.554 -3.703 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.127 -3.007 -2.814 1.00 1.00 H new ATOM 0 HD21 ASN A 9 13.555 -6.162 -3.211 1.00 1.00 H new ATOM 0 HD22 ASN A 9 13.611 -4.417 -3.484 1.00 1.00 H new ATOM 151 N THR A 10 10.887 -1.100 -1.897 1.00 1.00 N ATOM 152 CA THR A 10 11.419 0.203 -1.537 1.00 1.00 C ATOM 153 C THR A 10 10.282 1.163 -1.182 1.00 1.00 C ATOM 154 O THR A 10 10.504 2.172 -0.512 1.00 1.00 O ATOM 155 CB THR A 10 12.290 0.693 -2.695 1.00 1.00 C ATOM 156 OG1 THR A 10 11.751 0.035 -3.838 1.00 1.00 O ATOM 157 CG2 THR A 10 13.726 0.175 -2.609 1.00 1.00 C ATOM 0 H THR A 10 10.591 -1.186 -2.869 1.00 1.00 H new ATOM 0 HA THR A 10 12.042 0.144 -0.645 1.00 1.00 H new ATOM 0 HB THR A 10 12.298 1.783 -2.706 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.822 0.318 -3.971 1.00 1.00 H new ATOM 0 HG21 THR A 10 14.300 0.553 -3.455 1.00 1.00 H new ATOM 0 HG22 THR A 10 14.181 0.517 -1.680 1.00 1.00 H new ATOM 0 HG23 THR A 10 13.722 -0.915 -2.631 1.00 1.00 H new ATOM 165 N GLY A 11 9.091 0.816 -1.646 1.00 1.00 N ATOM 166 CA GLY A 11 7.962 1.729 -1.565 1.00 1.00 C ATOM 167 C GLY A 11 8.136 2.904 -2.529 1.00 1.00 C ATOM 168 O GLY A 11 7.806 4.040 -2.193 1.00 1.00 O ATOM 0 H GLY A 11 8.882 -0.084 -2.079 1.00 1.00 H new ATOM 0 HA2 GLY A 11 7.041 1.195 -1.799 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.864 2.102 -0.546 1.00 1.00 H new ATOM 172 N CYS A 12 8.653 2.589 -3.707 1.00 1.00 N ATOM 173 CA CYS A 12 8.791 3.587 -4.755 1.00 1.00 C ATOM 174 C CYS A 12 7.444 3.727 -5.467 1.00 1.00 C ATOM 175 O CYS A 12 6.643 4.595 -5.123 1.00 1.00 O ATOM 176 CB CYS A 12 9.918 3.235 -5.727 1.00 1.00 C ATOM 177 SG CYS A 12 11.599 3.655 -5.140 1.00 1.00 S ATOM 0 H CYS A 12 8.982 1.657 -3.960 1.00 1.00 H new ATOM 0 HA CYS A 12 9.068 4.545 -4.314 1.00 1.00 H new ATOM 0 HB2 CYS A 12 9.878 2.166 -5.935 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.739 3.750 -6.671 1.00 1.00 H new ATOM 182 N LYS A 13 7.237 2.859 -6.446 1.00 1.00 N ATOM 183 CA LYS A 13 6.035 2.923 -7.261 1.00 1.00 C ATOM 184 C LYS A 13 6.035 1.759 -8.253 1.00 1.00 C ATOM 185 O LYS A 13 6.970 0.962 -8.281 1.00 1.00 O ATOM 186 CB LYS A 13 5.911 4.296 -7.924 1.00 1.00 C ATOM 187 CG LYS A 13 4.629 5.005 -7.482 1.00 1.00 C ATOM 188 CD LYS A 13 4.146 5.984 -8.554 1.00 1.00 C ATOM 189 CE LYS A 13 5.219 7.028 -8.868 1.00 1.00 C ATOM 190 NZ LYS A 13 4.716 8.007 -9.858 1.00 1.00 N ATOM 0 H LYS A 13 7.881 2.108 -6.694 1.00 1.00 H new ATOM 0 HA LYS A 13 5.146 2.813 -6.640 1.00 1.00 H new ATOM 0 HB2 LYS A 13 6.776 4.907 -7.667 1.00 1.00 H new ATOM 0 HB3 LYS A 13 5.912 4.182 -9.008 1.00 1.00 H new ATOM 0 HG2 LYS A 13 3.852 4.267 -7.282 1.00 1.00 H new ATOM 0 HG3 LYS A 13 4.808 5.541 -6.550 1.00 1.00 H new ATOM 0 HD2 LYS A 13 3.889 5.437 -9.461 1.00 1.00 H new ATOM 0 HD3 LYS A 13 3.238 6.482 -8.214 1.00 1.00 H new ATOM 0 HE2 LYS A 13 5.511 7.544 -7.953 1.00 1.00 H new ATOM 0 HE3 LYS A 13 6.111 6.536 -9.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 5.481 8.261 -10.515 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 3.927 7.588 -10.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 4.385 8.861 -9.365 1.00 1.00 H new ATOM 204 N TYR A 14 4.972 1.697 -9.043 1.00 1.00 N ATOM 205 CA TYR A 14 5.037 1.031 -10.333 1.00 1.00 C ATOM 206 C TYR A 14 5.035 2.048 -11.476 1.00 1.00 C ATOM 207 O TYR A 14 5.729 1.865 -12.476 1.00 1.00 O ATOM 208 CB TYR A 14 3.774 0.173 -10.427 1.00 1.00 C ATOM 209 CG TYR A 14 3.846 -1.131 -9.630 1.00 1.00 C ATOM 210 CD1 TYR A 14 3.636 -1.118 -8.266 1.00 1.00 C ATOM 211 CD2 TYR A 14 4.119 -2.320 -10.276 1.00 1.00 C ATOM 212 CE1 TYR A 14 3.704 -2.346 -7.516 1.00 1.00 C ATOM 213 CE2 TYR A 14 4.187 -3.547 -9.526 1.00 1.00 C ATOM 214 CZ TYR A 14 3.976 -3.499 -8.182 1.00 1.00 C ATOM 215 OH TYR A 14 4.040 -4.658 -7.475 1.00 1.00 O ATOM 0 H TYR A 14 4.062 2.097 -8.814 1.00 1.00 H new ATOM 0 HA TYR A 14 5.950 0.442 -10.416 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.924 0.756 -10.073 1.00 1.00 H new ATOM 0 HB3 TYR A 14 3.585 -0.063 -11.474 1.00 1.00 H new ATOM 0 HD1 TYR A 14 3.421 -0.188 -7.761 1.00 1.00 H new ATOM 0 HD2 TYR A 14 4.282 -2.330 -11.344 1.00 1.00 H new ATOM 0 HE1 TYR A 14 3.542 -2.350 -6.448 1.00 1.00 H new ATOM 0 HE2 TYR A 14 4.401 -4.484 -10.018 1.00 1.00 H new ATOM 0 HH TYR A 14 4.241 -5.401 -8.082 1.00 1.00 H new ATOM 225 N GLU A 15 4.248 3.097 -11.291 1.00 1.00 N ATOM 226 CA GLU A 15 4.308 4.244 -12.181 1.00 1.00 C ATOM 227 C GLU A 15 3.836 3.853 -13.584 1.00 1.00 C ATOM 228 O GLU A 15 4.611 3.324 -14.378 1.00 1.00 O ATOM 229 CB GLU A 15 5.719 4.833 -12.222 1.00 1.00 C ATOM 230 CG GLU A 15 5.720 6.209 -12.889 1.00 1.00 C ATOM 231 CD GLU A 15 6.905 7.051 -12.411 1.00 1.00 C ATOM 232 OE1 GLU A 15 8.019 6.806 -12.923 1.00 1.00 O ATOM 233 OE2 GLU A 15 6.671 7.920 -11.543 1.00 1.00 O ATOM 0 H GLU A 15 3.565 3.177 -10.538 1.00 1.00 H new ATOM 0 HA GLU A 15 3.640 5.014 -11.795 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.112 4.916 -11.209 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.382 4.161 -12.767 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.766 6.092 -13.972 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.788 6.727 -12.664 1.00 1.00 H new ATOM 240 N CYS A 16 2.567 4.129 -13.844 1.00 1.00 N ATOM 241 CA CYS A 16 1.953 3.715 -15.095 1.00 1.00 C ATOM 242 C CYS A 16 2.519 4.586 -16.219 1.00 1.00 C ATOM 243 O CYS A 16 2.581 5.808 -16.090 1.00 1.00 O ATOM 244 CB CYS A 16 0.427 3.791 -15.027 1.00 1.00 C ATOM 245 SG CYS A 16 -0.441 3.089 -16.478 1.00 1.00 S ATOM 0 H CYS A 16 1.947 4.634 -13.211 1.00 1.00 H new ATOM 0 HA CYS A 16 2.191 2.670 -15.292 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.091 3.268 -14.132 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.134 4.835 -14.916 1.00 1.00 H new ATOM 250 N LEU A 17 2.916 3.923 -17.295 1.00 1.00 N ATOM 251 CA LEU A 17 3.214 4.619 -18.535 1.00 1.00 C ATOM 252 C LEU A 17 1.944 5.297 -19.052 1.00 1.00 C ATOM 253 O LEU A 17 1.082 4.643 -19.636 1.00 1.00 O ATOM 254 CB LEU A 17 3.857 3.665 -19.543 1.00 1.00 C ATOM 255 CG LEU A 17 3.020 2.449 -19.943 1.00 1.00 C ATOM 256 CD1 LEU A 17 2.630 2.514 -21.421 1.00 1.00 C ATOM 257 CD2 LEU A 17 3.746 1.146 -19.598 1.00 1.00 C ATOM 0 H LEU A 17 3.038 2.911 -17.334 1.00 1.00 H new ATOM 0 HA LEU A 17 3.948 5.406 -18.364 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.097 4.229 -20.445 1.00 1.00 H new ATOM 0 HB3 LEU A 17 4.801 3.311 -19.128 1.00 1.00 H new ATOM 0 HG LEU A 17 2.096 2.465 -19.365 1.00 1.00 H new ATOM 0 HD11 LEU A 17 2.036 1.638 -21.679 1.00 1.00 H new ATOM 0 HD12 LEU A 17 2.046 3.416 -21.604 1.00 1.00 H new ATOM 0 HD13 LEU A 17 3.531 2.535 -22.034 1.00 1.00 H new ATOM 0 HD21 LEU A 17 3.129 0.297 -19.893 1.00 1.00 H new ATOM 0 HD22 LEU A 17 4.696 1.107 -20.131 1.00 1.00 H new ATOM 0 HD23 LEU A 17 3.930 1.105 -18.524 1.00 1.00 H new ATOM 269 N LYS A 18 1.869 6.599 -18.820 1.00 1.00 N ATOM 270 CA LYS A 18 0.754 7.386 -19.317 1.00 1.00 C ATOM 271 C LYS A 18 -0.516 7.002 -18.554 1.00 1.00 C ATOM 272 O LYS A 18 -0.935 5.846 -18.580 1.00 1.00 O ATOM 273 CB LYS A 18 0.627 7.236 -20.835 1.00 1.00 C ATOM 274 CG LYS A 18 -0.442 8.178 -21.391 1.00 1.00 C ATOM 275 CD LYS A 18 -1.586 7.390 -22.034 1.00 1.00 C ATOM 276 CE LYS A 18 -1.215 6.944 -23.450 1.00 1.00 C ATOM 277 NZ LYS A 18 -2.040 5.786 -23.862 1.00 1.00 N ATOM 0 H LYS A 18 2.563 7.129 -18.294 1.00 1.00 H new ATOM 0 HA LYS A 18 0.927 8.447 -19.137 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.586 7.450 -21.307 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.373 6.205 -21.082 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -0.833 8.804 -20.589 1.00 1.00 H new ATOM 0 HG3 LYS A 18 0.004 8.846 -22.128 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -1.820 6.518 -21.424 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -2.484 8.007 -22.066 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.361 7.769 -24.147 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.159 6.678 -23.489 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.201 5.823 -24.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.545 4.904 -23.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -2.954 5.817 -23.367 1.00 1.00 H new ATOM 291 N LEU A 19 -1.091 7.995 -17.890 1.00 1.00 N ATOM 292 CA LEU A 19 -2.360 7.803 -17.209 1.00 1.00 C ATOM 293 C LEU A 19 -3.434 7.437 -18.236 1.00 1.00 C ATOM 294 O LEU A 19 -3.281 7.713 -19.425 1.00 1.00 O ATOM 295 CB LEU A 19 -2.708 9.032 -16.368 1.00 1.00 C ATOM 296 CG LEU A 19 -3.039 10.307 -17.146 1.00 1.00 C ATOM 297 CD1 LEU A 19 -4.504 10.702 -16.953 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.084 11.442 -16.771 1.00 1.00 C ATOM 0 H LEU A 19 -0.701 8.934 -17.809 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.293 6.973 -16.506 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -3.561 8.785 -15.735 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -1.869 9.243 -15.705 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.897 10.106 -18.208 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -4.713 11.611 -17.516 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.148 9.898 -17.310 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -4.697 10.879 -15.895 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -2.341 12.336 -17.338 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -2.169 11.652 -15.705 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -1.060 11.148 -17.002 1.00 1.00 H new ATOM 310 N GLY A 20 -4.497 6.820 -17.740 1.00 1.00 N ATOM 311 CA GLY A 20 -5.659 6.549 -18.568 1.00 1.00 C ATOM 312 C GLY A 20 -5.706 5.076 -18.982 1.00 1.00 C ATOM 313 O GLY A 20 -6.767 4.456 -18.964 1.00 1.00 O ATOM 0 H GLY A 20 -4.577 6.500 -16.775 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.567 6.806 -18.022 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -5.632 7.180 -19.457 1.00 1.00 H new ATOM 317 N ASP A 21 -4.541 4.560 -19.346 1.00 1.00 N ATOM 318 CA ASP A 21 -4.456 3.219 -19.898 1.00 1.00 C ATOM 319 C ASP A 21 -4.632 2.198 -18.771 1.00 1.00 C ATOM 320 O ASP A 21 -3.654 1.636 -18.281 1.00 1.00 O ATOM 321 CB ASP A 21 -3.093 2.975 -20.548 1.00 1.00 C ATOM 322 CG ASP A 21 -2.795 3.847 -21.770 1.00 1.00 C ATOM 323 OD1 ASP A 21 -3.644 4.716 -22.069 1.00 1.00 O ATOM 324 OD2 ASP A 21 -1.727 3.625 -22.379 1.00 1.00 O ATOM 0 H ASP A 21 -3.648 5.047 -19.269 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.237 3.114 -20.651 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.316 3.143 -19.802 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -3.030 1.928 -20.843 1.00 1.00 H new ATOM 329 N ASN A 22 -5.885 1.990 -18.394 1.00 1.00 N ATOM 330 CA ASN A 22 -6.188 1.251 -17.181 1.00 1.00 C ATOM 331 C ASN A 22 -6.271 -0.242 -17.504 1.00 1.00 C ATOM 332 O ASN A 22 -7.229 -0.912 -17.121 1.00 1.00 O ATOM 333 CB ASN A 22 -7.534 1.683 -16.595 1.00 1.00 C ATOM 334 CG ASN A 22 -8.663 1.479 -17.607 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.562 1.834 -18.769 1.00 1.00 O ATOM 336 ND2 ASN A 22 -9.743 0.890 -17.101 1.00 1.00 N ATOM 0 H ASN A 22 -6.702 2.321 -18.908 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.398 1.452 -16.458 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.742 1.110 -15.692 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.488 2.732 -16.303 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -10.552 0.711 -17.696 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.762 0.618 -16.118 1.00 1.00 H new ATOM 343 N ASP A 23 -5.255 -0.721 -18.207 1.00 1.00 N ATOM 344 CA ASP A 23 -5.105 -2.148 -18.431 1.00 1.00 C ATOM 345 C ASP A 23 -3.958 -2.677 -17.567 1.00 1.00 C ATOM 346 O ASP A 23 -4.115 -3.674 -16.863 1.00 1.00 O ATOM 347 CB ASP A 23 -4.772 -2.445 -19.894 1.00 1.00 C ATOM 348 CG ASP A 23 -4.971 -3.901 -20.320 1.00 1.00 C ATOM 349 OD1 ASP A 23 -5.187 -4.733 -19.413 1.00 1.00 O ATOM 350 OD2 ASP A 23 -4.902 -4.149 -21.543 1.00 1.00 O ATOM 0 H ASP A 23 -4.527 -0.145 -18.629 1.00 1.00 H new ATOM 0 HA ASP A 23 -6.047 -2.631 -18.172 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -5.390 -1.809 -20.528 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.734 -2.167 -20.078 1.00 1.00 H new ATOM 355 N TYR A 24 -2.831 -1.987 -17.649 1.00 1.00 N ATOM 356 CA TYR A 24 -1.617 -2.453 -17.000 1.00 1.00 C ATOM 357 C TYR A 24 -1.781 -2.469 -15.480 1.00 1.00 C ATOM 358 O TYR A 24 -1.355 -3.414 -14.816 1.00 1.00 O ATOM 359 CB TYR A 24 -0.526 -1.448 -17.374 1.00 1.00 C ATOM 360 CG TYR A 24 -0.347 -1.255 -18.880 1.00 1.00 C ATOM 361 CD1 TYR A 24 0.051 -2.315 -19.669 1.00 1.00 C ATOM 362 CD2 TYR A 24 -0.581 -0.020 -19.450 1.00 1.00 C ATOM 363 CE1 TYR A 24 0.220 -2.132 -21.088 1.00 1.00 C ATOM 364 CE2 TYR A 24 -0.412 0.162 -20.868 1.00 1.00 C ATOM 365 CZ TYR A 24 -0.020 -0.903 -21.617 1.00 1.00 C ATOM 366 OH TYR A 24 0.140 -0.731 -22.957 1.00 1.00 O ATOM 0 H TYR A 24 -2.732 -1.107 -18.156 1.00 1.00 H new ATOM 0 HA TYR A 24 -1.376 -3.467 -17.318 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.762 -0.485 -16.920 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.420 -1.778 -16.946 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.236 -3.281 -19.223 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.891 0.810 -18.832 1.00 1.00 H new ATOM 0 HE1 TYR A 24 0.530 -2.953 -21.717 1.00 1.00 H new ATOM 0 HE2 TYR A 24 -0.593 1.123 -21.327 1.00 1.00 H new ATOM 0 HH TYR A 24 -0.067 0.197 -23.195 1.00 1.00 H new ATOM 376 N CYS A 25 -2.399 -1.414 -14.971 1.00 1.00 N ATOM 377 CA CYS A 25 -2.614 -1.289 -13.539 1.00 1.00 C ATOM 378 C CYS A 25 -3.598 -2.377 -13.104 1.00 1.00 C ATOM 379 O CYS A 25 -3.399 -3.023 -12.077 1.00 1.00 O ATOM 380 CB CYS A 25 -3.105 0.109 -13.161 1.00 1.00 C ATOM 381 SG CYS A 25 -1.859 1.436 -13.344 1.00 1.00 S ATOM 0 H CYS A 25 -2.758 -0.637 -15.525 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.669 -1.425 -13.014 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.969 0.354 -13.778 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.447 0.091 -12.126 1.00 1.00 H new ATOM 386 N LEU A 26 -4.637 -2.547 -13.908 1.00 1.00 N ATOM 387 CA LEU A 26 -5.611 -3.596 -13.663 1.00 1.00 C ATOM 388 C LEU A 26 -4.904 -4.953 -13.670 1.00 1.00 C ATOM 389 O LEU A 26 -5.186 -5.809 -12.833 1.00 1.00 O ATOM 390 CB LEU A 26 -6.767 -3.499 -14.659 1.00 1.00 C ATOM 391 CG LEU A 26 -8.174 -3.535 -14.059 1.00 1.00 C ATOM 392 CD1 LEU A 26 -9.153 -2.719 -14.908 1.00 1.00 C ATOM 393 CD2 LEU A 26 -8.650 -4.976 -13.862 1.00 1.00 C ATOM 0 H LEU A 26 -4.825 -1.975 -14.731 1.00 1.00 H new ATOM 0 HA LEU A 26 -6.061 -3.475 -12.678 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.658 -2.573 -15.223 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -6.676 -4.319 -15.372 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.137 -3.071 -13.073 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -10.146 -2.761 -14.460 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.819 -1.682 -14.953 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -9.192 -3.132 -15.916 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -9.653 -4.973 -13.434 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -8.668 -5.488 -14.824 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.969 -5.495 -13.187 1.00 1.00 H new ATOM 405 N ARG A 27 -4.001 -5.108 -14.627 1.00 1.00 N ATOM 406 CA ARG A 27 -3.324 -6.380 -14.818 1.00 1.00 C ATOM 407 C ARG A 27 -2.418 -6.683 -13.623 1.00 1.00 C ATOM 408 O ARG A 27 -2.340 -7.825 -13.172 1.00 1.00 O ATOM 409 CB ARG A 27 -2.484 -6.370 -16.097 1.00 1.00 C ATOM 410 CG ARG A 27 -3.327 -6.767 -17.309 1.00 1.00 C ATOM 411 CD ARG A 27 -2.457 -6.901 -18.562 1.00 1.00 C ATOM 412 NE ARG A 27 -3.258 -6.597 -19.769 1.00 1.00 N ATOM 413 CZ ARG A 27 -2.810 -6.742 -21.023 1.00 1.00 C ATOM 414 NH1 ARG A 27 -1.593 -7.258 -21.246 1.00 1.00 N ATOM 415 NH2 ARG A 27 -3.579 -6.371 -22.056 1.00 1.00 N ATOM 0 H ARG A 27 -3.722 -4.374 -15.278 1.00 1.00 H new ATOM 0 HA ARG A 27 -4.088 -7.153 -14.905 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -2.063 -5.377 -16.252 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -1.646 -7.059 -15.991 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -3.833 -7.712 -17.111 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -4.102 -6.019 -17.478 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -1.607 -6.222 -18.499 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -2.053 -7.911 -18.628 1.00 1.00 H new ATOM 0 HE ARG A 27 -4.210 -6.256 -19.638 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -1.007 -7.541 -20.460 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -1.253 -7.368 -22.201 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -4.505 -5.978 -21.887 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -3.238 -6.481 -23.011 1.00 1.00 H new ATOM 429 N GLU A 28 -1.756 -5.640 -13.144 1.00 1.00 N ATOM 430 CA GLU A 28 -0.759 -5.802 -12.098 1.00 1.00 C ATOM 431 C GLU A 28 -1.434 -6.178 -10.777 1.00 1.00 C ATOM 432 O GLU A 28 -1.038 -7.145 -10.128 1.00 1.00 O ATOM 433 CB GLU A 28 0.083 -4.535 -11.942 1.00 1.00 C ATOM 434 CG GLU A 28 1.485 -4.869 -11.425 1.00 1.00 C ATOM 435 CD GLU A 28 2.396 -5.325 -12.567 1.00 1.00 C ATOM 436 OE1 GLU A 28 2.402 -6.546 -12.836 1.00 1.00 O ATOM 437 OE2 GLU A 28 3.065 -4.442 -13.146 1.00 1.00 O ATOM 0 H GLU A 28 -1.890 -4.680 -13.460 1.00 1.00 H new ATOM 0 HA GLU A 28 -0.087 -6.611 -12.385 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.158 -4.023 -12.901 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -0.409 -3.849 -11.252 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.915 -3.993 -10.939 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.421 -5.653 -10.671 1.00 1.00 H new ATOM 444 N CYS A 29 -2.439 -5.395 -10.418 1.00 1.00 N ATOM 445 CA CYS A 29 -3.143 -5.604 -9.164 1.00 1.00 C ATOM 446 C CYS A 29 -3.877 -6.945 -9.244 1.00 1.00 C ATOM 447 O CYS A 29 -4.214 -7.534 -8.218 1.00 1.00 O ATOM 448 CB CYS A 29 -4.095 -4.449 -8.849 1.00 1.00 C ATOM 449 SG CYS A 29 -3.505 -3.299 -7.555 1.00 1.00 S ATOM 0 H CYS A 29 -2.784 -4.613 -10.974 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.428 -5.631 -8.342 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.273 -3.884 -9.764 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.054 -4.862 -8.538 1.00 1.00 H new ATOM 454 N LYS A 30 -4.102 -7.387 -10.472 1.00 1.00 N ATOM 455 CA LYS A 30 -4.680 -8.700 -10.700 1.00 1.00 C ATOM 456 C LYS A 30 -3.803 -9.762 -10.032 1.00 1.00 C ATOM 457 O LYS A 30 -4.284 -10.541 -9.210 1.00 1.00 O ATOM 458 CB LYS A 30 -4.900 -8.938 -12.196 1.00 1.00 C ATOM 459 CG LYS A 30 -6.260 -9.589 -12.453 1.00 1.00 C ATOM 460 CD LYS A 30 -6.579 -9.619 -13.950 1.00 1.00 C ATOM 461 CE LYS A 30 -7.207 -8.299 -14.402 1.00 1.00 C ATOM 462 NZ LYS A 30 -7.227 -8.215 -15.880 1.00 1.00 N ATOM 0 H LYS A 30 -3.894 -6.859 -11.320 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.667 -8.765 -10.242 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.839 -7.991 -12.731 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.108 -9.576 -12.587 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.262 -10.604 -12.057 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -7.037 -9.038 -11.923 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.666 -9.805 -14.517 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -7.260 -10.442 -14.164 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -8.222 -8.220 -14.013 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -6.643 -7.461 -13.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -7.656 -7.313 -16.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -6.254 -8.269 -16.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.785 -9.004 -16.265 1.00 1.00 H new ATOM 476 N GLN A 31 -2.534 -9.758 -10.409 1.00 1.00 N ATOM 477 CA GLN A 31 -1.644 -10.849 -10.051 1.00 1.00 C ATOM 478 C GLN A 31 -0.681 -10.408 -8.947 1.00 1.00 C ATOM 479 O GLN A 31 0.504 -10.737 -8.984 1.00 1.00 O ATOM 480 CB GLN A 31 -0.878 -11.356 -11.275 1.00 1.00 C ATOM 481 CG GLN A 31 -1.830 -11.628 -12.442 1.00 1.00 C ATOM 482 CD GLN A 31 -1.324 -12.787 -13.304 1.00 1.00 C ATOM 483 OE1 GLN A 31 -1.867 -13.879 -13.301 1.00 1.00 O ATOM 484 NE2 GLN A 31 -0.257 -12.488 -14.039 1.00 1.00 N ATOM 0 H GLN A 31 -2.100 -9.017 -10.959 1.00 1.00 H new ATOM 0 HA GLN A 31 -2.247 -11.674 -9.673 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -0.132 -10.619 -11.573 1.00 1.00 H new ATOM 0 HB3 GLN A 31 -0.340 -12.269 -11.020 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -2.823 -11.862 -12.059 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -1.927 -10.731 -13.053 1.00 1.00 H new ATOM 0 HE21 GLN A 31 0.148 -11.553 -13.994 1.00 1.00 H new ATOM 0 HE22 GLN A 31 0.157 -13.194 -14.648 1.00 1.00 H new ATOM 493 N GLN A 32 -1.225 -9.671 -7.990 1.00 1.00 N ATOM 494 CA GLN A 32 -0.569 -9.509 -6.705 1.00 1.00 C ATOM 495 C GLN A 32 -1.601 -9.211 -5.616 1.00 1.00 C ATOM 496 O GLN A 32 -1.528 -9.762 -4.519 1.00 1.00 O ATOM 497 CB GLN A 32 0.496 -8.411 -6.767 1.00 1.00 C ATOM 498 CG GLN A 32 -0.148 -7.031 -6.919 1.00 1.00 C ATOM 499 CD GLN A 32 0.897 -5.977 -7.287 1.00 1.00 C ATOM 500 OE1 GLN A 32 0.802 -5.296 -8.294 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.898 -5.880 -6.416 1.00 1.00 N ATOM 0 H GLN A 32 -2.114 -9.179 -8.080 1.00 1.00 H new ATOM 0 HA GLN A 32 -0.066 -10.443 -6.456 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.102 -8.436 -5.861 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.167 -8.597 -7.605 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.919 -7.068 -7.689 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.640 -6.751 -5.988 1.00 1.00 H new ATOM 0 HE21 GLN A 32 1.917 -6.481 -5.592 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.646 -5.205 -6.572 1.00 1.00 H new ATOM 510 N TYR A 33 -2.538 -8.338 -5.955 1.00 1.00 N ATOM 511 CA TYR A 33 -3.533 -7.896 -4.994 1.00 1.00 C ATOM 512 C TYR A 33 -4.890 -8.546 -5.270 1.00 1.00 C ATOM 513 O TYR A 33 -5.911 -8.108 -4.742 1.00 1.00 O ATOM 514 CB TYR A 33 -3.659 -6.383 -5.183 1.00 1.00 C ATOM 515 CG TYR A 33 -3.273 -5.567 -3.947 1.00 1.00 C ATOM 516 CD1 TYR A 33 -3.775 -5.912 -2.708 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.425 -4.486 -4.071 1.00 1.00 C ATOM 518 CE1 TYR A 33 -3.413 -5.144 -1.545 1.00 1.00 C ATOM 519 CE2 TYR A 33 -2.062 -3.718 -2.907 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.574 -4.085 -1.702 1.00 1.00 C ATOM 521 OH TYR A 33 -2.232 -3.361 -0.604 1.00 1.00 O ATOM 0 H TYR A 33 -2.629 -7.925 -6.883 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.235 -8.168 -3.981 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.029 -6.078 -6.018 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.687 -6.146 -5.456 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -4.439 -6.758 -2.611 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.033 -4.215 -5.040 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -3.799 -5.403 -0.570 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.398 -2.870 -2.990 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.108 -2.422 -0.857 1.00 1.00 H new ATOM 531 N GLY A 34 -4.857 -9.581 -6.096 1.00 1.00 N ATOM 532 CA GLY A 34 -5.981 -10.497 -6.193 1.00 1.00 C ATOM 533 C GLY A 34 -6.697 -10.348 -7.537 1.00 1.00 C ATOM 534 O GLY A 34 -6.878 -9.234 -8.027 1.00 1.00 O ATOM 0 H GLY A 34 -4.070 -9.806 -6.704 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -5.630 -11.522 -6.076 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -6.682 -10.305 -5.381 1.00 1.00 H new ATOM 538 N LYS A 35 -7.083 -11.486 -8.096 1.00 1.00 N ATOM 539 CA LYS A 35 -7.650 -11.507 -9.433 1.00 1.00 C ATOM 540 C LYS A 35 -9.124 -11.101 -9.364 1.00 1.00 C ATOM 541 O LYS A 35 -10.009 -11.921 -9.604 1.00 1.00 O ATOM 542 CB LYS A 35 -7.418 -12.870 -10.091 1.00 1.00 C ATOM 543 CG LYS A 35 -5.923 -13.146 -10.266 1.00 1.00 C ATOM 544 CD LYS A 35 -5.693 -14.382 -11.138 1.00 1.00 C ATOM 545 CE LYS A 35 -4.334 -14.313 -11.838 1.00 1.00 C ATOM 546 NZ LYS A 35 -4.051 -15.582 -12.545 1.00 1.00 N ATOM 0 H LYS A 35 -7.014 -12.399 -7.647 1.00 1.00 H new ATOM 0 HA LYS A 35 -7.148 -10.780 -10.071 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.867 -13.654 -9.481 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -7.913 -12.898 -11.062 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -5.440 -12.281 -10.721 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -5.460 -13.293 -9.290 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -5.744 -15.280 -10.523 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -6.486 -14.460 -11.882 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -4.325 -13.485 -12.547 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -3.551 -14.115 -11.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -3.166 -15.489 -13.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.955 -16.352 -11.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.832 -15.798 -13.197 1.00 1.00 H new ATOM 560 N GLY A 36 -9.341 -9.836 -9.035 1.00 1.00 N ATOM 561 CA GLY A 36 -10.663 -9.246 -9.164 1.00 1.00 C ATOM 562 C GLY A 36 -10.595 -7.722 -9.060 1.00 1.00 C ATOM 563 O GLY A 36 -11.412 -7.105 -8.377 1.00 1.00 O ATOM 0 H GLY A 36 -8.624 -9.203 -8.680 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.100 -9.530 -10.121 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.318 -9.638 -8.386 1.00 1.00 H new ATOM 567 N ALA A 37 -9.612 -7.156 -9.745 1.00 1.00 N ATOM 568 CA ALA A 37 -9.219 -5.780 -9.493 1.00 1.00 C ATOM 569 C ALA A 37 -10.012 -4.851 -10.414 1.00 1.00 C ATOM 570 O ALA A 37 -10.441 -5.258 -11.492 1.00 1.00 O ATOM 571 CB ALA A 37 -7.707 -5.638 -9.683 1.00 1.00 C ATOM 0 H ALA A 37 -9.076 -7.626 -10.475 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.446 -5.498 -8.465 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.412 -4.606 -9.494 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -7.189 -6.297 -8.986 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.442 -5.910 -10.705 1.00 1.00 H new ATOM 577 N GLY A 38 -10.182 -3.620 -9.957 1.00 1.00 N ATOM 578 CA GLY A 38 -10.757 -2.582 -10.796 1.00 1.00 C ATOM 579 C GLY A 38 -9.788 -1.408 -10.956 1.00 1.00 C ATOM 580 O GLY A 38 -10.095 -0.434 -11.642 1.00 1.00 O ATOM 0 H GLY A 38 -9.932 -3.317 -9.016 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -11.000 -2.994 -11.775 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.691 -2.230 -10.357 1.00 1.00 H new ATOM 584 N GLY A 39 -8.637 -1.539 -10.313 1.00 1.00 N ATOM 585 CA GLY A 39 -7.652 -0.471 -10.315 1.00 1.00 C ATOM 586 C GLY A 39 -7.426 0.063 -11.731 1.00 1.00 C ATOM 587 O GLY A 39 -7.731 -0.616 -12.710 1.00 1.00 O ATOM 0 H GLY A 39 -8.364 -2.369 -9.787 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -7.987 0.338 -9.666 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.711 -0.839 -9.906 1.00 1.00 H new ATOM 591 N TYR A 40 -6.892 1.274 -11.795 1.00 1.00 N ATOM 592 CA TYR A 40 -6.668 1.927 -13.073 1.00 1.00 C ATOM 593 C TYR A 40 -5.499 2.911 -12.989 1.00 1.00 C ATOM 594 O TYR A 40 -4.984 3.176 -11.904 1.00 1.00 O ATOM 595 CB TYR A 40 -7.950 2.704 -13.380 1.00 1.00 C ATOM 596 CG TYR A 40 -8.640 3.282 -12.142 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.052 4.319 -11.446 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.848 2.766 -11.721 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.699 4.863 -10.281 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.497 3.310 -10.556 1.00 1.00 C ATOM 601 CZ TYR A 40 -9.891 4.331 -9.893 1.00 1.00 C ATOM 602 OH TYR A 40 -10.502 4.845 -8.793 1.00 1.00 O ATOM 0 H TYR A 40 -6.608 1.820 -10.982 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.429 1.192 -13.842 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.714 3.518 -14.065 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.647 2.045 -13.897 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.106 4.722 -11.776 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.307 1.954 -12.265 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.250 5.674 -9.727 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.444 2.916 -10.217 1.00 1.00 H new ATOM 0 HH TYR A 40 -9.898 4.782 -8.024 1.00 1.00 H new ATOM 612 N CYS A 41 -5.114 3.423 -14.149 1.00 1.00 N ATOM 613 CA CYS A 41 -3.916 4.238 -14.244 1.00 1.00 C ATOM 614 C CYS A 41 -4.306 5.697 -13.990 1.00 1.00 C ATOM 615 O CYS A 41 -4.852 6.359 -14.871 1.00 1.00 O ATOM 616 CB CYS A 41 -3.218 4.062 -15.595 1.00 1.00 C ATOM 617 SG CYS A 41 -2.263 2.511 -15.768 1.00 1.00 S ATOM 0 H CYS A 41 -5.610 3.289 -15.030 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.195 3.919 -13.491 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -3.969 4.100 -16.384 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.546 4.906 -15.754 1.00 1.00 H new ATOM 622 N TYR A 42 -4.011 6.153 -12.782 1.00 1.00 N ATOM 623 CA TYR A 42 -4.083 7.572 -12.479 1.00 1.00 C ATOM 624 C TYR A 42 -2.804 8.291 -12.909 1.00 1.00 C ATOM 625 O TYR A 42 -1.984 7.728 -13.632 1.00 1.00 O ATOM 626 CB TYR A 42 -4.226 7.672 -10.959 1.00 1.00 C ATOM 627 CG TYR A 42 -5.478 8.421 -10.499 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.729 7.954 -10.851 1.00 1.00 C ATOM 629 CD2 TYR A 42 -5.358 9.561 -9.732 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.908 8.658 -10.418 1.00 1.00 C ATOM 631 CE2 TYR A 42 -6.537 10.265 -9.299 1.00 1.00 C ATOM 632 CZ TYR A 42 -7.754 9.779 -9.663 1.00 1.00 C ATOM 633 OH TYR A 42 -8.868 10.444 -9.254 1.00 1.00 O ATOM 0 H TYR A 42 -3.721 5.564 -12.001 1.00 1.00 H new ATOM 0 HA TYR A 42 -4.916 8.035 -13.008 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.242 6.666 -10.539 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.346 8.172 -10.554 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.823 7.061 -11.451 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -4.380 9.926 -9.456 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -8.892 8.304 -10.687 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -6.457 11.159 -8.699 1.00 1.00 H new ATOM 0 HH TYR A 42 -8.606 11.224 -8.722 1.00 1.00 H new ATOM 643 N ALA A 43 -2.673 9.526 -12.445 1.00 1.00 N ATOM 644 CA ALA A 43 -1.527 10.343 -12.807 1.00 1.00 C ATOM 645 C ALA A 43 -0.240 9.581 -12.486 1.00 1.00 C ATOM 646 O ALA A 43 0.306 9.711 -11.391 1.00 1.00 O ATOM 647 CB ALA A 43 -1.607 11.686 -12.078 1.00 1.00 C ATOM 0 H ALA A 43 -3.341 9.980 -11.822 1.00 1.00 H new ATOM 0 HA ALA A 43 -1.528 10.552 -13.877 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -0.748 12.299 -12.349 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -2.524 12.201 -12.363 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -1.606 11.516 -11.001 1.00 1.00 H new ATOM 653 N PHE A 44 0.208 8.802 -13.460 1.00 1.00 N ATOM 654 CA PHE A 44 1.453 8.068 -13.317 1.00 1.00 C ATOM 655 C PHE A 44 1.491 7.304 -11.993 1.00 1.00 C ATOM 656 O PHE A 44 2.513 7.289 -11.310 1.00 1.00 O ATOM 657 CB PHE A 44 2.584 9.097 -13.332 1.00 1.00 C ATOM 658 CG PHE A 44 2.493 10.107 -14.478 1.00 1.00 C ATOM 659 CD1 PHE A 44 2.687 9.698 -15.761 1.00 1.00 C ATOM 660 CD2 PHE A 44 2.216 11.412 -14.214 1.00 1.00 C ATOM 661 CE1 PHE A 44 2.602 10.636 -16.825 1.00 1.00 C ATOM 662 CE2 PHE A 44 2.132 12.349 -15.278 1.00 1.00 C ATOM 663 CZ PHE A 44 2.326 11.940 -16.561 1.00 1.00 C ATOM 0 H PHE A 44 -0.269 8.664 -14.351 1.00 1.00 H new ATOM 0 HA PHE A 44 1.552 7.344 -14.126 1.00 1.00 H new ATOM 0 HB2 PHE A 44 2.583 9.637 -12.385 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.537 8.573 -13.399 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.905 8.661 -15.971 1.00 1.00 H new ATOM 0 HD2 PHE A 44 2.060 11.736 -13.196 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.757 10.312 -17.844 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.914 13.386 -15.069 1.00 1.00 H new ATOM 0 HZ PHE A 44 2.261 12.652 -17.370 1.00 1.00 H new ATOM 673 N ALA A 45 0.363 6.687 -11.669 1.00 1.00 N ATOM 674 CA ALA A 45 0.278 5.858 -10.479 1.00 1.00 C ATOM 675 C ALA A 45 -0.943 4.943 -10.586 1.00 1.00 C ATOM 676 O ALA A 45 -1.965 5.329 -11.151 1.00 1.00 O ATOM 677 CB ALA A 45 0.231 6.750 -9.237 1.00 1.00 C ATOM 0 H ALA A 45 -0.499 6.745 -12.211 1.00 1.00 H new ATOM 0 HA ALA A 45 1.159 5.223 -10.391 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.167 6.128 -8.344 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.134 7.358 -9.192 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.642 7.400 -9.289 1.00 1.00 H new ATOM 683 N CYS A 46 -0.796 3.747 -10.035 1.00 1.00 N ATOM 684 CA CYS A 46 -1.842 2.743 -10.138 1.00 1.00 C ATOM 685 C CYS A 46 -2.716 2.831 -8.885 1.00 1.00 C ATOM 686 O CYS A 46 -2.342 2.326 -7.827 1.00 1.00 O ATOM 687 CB CYS A 46 -1.262 1.340 -10.332 1.00 1.00 C ATOM 688 SG CYS A 46 -0.450 1.063 -11.948 1.00 1.00 S ATOM 0 H CYS A 46 0.031 3.451 -9.516 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.452 2.938 -11.020 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.538 1.148 -9.540 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.064 0.611 -10.214 1.00 1.00 H new ATOM 693 N TRP A 47 -3.863 3.474 -9.046 1.00 1.00 N ATOM 694 CA TRP A 47 -4.847 3.528 -7.978 1.00 1.00 C ATOM 695 C TRP A 47 -5.681 2.246 -8.039 1.00 1.00 C ATOM 696 O TRP A 47 -6.427 2.032 -8.992 1.00 1.00 O ATOM 697 CB TRP A 47 -5.695 4.797 -8.078 1.00 1.00 C ATOM 698 CG TRP A 47 -6.775 4.911 -7.001 1.00 1.00 C ATOM 699 CD1 TRP A 47 -7.936 4.247 -6.924 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.746 5.770 -5.841 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.656 4.614 -5.805 1.00 1.00 N ATOM 702 CE2 TRP A 47 -7.908 5.570 -5.125 1.00 1.00 C ATOM 703 CE3 TRP A 47 -5.770 6.687 -5.412 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.204 6.249 -3.938 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.080 7.358 -4.223 1.00 1.00 C ATOM 706 CH2 TRP A 47 -7.246 7.167 -3.490 1.00 1.00 C ATOM 0 H TRP A 47 -4.133 3.962 -9.900 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.358 3.580 -7.005 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.039 5.665 -8.014 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.170 4.828 -9.059 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.267 3.516 -7.647 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.568 4.251 -5.528 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -4.854 6.860 -5.957 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.122 6.075 -3.396 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.363 8.074 -3.849 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.412 7.724 -2.580 1.00 1.00 H new ATOM 717 N CYS A 48 -5.524 1.428 -7.008 1.00 1.00 N ATOM 718 CA CYS A 48 -6.229 0.159 -6.948 1.00 1.00 C ATOM 719 C CYS A 48 -7.335 0.274 -5.897 1.00 1.00 C ATOM 720 O CYS A 48 -7.156 0.926 -4.870 1.00 1.00 O ATOM 721 CB CYS A 48 -5.279 -1.003 -6.651 1.00 1.00 C ATOM 722 SG CYS A 48 -4.174 -1.463 -8.035 1.00 1.00 S ATOM 0 H CYS A 48 -4.920 1.619 -6.209 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.672 -0.060 -7.919 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -4.667 -0.742 -5.787 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -5.870 -1.875 -6.371 1.00 1.00 H new ATOM 727 N THR A 49 -8.454 -0.373 -6.189 1.00 1.00 N ATOM 728 CA THR A 49 -9.705 -0.040 -5.527 1.00 1.00 C ATOM 729 C THR A 49 -10.611 -1.270 -5.450 1.00 1.00 C ATOM 730 O THR A 49 -11.829 -1.157 -5.576 1.00 1.00 O ATOM 731 CB THR A 49 -10.339 1.135 -6.276 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.635 1.256 -5.698 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.614 0.811 -7.746 1.00 1.00 C ATOM 0 H THR A 49 -8.521 -1.125 -6.874 1.00 1.00 H new ATOM 0 HA THR A 49 -9.536 0.267 -4.495 1.00 1.00 H new ATOM 0 HB THR A 49 -9.683 2.003 -6.212 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.179 0.481 -5.950 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.064 1.677 -8.232 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.678 0.561 -8.245 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.297 -0.036 -7.810 1.00 1.00 H new ATOM 741 N HIS A 50 -9.981 -2.417 -5.242 1.00 1.00 N ATOM 742 CA HIS A 50 -10.719 -3.638 -4.967 1.00 1.00 C ATOM 743 C HIS A 50 -9.847 -4.593 -4.151 1.00 1.00 C ATOM 744 O HIS A 50 -9.999 -5.810 -4.243 1.00 1.00 O ATOM 745 CB HIS A 50 -11.234 -4.266 -6.265 1.00 1.00 C ATOM 746 CG HIS A 50 -12.468 -5.118 -6.087 1.00 1.00 C ATOM 747 ND1 HIS A 50 -12.520 -6.189 -5.213 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.694 -5.045 -6.681 1.00 1.00 C ATOM 749 CE1 HIS A 50 -13.727 -6.729 -5.286 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.454 -6.020 -6.196 1.00 1.00 N ATOM 0 H HIS A 50 -8.967 -2.526 -5.258 1.00 1.00 H new ATOM 0 HA HIS A 50 -11.600 -3.407 -4.369 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.453 -3.472 -6.979 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -10.443 -4.877 -6.700 1.00 1.00 H new ATOM 0 HD1 HIS A 50 -11.758 -6.508 -4.614 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -13.995 -4.318 -7.420 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -14.075 -7.582 -4.723 1.00 1.00 H new ATOM 758 N LEU A 51 -8.952 -4.005 -3.371 1.00 1.00 N ATOM 759 CA LEU A 51 -8.112 -4.784 -2.477 1.00 1.00 C ATOM 760 C LEU A 51 -8.975 -5.387 -1.368 1.00 1.00 C ATOM 761 O LEU A 51 -10.201 -5.293 -1.410 1.00 1.00 O ATOM 762 CB LEU A 51 -6.949 -3.936 -1.960 1.00 1.00 C ATOM 763 CG LEU A 51 -6.110 -3.225 -3.024 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.102 -4.018 -4.334 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.587 -1.786 -3.228 1.00 1.00 C ATOM 0 H LEU A 51 -8.790 -2.998 -3.339 1.00 1.00 H new ATOM 0 HA LEU A 51 -7.655 -5.616 -3.013 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -7.348 -3.184 -1.279 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.290 -4.578 -1.375 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.080 -3.175 -2.670 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.499 -3.492 -5.074 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -5.679 -5.007 -4.158 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -7.122 -4.120 -4.704 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.974 -1.304 -3.989 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -7.628 -1.790 -3.550 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.499 -1.237 -2.290 1.00 1.00 H new ATOM 777 N TYR A 52 -8.302 -5.991 -0.400 1.00 1.00 N ATOM 778 CA TYR A 52 -8.967 -6.426 0.816 1.00 1.00 C ATOM 779 C TYR A 52 -8.600 -5.521 1.995 1.00 1.00 C ATOM 780 O TYR A 52 -7.959 -4.488 1.813 1.00 1.00 O ATOM 781 CB TYR A 52 -8.455 -7.840 1.096 1.00 1.00 C ATOM 782 CG TYR A 52 -7.196 -8.212 0.310 1.00 1.00 C ATOM 783 CD1 TYR A 52 -5.952 -7.858 0.791 1.00 1.00 C ATOM 784 CD2 TYR A 52 -7.304 -8.902 -0.881 1.00 1.00 C ATOM 785 CE1 TYR A 52 -4.767 -8.207 0.051 1.00 1.00 C ATOM 786 CE2 TYR A 52 -6.120 -9.253 -1.620 1.00 1.00 C ATOM 787 CZ TYR A 52 -4.909 -8.888 -1.119 1.00 1.00 C ATOM 788 OH TYR A 52 -3.790 -9.219 -1.818 1.00 1.00 O ATOM 0 H TYR A 52 -7.302 -6.190 -0.433 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.050 -6.391 0.694 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.247 -7.936 2.162 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.243 -8.555 0.859 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -5.867 -7.319 1.723 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -8.277 -9.178 -1.258 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -3.788 -7.935 0.416 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -6.191 -9.794 -2.552 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.044 -9.703 -2.631 1.00 1.00 H new ATOM 798 N GLU A 53 -9.024 -5.943 3.177 1.00 1.00 N ATOM 799 CA GLU A 53 -8.778 -5.167 4.380 1.00 1.00 C ATOM 800 C GLU A 53 -7.288 -4.844 4.509 1.00 1.00 C ATOM 801 O GLU A 53 -6.915 -3.856 5.140 1.00 1.00 O ATOM 802 CB GLU A 53 -9.288 -5.902 5.621 1.00 1.00 C ATOM 803 CG GLU A 53 -9.258 -4.991 6.850 1.00 1.00 C ATOM 804 CD GLU A 53 -9.965 -5.648 8.038 1.00 1.00 C ATOM 805 OE1 GLU A 53 -11.204 -5.503 8.111 1.00 1.00 O ATOM 806 OE2 GLU A 53 -9.250 -6.282 8.844 1.00 1.00 O ATOM 0 H GLU A 53 -9.536 -6.812 3.327 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.328 -4.229 4.301 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -10.306 -6.252 5.448 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.674 -6.784 5.803 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -8.225 -4.767 7.116 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -9.740 -4.042 6.615 1.00 1.00 H new ATOM 813 N GLN A 54 -6.476 -5.696 3.900 1.00 1.00 N ATOM 814 CA GLN A 54 -5.037 -5.498 3.914 1.00 1.00 C ATOM 815 C GLN A 54 -4.601 -4.680 2.698 1.00 1.00 C ATOM 816 O GLN A 54 -3.506 -4.875 2.174 1.00 1.00 O ATOM 817 CB GLN A 54 -4.300 -6.838 3.966 1.00 1.00 C ATOM 818 CG GLN A 54 -3.404 -6.923 5.203 1.00 1.00 C ATOM 819 CD GLN A 54 -2.585 -8.216 5.199 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.900 -9.182 5.874 1.00 1.00 O ATOM 821 NE2 GLN A 54 -1.520 -8.181 4.403 1.00 1.00 N ATOM 0 H GLN A 54 -6.788 -6.525 3.394 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.776 -4.941 4.814 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.022 -7.654 3.979 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.697 -6.961 3.066 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -2.734 -6.064 5.231 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -4.016 -6.879 6.104 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -1.313 -7.340 3.865 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -0.910 -8.995 4.331 1.00 1.00 H new ATOM 830 N ALA A 55 -5.481 -3.780 2.284 1.00 1.00 N ATOM 831 CA ALA A 55 -5.090 -2.711 1.380 1.00 1.00 C ATOM 832 C ALA A 55 -3.972 -1.889 2.023 1.00 1.00 C ATOM 833 O ALA A 55 -4.232 -1.036 2.871 1.00 1.00 O ATOM 834 CB ALA A 55 -6.315 -1.862 1.035 1.00 1.00 C ATOM 0 H ALA A 55 -6.463 -3.769 2.558 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.703 -3.119 0.446 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -6.023 -1.060 0.357 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -7.067 -2.487 0.554 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.729 -1.433 1.947 1.00 1.00 H new ATOM 840 N ILE A 56 -2.751 -2.174 1.596 1.00 1.00 N ATOM 841 CA ILE A 56 -1.644 -1.262 1.830 1.00 1.00 C ATOM 842 C ILE A 56 -1.478 -0.346 0.617 1.00 1.00 C ATOM 843 O ILE A 56 -1.446 -0.815 -0.520 1.00 1.00 O ATOM 844 CB ILE A 56 -0.377 -2.040 2.193 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.660 -3.068 3.291 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.759 -1.089 2.576 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.238 -2.394 4.537 1.00 1.00 C ATOM 0 H ILE A 56 -2.504 -3.024 1.089 1.00 1.00 H new ATOM 0 HA ILE A 56 -1.853 -0.621 2.686 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.051 -2.593 1.312 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.360 -3.817 2.921 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.260 -3.591 3.550 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.648 -1.667 2.829 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.982 -0.431 1.736 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.458 -0.490 3.436 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.430 -3.147 5.302 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -0.526 -1.662 4.919 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.171 -1.892 4.280 1.00 1.00 H new ATOM 859 N VAL A 57 -1.374 0.945 0.899 1.00 1.00 N ATOM 860 CA VAL A 57 -1.319 1.940 -0.158 1.00 1.00 C ATOM 861 C VAL A 57 -0.097 2.835 0.054 1.00 1.00 C ATOM 862 O VAL A 57 0.280 3.118 1.189 1.00 1.00 O ATOM 863 CB VAL A 57 -2.632 2.723 -0.208 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.410 2.575 1.102 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.380 4.197 -0.532 1.00 1.00 C ATOM 0 H VAL A 57 -1.326 1.324 1.845 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.206 1.460 -1.130 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.241 2.303 -1.009 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.339 3.142 1.039 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.637 1.523 1.273 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -2.808 2.955 1.928 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.330 4.731 -0.561 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.742 4.634 0.236 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.888 4.278 -1.502 1.00 1.00 H new ATOM 875 N TRP A 58 0.489 3.257 -1.058 1.00 1.00 N ATOM 876 CA TRP A 58 1.746 3.982 -1.013 1.00 1.00 C ATOM 877 C TRP A 58 1.548 5.218 -0.133 1.00 1.00 C ATOM 878 O TRP A 58 0.433 5.726 -0.012 1.00 1.00 O ATOM 879 CB TRP A 58 2.232 4.325 -2.423 1.00 1.00 C ATOM 880 CG TRP A 58 3.514 5.159 -2.454 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.778 4.726 -2.560 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.607 6.597 -2.373 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.675 5.775 -2.553 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.940 6.949 -2.436 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.597 7.569 -2.251 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.385 8.275 -2.384 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.059 8.889 -2.200 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.398 9.260 -2.262 1.00 1.00 C ATOM 0 H TRP A 58 0.115 3.110 -1.996 1.00 1.00 H new ATOM 0 HA TRP A 58 2.531 3.365 -0.576 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.400 3.399 -2.974 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.445 4.868 -2.945 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.059 3.686 -2.641 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.690 5.702 -2.621 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.548 7.316 -2.201 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.434 8.525 -2.435 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.324 9.675 -2.106 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.675 10.303 -2.216 1.00 1.00 H new ATOM 899 N PRO A 59 2.674 5.678 0.475 1.00 1.00 N ATOM 900 CA PRO A 59 3.857 4.843 0.588 1.00 1.00 C ATOM 901 C PRO A 59 3.671 3.773 1.666 1.00 1.00 C ATOM 902 O PRO A 59 2.587 3.638 2.231 1.00 1.00 O ATOM 903 CB PRO A 59 4.991 5.807 0.898 1.00 1.00 C ATOM 904 CG PRO A 59 4.330 7.078 1.404 1.00 1.00 C ATOM 905 CD PRO A 59 2.850 7.001 1.068 1.00 1.00 C ATOM 0 HA PRO A 59 4.066 4.283 -0.324 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.663 5.391 1.648 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.589 6.005 0.009 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.472 7.180 2.480 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.782 7.954 0.939 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.235 7.121 1.960 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.560 7.789 0.373 1.00 1.00 H new ATOM 913 N LEU A 60 4.746 3.039 1.918 1.00 1.00 N ATOM 914 CA LEU A 60 4.925 2.392 3.206 1.00 1.00 C ATOM 915 C LEU A 60 5.068 3.460 4.292 1.00 1.00 C ATOM 916 O LEU A 60 5.513 4.573 4.019 1.00 1.00 O ATOM 917 CB LEU A 60 6.094 1.407 3.154 1.00 1.00 C ATOM 918 CG LEU A 60 5.891 0.171 2.277 1.00 1.00 C ATOM 919 CD1 LEU A 60 4.403 -0.107 2.056 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.651 0.304 0.955 1.00 1.00 C ATOM 0 H LEU A 60 5.501 2.879 1.252 1.00 1.00 H new ATOM 0 HA LEU A 60 4.048 1.796 3.458 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.976 1.939 2.798 1.00 1.00 H new ATOM 0 HB3 LEU A 60 6.310 1.076 4.170 1.00 1.00 H new ATOM 0 HG LEU A 60 6.305 -0.690 2.801 1.00 1.00 H new ATOM 0 HD11 LEU A 60 4.287 -0.991 1.429 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.918 -0.278 3.017 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.942 0.749 1.564 1.00 1.00 H new ATOM 0 HD21 LEU A 60 6.489 -0.589 0.351 1.00 1.00 H new ATOM 0 HD22 LEU A 60 6.290 1.179 0.414 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.716 0.417 1.157 1.00 1.00 H new ATOM 932 N PRO A 61 4.671 3.073 5.534 1.00 1.00 N ATOM 933 CA PRO A 61 4.267 4.051 6.530 1.00 1.00 C ATOM 934 C PRO A 61 5.481 4.781 7.107 1.00 1.00 C ATOM 935 O PRO A 61 5.444 5.994 7.307 1.00 1.00 O ATOM 936 CB PRO A 61 3.500 3.255 7.574 1.00 1.00 C ATOM 937 CG PRO A 61 3.900 1.804 7.368 1.00 1.00 C ATOM 938 CD PRO A 61 4.599 1.699 6.023 1.00 1.00 C ATOM 0 HA PRO A 61 3.643 4.842 6.114 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.749 3.590 8.581 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.425 3.385 7.452 1.00 1.00 H new ATOM 0 HG2 PRO A 61 4.562 1.473 8.169 1.00 1.00 H new ATOM 0 HG3 PRO A 61 3.022 1.159 7.393 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.593 1.263 6.126 1.00 1.00 H new ATOM 0 HD3 PRO A 61 4.041 1.063 5.336 1.00 1.00 H new ATOM 946 N ASN A 62 6.530 4.011 7.359 1.00 1.00 N ATOM 947 CA ASN A 62 7.759 4.572 7.894 1.00 1.00 C ATOM 948 C ASN A 62 8.952 3.779 7.358 1.00 1.00 C ATOM 949 O ASN A 62 9.828 3.376 8.121 1.00 1.00 O ATOM 950 CB ASN A 62 7.783 4.487 9.421 1.00 1.00 C ATOM 951 CG ASN A 62 7.460 3.069 9.897 1.00 1.00 C ATOM 952 OD1 ASN A 62 7.622 2.095 9.181 1.00 1.00 O ATOM 953 ND2 ASN A 62 6.997 3.008 11.142 1.00 1.00 N ATOM 0 H ASN A 62 6.554 3.003 7.202 1.00 1.00 H new ATOM 0 HA ASN A 62 7.814 5.617 7.590 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.765 4.783 9.790 1.00 1.00 H new ATOM 0 HB3 ASN A 62 7.061 5.188 9.839 1.00 1.00 H new ATOM 0 HD21 ASN A 62 6.753 2.106 11.552 1.00 1.00 H new ATOM 0 HD22 ASN A 62 6.885 3.863 11.687 1.00 1.00 H new ATOM 960 N LYS A 63 8.949 3.578 6.048 1.00 1.00 N ATOM 961 CA LYS A 63 10.137 3.102 5.360 1.00 1.00 C ATOM 962 C LYS A 63 9.913 3.186 3.848 1.00 1.00 C ATOM 963 O LYS A 63 9.657 2.172 3.199 1.00 1.00 O ATOM 964 CB LYS A 63 10.515 1.704 5.850 1.00 1.00 C ATOM 965 CG LYS A 63 9.289 0.791 5.905 1.00 1.00 C ATOM 966 CD LYS A 63 9.613 -0.520 6.626 1.00 1.00 C ATOM 967 CE LYS A 63 9.066 -0.509 8.054 1.00 1.00 C ATOM 968 NZ LYS A 63 9.724 0.550 8.852 1.00 1.00 N ATOM 0 H LYS A 63 8.142 3.736 5.445 1.00 1.00 H new ATOM 0 HA LYS A 63 10.992 3.737 5.591 1.00 1.00 H new ATOM 0 HB2 LYS A 63 11.264 1.273 5.186 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.967 1.772 6.840 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.474 1.301 6.419 1.00 1.00 H new ATOM 0 HG3 LYS A 63 8.944 0.578 4.893 1.00 1.00 H new ATOM 0 HD2 LYS A 63 9.185 -1.358 6.075 1.00 1.00 H new ATOM 0 HD3 LYS A 63 10.692 -0.671 6.647 1.00 1.00 H new ATOM 0 HE2 LYS A 63 7.989 -0.343 8.036 1.00 1.00 H new ATOM 0 HE3 LYS A 63 9.231 -1.480 8.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 9.807 0.239 9.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 10.672 0.736 8.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 9.156 1.420 8.809 1.00 1.00 H new ATOM 982 N ARG A 64 10.017 4.401 3.332 1.00 1.00 N ATOM 983 CA ARG A 64 9.363 4.741 2.081 1.00 1.00 C ATOM 984 C ARG A 64 10.386 5.265 1.071 1.00 1.00 C ATOM 985 O ARG A 64 11.413 5.823 1.456 1.00 1.00 O ATOM 986 CB ARG A 64 8.281 5.801 2.296 1.00 1.00 C ATOM 987 CG ARG A 64 8.833 7.001 3.067 1.00 1.00 C ATOM 988 CD ARG A 64 8.485 6.904 4.554 1.00 1.00 C ATOM 989 NE ARG A 64 7.017 6.961 4.734 1.00 1.00 N ATOM 990 CZ ARG A 64 6.333 8.088 4.972 1.00 1.00 C ATOM 991 NH1 ARG A 64 6.876 9.277 4.678 1.00 1.00 N ATOM 992 NH2 ARG A 64 5.104 8.026 5.504 1.00 1.00 N ATOM 0 H ARG A 64 10.545 5.163 3.758 1.00 1.00 H new ATOM 0 HA ARG A 64 8.897 3.835 1.694 1.00 1.00 H new ATOM 0 HB2 ARG A 64 7.894 6.131 1.332 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.445 5.366 2.844 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.915 7.049 2.945 1.00 1.00 H new ATOM 0 HG3 ARG A 64 8.424 7.923 2.653 1.00 1.00 H new ATOM 0 HD2 ARG A 64 8.875 5.974 4.967 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.959 7.719 5.101 1.00 1.00 H new ATOM 0 HE ARG A 64 6.493 6.088 4.673 1.00 1.00 H new ATOM 0 HH11 ARG A 64 7.811 9.325 4.273 1.00 1.00 H new ATOM 0 HH12 ARG A 64 6.355 10.135 4.859 1.00 1.00 H new ATOM 0 HH21 ARG A 64 4.690 7.121 5.727 1.00 1.00 H new ATOM 0 HH22 ARG A 64 4.583 8.884 5.685 1.00 1.00 H new ATOM 1006 N CYS A 65 10.072 5.067 -0.200 1.00 1.00 N ATOM 1007 CA CYS A 65 10.854 5.667 -1.267 1.00 1.00 C ATOM 1008 C CYS A 65 10.042 6.813 -1.872 1.00 1.00 C ATOM 1009 O CYS A 65 8.828 6.699 -2.037 1.00 1.00 O ATOM 1010 CB CYS A 65 11.257 4.634 -2.321 1.00 1.00 C ATOM 1011 SG CYS A 65 11.557 5.320 -3.991 1.00 1.00 S ATOM 0 H CYS A 65 9.286 4.499 -0.515 1.00 1.00 H new ATOM 0 HA CYS A 65 11.787 6.059 -0.862 1.00 1.00 H new ATOM 0 HB2 CYS A 65 12.161 4.126 -1.985 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.473 3.880 -2.389 1.00 1.00 H new ATOM 1016 N SER A 66 10.744 7.891 -2.188 1.00 1.00 N ATOM 1017 CA SER A 66 10.099 9.068 -2.747 1.00 1.00 C ATOM 1018 C SER A 66 9.595 8.765 -4.160 1.00 1.00 C ATOM 1019 O SER A 66 8.394 8.812 -4.417 1.00 1.00 O ATOM 1020 CB SER A 66 11.055 10.262 -2.769 1.00 1.00 C ATOM 1021 OG SER A 66 12.172 10.036 -3.625 1.00 1.00 O ATOM 0 H SER A 66 11.753 7.975 -2.068 1.00 1.00 H new ATOM 0 HA SER A 66 9.251 9.328 -2.113 1.00 1.00 H new ATOM 0 HB2 SER A 66 10.518 11.150 -3.101 1.00 1.00 H new ATOM 0 HB3 SER A 66 11.408 10.462 -1.757 1.00 1.00 H new ATOM 0 HG SER A 66 11.858 9.708 -4.493 1.00 1.00 H new HETATM 1027 N NH2 A 67 10.539 8.462 -5.038 1.00 1.00 N TER 1030 NH2 A 67