USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0783 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 9:sc= 1.23 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0086 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.848 X(o=-0.85,f=-0.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -3.09! K(o=-3.1!,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -2.55! K(o=-2.5!,f=0.59) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.123) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= -1.91 (180deg=-2.23!) USER MOD Single : A 44 GLN : amide:sc= -2.11 K(o=-2.1,f=-5.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0294 K(o=-0.029,f=0.98) USER MOD Single : A 52 ASN : amide:sc= -0.854 K(o=-0.85,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= -0.012 (180deg=-0.634) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.582 K(o=-0.58,f=-3.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 65:sc= 0.742 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.562 0.225 -14.697 1.00 0.00 N ATOM 2 CA GLY A 1 -22.497 0.671 -15.575 1.00 0.00 C ATOM 3 C GLY A 1 -21.138 0.148 -15.151 1.00 0.00 C ATOM 4 O GLY A 1 -20.959 -0.275 -14.009 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.112 -0.521 -15.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.153 -0.150 -13.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.186 1.026 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.708 0.343 -16.593 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.475 1.761 -15.590 1.00 0.00 H new ATOM 8 N SER A 2 -20.181 0.176 -16.072 1.00 0.00 N ATOM 9 CA SER A 2 -18.833 -0.305 -15.787 1.00 0.00 C ATOM 10 C SER A 2 -17.819 0.333 -16.733 1.00 0.00 C ATOM 11 O SER A 2 -18.176 0.828 -17.802 1.00 0.00 O ATOM 12 CB SER A 2 -18.775 -1.828 -15.911 1.00 0.00 C ATOM 13 OG SER A 2 -18.922 -2.236 -17.261 1.00 0.00 O ATOM 0 H SER A 2 -20.313 0.526 -17.021 1.00 0.00 H new ATOM 0 HA SER A 2 -18.580 -0.022 -14.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.825 -2.192 -15.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.562 -2.276 -15.305 1.00 0.00 H new ATOM 0 HG SER A 2 -18.880 -3.214 -17.314 1.00 0.00 H new ATOM 19 N SER A 3 -16.552 0.317 -16.331 1.00 0.00 N ATOM 20 CA SER A 3 -15.486 0.897 -17.139 1.00 0.00 C ATOM 21 C SER A 3 -14.182 0.128 -16.948 1.00 0.00 C ATOM 22 O SER A 3 -13.699 -0.029 -15.828 1.00 0.00 O ATOM 23 CB SER A 3 -15.282 2.368 -16.773 1.00 0.00 C ATOM 24 OG SER A 3 -16.396 3.150 -17.169 1.00 0.00 O ATOM 0 H SER A 3 -16.239 -0.091 -15.450 1.00 0.00 H new ATOM 0 HA SER A 3 -15.779 0.829 -18.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.132 2.461 -15.697 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.380 2.744 -17.255 1.00 0.00 H new ATOM 0 HG SER A 3 -16.243 4.086 -16.923 1.00 0.00 H new ATOM 30 N GLY A 4 -13.615 -0.347 -18.053 1.00 0.00 N ATOM 31 CA GLY A 4 -12.373 -1.093 -17.987 1.00 0.00 C ATOM 32 C GLY A 4 -11.178 -0.205 -17.702 1.00 0.00 C ATOM 33 O GLY A 4 -11.328 0.996 -17.480 1.00 0.00 O ATOM 0 H GLY A 4 -13.994 -0.228 -18.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.450 -1.853 -17.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.216 -1.616 -18.930 1.00 0.00 H new ATOM 37 N SER A 5 -9.988 -0.798 -17.705 1.00 0.00 N ATOM 38 CA SER A 5 -8.763 -0.053 -17.439 1.00 0.00 C ATOM 39 C SER A 5 -7.535 -0.869 -17.833 1.00 0.00 C ATOM 40 O SER A 5 -7.455 -2.066 -17.555 1.00 0.00 O ATOM 41 CB SER A 5 -8.683 0.327 -15.960 1.00 0.00 C ATOM 42 OG SER A 5 -9.505 1.446 -15.675 1.00 0.00 O ATOM 0 H SER A 5 -9.846 -1.791 -17.889 1.00 0.00 H new ATOM 0 HA SER A 5 -8.782 0.856 -18.040 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.991 -0.520 -15.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.650 0.554 -15.695 1.00 0.00 H new ATOM 0 HG SER A 5 -10.054 1.657 -16.459 1.00 0.00 H new ATOM 48 N SER A 6 -6.580 -0.212 -18.483 1.00 0.00 N ATOM 49 CA SER A 6 -5.356 -0.876 -18.919 1.00 0.00 C ATOM 50 C SER A 6 -4.610 -1.476 -17.731 1.00 0.00 C ATOM 51 O SER A 6 -5.025 -1.324 -16.583 1.00 0.00 O ATOM 52 CB SER A 6 -4.451 0.111 -19.659 1.00 0.00 C ATOM 53 OG SER A 6 -3.482 -0.570 -20.435 1.00 0.00 O ATOM 0 H SER A 6 -6.630 0.779 -18.720 1.00 0.00 H new ATOM 0 HA SER A 6 -5.632 -1.683 -19.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.055 0.750 -20.304 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.954 0.763 -18.940 1.00 0.00 H new ATOM 0 HG SER A 6 -2.917 0.083 -20.899 1.00 0.00 H new ATOM 59 N GLY A 7 -3.505 -2.157 -18.018 1.00 0.00 N ATOM 60 CA GLY A 7 -2.717 -2.770 -16.964 1.00 0.00 C ATOM 61 C GLY A 7 -1.267 -2.960 -17.359 1.00 0.00 C ATOM 62 O GLY A 7 -0.851 -4.064 -17.711 1.00 0.00 O ATOM 0 H GLY A 7 -3.141 -2.295 -18.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.768 -2.150 -16.069 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.150 -3.737 -16.707 1.00 0.00 H new ATOM 66 N LYS A 8 -0.494 -1.881 -17.304 1.00 0.00 N ATOM 67 CA LYS A 8 0.919 -1.932 -17.661 1.00 0.00 C ATOM 68 C LYS A 8 1.652 -2.980 -16.830 1.00 0.00 C ATOM 69 O LYS A 8 1.059 -3.624 -15.964 1.00 0.00 O ATOM 70 CB LYS A 8 1.567 -0.561 -17.458 1.00 0.00 C ATOM 71 CG LYS A 8 1.731 -0.175 -15.999 1.00 0.00 C ATOM 72 CD LYS A 8 2.681 0.999 -15.835 1.00 0.00 C ATOM 73 CE LYS A 8 2.750 1.464 -14.389 1.00 0.00 C ATOM 74 NZ LYS A 8 3.713 2.587 -14.212 1.00 0.00 N ATOM 0 H LYS A 8 -0.822 -0.960 -17.015 1.00 0.00 H new ATOM 0 HA LYS A 8 0.993 -2.210 -18.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.545 -0.556 -17.938 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.962 0.195 -17.959 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.759 0.081 -15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.107 -1.029 -15.436 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.677 0.712 -16.174 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.354 1.824 -16.468 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.760 1.780 -14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.045 0.629 -13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.731 2.875 -13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.663 2.278 -14.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.418 3.393 -14.799 1.00 0.00 H new ATOM 88 N GLN A 9 2.944 -3.144 -17.097 1.00 0.00 N ATOM 89 CA GLN A 9 3.756 -4.113 -16.371 1.00 0.00 C ATOM 90 C GLN A 9 3.875 -3.731 -14.900 1.00 0.00 C ATOM 91 O GLN A 9 4.174 -2.585 -14.568 1.00 0.00 O ATOM 92 CB GLN A 9 5.148 -4.214 -16.999 1.00 0.00 C ATOM 93 CG GLN A 9 5.211 -5.154 -18.191 1.00 0.00 C ATOM 94 CD GLN A 9 4.612 -6.514 -17.894 1.00 0.00 C ATOM 95 OE1 GLN A 9 5.286 -7.402 -17.370 1.00 0.00 O ATOM 96 NE2 GLN A 9 3.338 -6.686 -18.228 1.00 0.00 N ATOM 0 H GLN A 9 3.450 -2.619 -17.810 1.00 0.00 H new ATOM 0 HA GLN A 9 3.264 -5.083 -16.436 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.469 -3.221 -17.313 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.855 -4.553 -16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.683 -4.704 -19.032 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.250 -5.278 -18.497 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.817 -5.923 -18.660 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.881 -7.581 -18.052 1.00 0.00 H new ATOM 105 N ALA A 10 3.639 -4.701 -14.022 1.00 0.00 N ATOM 106 CA ALA A 10 3.721 -4.467 -12.586 1.00 0.00 C ATOM 107 C ALA A 10 4.548 -5.550 -11.899 1.00 0.00 C ATOM 108 O ALA A 10 5.053 -6.465 -12.549 1.00 0.00 O ATOM 109 CB ALA A 10 2.326 -4.402 -11.981 1.00 0.00 C ATOM 0 H ALA A 10 3.390 -5.656 -14.280 1.00 0.00 H new ATOM 0 HA ALA A 10 4.219 -3.511 -12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.403 -4.227 -10.908 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.767 -3.588 -12.443 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.808 -5.344 -12.159 1.00 0.00 H new ATOM 115 N LYS A 11 4.683 -5.439 -10.583 1.00 0.00 N ATOM 116 CA LYS A 11 5.447 -6.408 -9.807 1.00 0.00 C ATOM 117 C LYS A 11 4.814 -6.629 -8.437 1.00 0.00 C ATOM 118 O LYS A 11 4.187 -5.728 -7.880 1.00 0.00 O ATOM 119 CB LYS A 11 6.894 -5.933 -9.642 1.00 0.00 C ATOM 120 CG LYS A 11 7.024 -4.648 -8.843 1.00 0.00 C ATOM 121 CD LYS A 11 8.380 -4.548 -8.164 1.00 0.00 C ATOM 122 CE LYS A 11 8.695 -3.118 -7.755 1.00 0.00 C ATOM 123 NZ LYS A 11 9.724 -3.063 -6.680 1.00 0.00 N ATOM 0 H LYS A 11 4.273 -4.686 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 11 5.441 -7.355 -10.347 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.471 -6.716 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.334 -5.784 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.883 -3.792 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.236 -4.604 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.396 -5.191 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.154 -4.913 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.047 -2.561 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.783 -2.629 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.911 -2.071 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.378 -3.573 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.602 -3.506 -7.017 1.00 0.00 H new ATOM 137 N ILE A 12 4.985 -7.832 -7.899 1.00 0.00 N ATOM 138 CA ILE A 12 4.432 -8.170 -6.593 1.00 0.00 C ATOM 139 C ILE A 12 5.520 -8.185 -5.524 1.00 0.00 C ATOM 140 O ILE A 12 6.595 -8.749 -5.725 1.00 0.00 O ATOM 141 CB ILE A 12 3.731 -9.541 -6.616 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.690 -9.587 -7.736 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.082 -9.826 -5.270 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.073 -10.955 -7.932 1.00 0.00 C ATOM 0 H ILE A 12 5.502 -8.589 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 12 3.698 -7.401 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 12 4.478 -10.312 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.900 -8.869 -7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.157 -9.271 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.591 -10.798 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.845 -9.830 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.345 -9.054 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.344 -10.913 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.853 -11.674 -8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.576 -11.265 -7.013 1.00 0.00 H new ATOM 156 N HIS A 13 5.231 -7.562 -4.385 1.00 0.00 N ATOM 157 CA HIS A 13 6.183 -7.506 -3.282 1.00 0.00 C ATOM 158 C HIS A 13 5.906 -8.613 -2.268 1.00 0.00 C ATOM 159 O HIS A 13 4.964 -8.524 -1.479 1.00 0.00 O ATOM 160 CB HIS A 13 6.119 -6.142 -2.594 1.00 0.00 C ATOM 161 CG HIS A 13 6.113 -4.989 -3.550 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.917 -3.880 -3.396 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.396 -4.778 -4.679 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.693 -3.036 -4.388 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.775 -3.557 -5.180 1.00 0.00 N ATOM 0 H HIS A 13 4.346 -7.089 -4.203 1.00 0.00 H new ATOM 0 HA HIS A 13 7.183 -7.653 -3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.221 -6.097 -1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.972 -6.042 -1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.662 -5.446 -5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.179 -2.082 -4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.407 -3.123 -6.027 1.00 0.00 H new ATOM 173 N TYR A 14 6.730 -9.654 -2.297 1.00 0.00 N ATOM 174 CA TYR A 14 6.573 -10.779 -1.383 1.00 0.00 C ATOM 175 C TYR A 14 7.095 -10.430 0.007 1.00 0.00 C ATOM 176 O TYR A 14 7.921 -11.148 0.571 1.00 0.00 O ATOM 177 CB TYR A 14 7.308 -12.007 -1.922 1.00 0.00 C ATOM 178 CG TYR A 14 6.889 -12.399 -3.321 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.547 -12.529 -3.656 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.836 -12.636 -4.310 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.160 -12.886 -4.932 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.458 -12.993 -5.590 1.00 0.00 C ATOM 183 CZ TYR A 14 6.119 -13.117 -5.896 1.00 0.00 C ATOM 184 OH TYR A 14 5.738 -13.472 -7.169 1.00 0.00 O ATOM 0 H TYR A 14 7.514 -9.742 -2.944 1.00 0.00 H new ATOM 0 HA TYR A 14 5.509 -11.005 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.380 -11.810 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.134 -12.848 -1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.793 -12.347 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.885 -12.539 -4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.112 -12.984 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.207 -13.174 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 14 6.535 -13.597 -7.726 1.00 0.00 H new ATOM 194 N ILE A 15 6.605 -9.321 0.554 1.00 0.00 N ATOM 195 CA ILE A 15 7.020 -8.877 1.878 1.00 0.00 C ATOM 196 C ILE A 15 6.153 -9.504 2.966 1.00 0.00 C ATOM 197 O ILE A 15 4.956 -9.717 2.775 1.00 0.00 O ATOM 198 CB ILE A 15 6.953 -7.343 2.005 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.269 -6.713 1.544 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.640 -6.943 3.439 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.266 -6.302 0.089 1.00 0.00 C ATOM 0 H ILE A 15 5.921 -8.715 0.100 1.00 0.00 H new ATOM 0 HA ILE A 15 8.053 -9.200 2.009 1.00 0.00 H new ATOM 0 HB ILE A 15 6.152 -6.975 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.479 -5.838 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.080 -7.422 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.596 -5.856 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.679 -7.366 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.420 -7.320 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.230 -5.863 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.088 -7.177 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.478 -5.569 -0.080 1.00 0.00 H new ATOM 213 N LYS A 16 6.766 -9.796 4.108 1.00 0.00 N ATOM 214 CA LYS A 16 6.051 -10.395 5.229 1.00 0.00 C ATOM 215 C LYS A 16 5.063 -11.450 4.742 1.00 0.00 C ATOM 216 O LYS A 16 3.996 -11.632 5.326 1.00 0.00 O ATOM 217 CB LYS A 16 5.311 -9.317 6.024 1.00 0.00 C ATOM 218 CG LYS A 16 6.234 -8.313 6.691 1.00 0.00 C ATOM 219 CD LYS A 16 7.035 -8.950 7.813 1.00 0.00 C ATOM 220 CE LYS A 16 8.115 -8.013 8.331 1.00 0.00 C ATOM 221 NZ LYS A 16 8.965 -8.663 9.367 1.00 0.00 N ATOM 0 H LYS A 16 7.757 -9.628 4.282 1.00 0.00 H new ATOM 0 HA LYS A 16 6.782 -10.878 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.632 -8.786 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.697 -9.797 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.915 -7.895 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.646 -7.485 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.366 -9.222 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.493 -9.872 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.741 -7.686 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.651 -7.120 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.688 -7.991 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.372 -8.952 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.429 -9.500 8.960 1.00 0.00 H new ATOM 235 N ASN A 17 5.427 -12.145 3.669 1.00 0.00 N ATOM 236 CA ASN A 17 4.573 -13.183 3.105 1.00 0.00 C ATOM 237 C ASN A 17 3.273 -12.588 2.571 1.00 0.00 C ATOM 238 O ASN A 17 2.197 -13.157 2.752 1.00 0.00 O ATOM 239 CB ASN A 17 4.265 -14.248 4.159 1.00 0.00 C ATOM 240 CG ASN A 17 5.264 -15.389 4.138 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.470 -15.175 4.255 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.764 -16.610 3.987 1.00 0.00 N ATOM 0 H ASN A 17 6.308 -12.008 3.173 1.00 0.00 H new ATOM 0 HA ASN A 17 5.107 -13.647 2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.264 -13.788 5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.263 -14.643 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.387 -17.417 3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.757 -16.741 3.894 1.00 0.00 H new ATOM 249 N HIS A 18 3.382 -11.439 1.912 1.00 0.00 N ATOM 250 CA HIS A 18 2.215 -10.766 1.351 1.00 0.00 C ATOM 251 C HIS A 18 2.346 -10.624 -0.162 1.00 0.00 C ATOM 252 O HIS A 18 3.312 -11.099 -0.758 1.00 0.00 O ATOM 253 CB HIS A 18 2.038 -9.389 1.990 1.00 0.00 C ATOM 254 CG HIS A 18 1.299 -9.424 3.293 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.057 -9.195 3.395 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.734 -9.666 4.552 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.423 -9.292 4.661 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.645 -9.577 5.384 1.00 0.00 N ATOM 0 H HIS A 18 4.265 -10.955 1.753 1.00 0.00 H new ATOM 0 HA HIS A 18 1.337 -11.374 1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.020 -8.943 2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.503 -8.741 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.749 -9.888 4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.426 -9.161 5.040 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.659 -9.709 6.395 1.00 0.00 H new ATOM 266 N GLU A 19 1.366 -9.969 -0.777 1.00 0.00 N ATOM 267 CA GLU A 19 1.371 -9.766 -2.222 1.00 0.00 C ATOM 268 C GLU A 19 1.130 -8.300 -2.567 1.00 0.00 C ATOM 269 O GLU A 19 0.546 -7.983 -3.603 1.00 0.00 O ATOM 270 CB GLU A 19 0.305 -10.641 -2.885 1.00 0.00 C ATOM 271 CG GLU A 19 0.655 -12.119 -2.903 1.00 0.00 C ATOM 272 CD GLU A 19 0.957 -12.664 -1.519 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.192 -12.357 -0.581 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.957 -13.398 -1.377 1.00 0.00 O ATOM 0 H GLU A 19 0.559 -9.570 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 19 2.352 -10.052 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.641 -10.507 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.153 -10.300 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.173 -12.679 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.520 -12.276 -3.548 1.00 0.00 H new ATOM 281 N PHE A 20 1.584 -7.410 -1.690 1.00 0.00 N ATOM 282 CA PHE A 20 1.416 -5.976 -1.900 1.00 0.00 C ATOM 283 C PHE A 20 1.767 -5.592 -3.335 1.00 0.00 C ATOM 284 O PHE A 20 2.934 -5.618 -3.727 1.00 0.00 O ATOM 285 CB PHE A 20 2.290 -5.191 -0.921 1.00 0.00 C ATOM 286 CG PHE A 20 1.943 -5.431 0.519 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.679 -5.126 1.001 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.878 -5.963 1.393 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.357 -5.346 2.328 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.561 -6.185 2.719 1.00 0.00 C ATOM 291 CZ PHE A 20 1.298 -5.877 3.187 1.00 0.00 C ATOM 0 H PHE A 20 2.071 -7.656 -0.828 1.00 0.00 H new ATOM 0 HA PHE A 20 0.370 -5.727 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.334 -5.458 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.196 -4.127 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.062 -4.712 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.867 -6.207 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.630 -5.102 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.300 -6.599 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.047 -6.051 4.223 1.00 0.00 H new ATOM 301 N ILE A 21 0.749 -5.238 -4.112 1.00 0.00 N ATOM 302 CA ILE A 21 0.949 -4.848 -5.502 1.00 0.00 C ATOM 303 C ILE A 21 0.754 -3.348 -5.686 1.00 0.00 C ATOM 304 O ILE A 21 -0.283 -2.796 -5.315 1.00 0.00 O ATOM 305 CB ILE A 21 -0.013 -5.599 -6.441 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.484 -7.026 -6.681 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.155 -4.853 -7.759 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.319 -7.779 -7.719 1.00 0.00 C ATOM 0 H ILE A 21 -0.223 -5.213 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 21 1.975 -5.112 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.993 -5.651 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.527 -6.991 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.453 -7.576 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.838 -5.396 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.549 -3.854 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.820 -4.774 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.090 -8.783 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.358 -7.846 -7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.268 -7.252 -8.672 1.00 0.00 H new ATOM 320 N ALA A 22 1.757 -2.692 -6.261 1.00 0.00 N ATOM 321 CA ALA A 22 1.693 -1.255 -6.498 1.00 0.00 C ATOM 322 C ALA A 22 0.347 -0.855 -7.093 1.00 0.00 C ATOM 323 O ALA A 22 -0.052 -1.353 -8.146 1.00 0.00 O ATOM 324 CB ALA A 22 2.827 -0.821 -7.415 1.00 0.00 C ATOM 0 H ALA A 22 2.623 -3.133 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 22 1.801 -0.749 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.767 0.254 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.783 -1.063 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.744 -1.343 -8.368 1.00 0.00 H new ATOM 330 N THR A 23 -0.352 0.047 -6.411 1.00 0.00 N ATOM 331 CA THR A 23 -1.654 0.513 -6.870 1.00 0.00 C ATOM 332 C THR A 23 -1.883 1.970 -6.488 1.00 0.00 C ATOM 333 O THR A 23 -1.481 2.411 -5.411 1.00 0.00 O ATOM 334 CB THR A 23 -2.795 -0.345 -6.288 1.00 0.00 C ATOM 335 OG1 THR A 23 -3.992 -0.147 -7.048 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.047 0.009 -4.831 1.00 0.00 C ATOM 0 H THR A 23 -0.037 0.470 -5.538 1.00 0.00 H new ATOM 0 HA THR A 23 -1.658 0.421 -7.956 1.00 0.00 H new ATOM 0 HB THR A 23 -2.499 -1.393 -6.344 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.712 -0.696 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.856 -0.609 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.142 -0.170 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.324 1.060 -4.755 1.00 0.00 H new ATOM 344 N PHE A 24 -2.534 2.714 -7.375 1.00 0.00 N ATOM 345 CA PHE A 24 -2.817 4.124 -7.130 1.00 0.00 C ATOM 346 C PHE A 24 -4.229 4.308 -6.583 1.00 0.00 C ATOM 347 O PHE A 24 -5.214 4.028 -7.266 1.00 0.00 O ATOM 348 CB PHE A 24 -2.649 4.931 -8.419 1.00 0.00 C ATOM 349 CG PHE A 24 -3.199 6.326 -8.329 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.459 7.339 -7.740 1.00 0.00 C ATOM 351 CD2 PHE A 24 -4.455 6.624 -8.832 1.00 0.00 C ATOM 352 CE1 PHE A 24 -2.962 8.625 -7.656 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.963 7.907 -8.750 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.216 8.908 -8.161 1.00 0.00 C ATOM 0 H PHE A 24 -2.876 2.365 -8.270 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.108 4.487 -6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.590 4.982 -8.671 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.145 4.405 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.479 7.122 -7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.044 5.845 -9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.375 9.406 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.943 8.126 -9.146 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.612 9.911 -8.095 1.00 0.00 H new ATOM 364 N PHE A 25 -4.320 4.780 -5.344 1.00 0.00 N ATOM 365 CA PHE A 25 -5.612 5.001 -4.702 1.00 0.00 C ATOM 366 C PHE A 25 -6.100 6.426 -4.939 1.00 0.00 C ATOM 367 O PHE A 25 -5.802 7.333 -4.163 1.00 0.00 O ATOM 368 CB PHE A 25 -5.511 4.726 -3.200 1.00 0.00 C ATOM 369 CG PHE A 25 -4.667 3.531 -2.863 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.283 3.619 -2.869 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.255 2.319 -2.544 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.504 2.522 -2.560 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.480 1.217 -2.233 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.103 1.318 -2.242 1.00 0.00 C ATOM 0 H PHE A 25 -3.515 5.017 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.333 4.312 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.096 5.604 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.513 4.577 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.809 4.557 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.332 2.233 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.427 2.605 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.951 0.278 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.496 0.458 -2.001 1.00 0.00 H new ATOM 384 N GLY A 26 -6.853 6.616 -6.018 1.00 0.00 N ATOM 385 CA GLY A 26 -7.371 7.933 -6.339 1.00 0.00 C ATOM 386 C GLY A 26 -8.126 8.557 -5.182 1.00 0.00 C ATOM 387 O GLY A 26 -8.249 9.779 -5.101 1.00 0.00 O ATOM 0 H GLY A 26 -7.114 5.881 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.545 8.585 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.032 7.859 -7.203 1.00 0.00 H new ATOM 391 N GLN A 27 -8.634 7.717 -4.287 1.00 0.00 N ATOM 392 CA GLN A 27 -9.383 8.194 -3.131 1.00 0.00 C ATOM 393 C GLN A 27 -8.595 7.976 -1.843 1.00 0.00 C ATOM 394 O GLN A 27 -7.714 7.119 -1.764 1.00 0.00 O ATOM 395 CB GLN A 27 -10.734 7.482 -3.042 1.00 0.00 C ATOM 396 CG GLN A 27 -11.757 7.993 -4.044 1.00 0.00 C ATOM 397 CD GLN A 27 -12.925 7.043 -4.220 1.00 0.00 C ATOM 398 OE1 GLN A 27 -13.317 6.341 -3.287 1.00 0.00 O ATOM 399 NE2 GLN A 27 -13.490 7.016 -5.422 1.00 0.00 N ATOM 0 H GLN A 27 -8.541 6.703 -4.340 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.551 9.264 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.584 6.414 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.133 7.602 -2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.129 8.963 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.271 8.148 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.133 7.615 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.281 6.397 -5.600 1.00 0.00 H new ATOM 408 N PRO A 28 -8.917 8.767 -0.810 1.00 0.00 N ATOM 409 CA PRO A 28 -8.250 8.678 0.493 1.00 0.00 C ATOM 410 C PRO A 28 -8.604 7.396 1.239 1.00 0.00 C ATOM 411 O PRO A 28 -9.452 7.398 2.132 1.00 0.00 O ATOM 412 CB PRO A 28 -8.784 9.899 1.248 1.00 0.00 C ATOM 413 CG PRO A 28 -10.100 10.191 0.615 1.00 0.00 C ATOM 414 CD PRO A 28 -9.958 9.809 -0.833 1.00 0.00 C ATOM 0 HA PRO A 28 -7.165 8.660 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.894 9.689 2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.105 10.747 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.897 9.621 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.357 11.245 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.895 9.432 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.661 10.660 -1.446 1.00 0.00 H new ATOM 422 N THR A 29 -7.947 6.302 0.868 1.00 0.00 N ATOM 423 CA THR A 29 -8.192 5.012 1.501 1.00 0.00 C ATOM 424 C THR A 29 -7.581 4.960 2.897 1.00 0.00 C ATOM 425 O THR A 29 -6.798 5.831 3.275 1.00 0.00 O ATOM 426 CB THR A 29 -7.621 3.855 0.660 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.005 4.010 -0.712 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.112 2.513 1.181 1.00 0.00 C ATOM 0 H THR A 29 -7.241 6.283 0.132 1.00 0.00 H new ATOM 0 HA THR A 29 -9.273 4.897 1.576 1.00 0.00 H new ATOM 0 HB THR A 29 -6.534 3.881 0.738 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.637 3.271 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.695 1.711 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.793 2.385 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.200 2.479 1.130 1.00 0.00 H new ATOM 436 N PHE A 30 -7.944 3.933 3.659 1.00 0.00 N ATOM 437 CA PHE A 30 -7.432 3.768 5.014 1.00 0.00 C ATOM 438 C PHE A 30 -6.225 2.834 5.029 1.00 0.00 C ATOM 439 O PHE A 30 -6.015 2.057 4.097 1.00 0.00 O ATOM 440 CB PHE A 30 -8.526 3.221 5.933 1.00 0.00 C ATOM 441 CG PHE A 30 -8.386 3.663 7.361 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.573 4.990 7.711 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.068 2.750 8.354 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.443 5.399 9.025 1.00 0.00 C ATOM 445 CE2 PHE A 30 -7.938 3.154 9.670 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.127 4.480 10.006 1.00 0.00 C ATOM 0 H PHE A 30 -8.591 3.203 3.361 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.117 4.746 5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.498 3.539 5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.510 2.132 5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.823 5.713 6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.920 1.711 8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.589 6.437 9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.689 2.433 10.435 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.028 4.798 11.034 1.00 0.00 H new ATOM 456 N CYS A 31 -5.434 2.918 6.093 1.00 0.00 N ATOM 457 CA CYS A 31 -4.248 2.082 6.231 1.00 0.00 C ATOM 458 C CYS A 31 -4.408 1.096 7.384 1.00 0.00 C ATOM 459 O CYS A 31 -5.262 1.273 8.252 1.00 0.00 O ATOM 460 CB CYS A 31 -3.009 2.951 6.458 1.00 0.00 C ATOM 461 SG CYS A 31 -1.476 2.006 6.733 1.00 0.00 S ATOM 0 H CYS A 31 -5.593 3.557 6.872 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.124 1.517 5.307 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.872 3.602 5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.184 3.597 7.319 1.00 0.00 H new ATOM 466 N SER A 32 -3.580 0.055 7.385 1.00 0.00 N ATOM 467 CA SER A 32 -3.632 -0.961 8.429 1.00 0.00 C ATOM 468 C SER A 32 -2.483 -0.786 9.416 1.00 0.00 C ATOM 469 O SER A 32 -2.672 -0.877 10.630 1.00 0.00 O ATOM 470 CB SER A 32 -3.579 -2.360 7.810 1.00 0.00 C ATOM 471 OG SER A 32 -3.401 -3.352 8.807 1.00 0.00 O ATOM 0 H SER A 32 -2.866 -0.106 6.675 1.00 0.00 H new ATOM 0 HA SER A 32 -4.572 -0.844 8.969 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.500 -2.553 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.762 -2.412 7.091 1.00 0.00 H new ATOM 0 HG SER A 32 -3.372 -4.237 8.387 1.00 0.00 H new ATOM 477 N VAL A 33 -1.289 -0.534 8.888 1.00 0.00 N ATOM 478 CA VAL A 33 -0.108 -0.344 9.721 1.00 0.00 C ATOM 479 C VAL A 33 -0.280 0.850 10.653 1.00 0.00 C ATOM 480 O VAL A 33 -0.408 0.691 11.866 1.00 0.00 O ATOM 481 CB VAL A 33 1.155 -0.135 8.864 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.329 0.282 9.737 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.483 -1.399 8.084 1.00 0.00 C ATOM 0 H VAL A 33 -1.114 -0.457 7.886 1.00 0.00 H new ATOM 0 HA VAL A 33 0.011 -1.250 10.315 1.00 0.00 H new ATOM 0 HB VAL A 33 0.961 0.666 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.212 0.425 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.090 1.215 10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.527 -0.495 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.378 -1.234 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.658 -2.220 8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.648 -1.650 7.429 1.00 0.00 H new ATOM 493 N CYS A 34 -0.282 2.048 10.077 1.00 0.00 N ATOM 494 CA CYS A 34 -0.437 3.271 10.855 1.00 0.00 C ATOM 495 C CYS A 34 -1.911 3.638 11.002 1.00 0.00 C ATOM 496 O CYS A 34 -2.333 4.157 12.036 1.00 0.00 O ATOM 497 CB CYS A 34 0.322 4.422 10.192 1.00 0.00 C ATOM 498 SG CYS A 34 -0.444 5.032 8.656 1.00 0.00 S ATOM 0 H CYS A 34 -0.178 2.197 9.073 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.023 3.096 11.848 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.399 5.248 10.900 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.338 4.094 9.973 1.00 0.00 H new ATOM 503 N LYS A 35 -2.691 3.364 9.961 1.00 0.00 N ATOM 504 CA LYS A 35 -4.117 3.664 9.973 1.00 0.00 C ATOM 505 C LYS A 35 -4.360 5.165 9.850 1.00 0.00 C ATOM 506 O LYS A 35 -5.075 5.756 10.659 1.00 0.00 O ATOM 507 CB LYS A 35 -4.759 3.136 11.258 1.00 0.00 C ATOM 508 CG LYS A 35 -4.305 1.736 11.636 1.00 0.00 C ATOM 509 CD LYS A 35 -5.364 1.005 12.444 1.00 0.00 C ATOM 510 CE LYS A 35 -5.192 1.249 13.936 1.00 0.00 C ATOM 511 NZ LYS A 35 -5.834 2.521 14.367 1.00 0.00 N ATOM 0 H LYS A 35 -2.358 2.934 9.098 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.574 3.169 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.527 3.817 12.076 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.843 3.138 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.080 1.169 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.382 1.795 12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.355 1.336 12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.306 -0.064 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.624 0.417 14.492 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.130 1.277 14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.129 3.124 14.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.214 3.017 13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.608 2.312 15.029 1.00 0.00 H new ATOM 525 N ASP A 36 -3.762 5.774 8.833 1.00 0.00 N ATOM 526 CA ASP A 36 -3.915 7.205 8.602 1.00 0.00 C ATOM 527 C ASP A 36 -4.232 7.489 7.138 1.00 0.00 C ATOM 528 O ASP A 36 -3.609 6.926 6.237 1.00 0.00 O ATOM 529 CB ASP A 36 -2.644 7.950 9.015 1.00 0.00 C ATOM 530 CG ASP A 36 -2.918 9.385 9.416 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.921 9.955 8.936 1.00 0.00 O ATOM 532 OD2 ASP A 36 -2.130 9.940 10.210 1.00 0.00 O ATOM 0 H ASP A 36 -3.166 5.299 8.155 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.748 7.558 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.174 7.427 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.934 7.936 8.188 1.00 0.00 H new ATOM 537 N PHE A 37 -5.204 8.365 6.906 1.00 0.00 N ATOM 538 CA PHE A 37 -5.605 8.723 5.550 1.00 0.00 C ATOM 539 C PHE A 37 -4.408 8.699 4.605 1.00 0.00 C ATOM 540 O PHE A 37 -3.473 9.489 4.749 1.00 0.00 O ATOM 541 CB PHE A 37 -6.254 10.108 5.536 1.00 0.00 C ATOM 542 CG PHE A 37 -7.143 10.365 6.719 1.00 0.00 C ATOM 543 CD1 PHE A 37 -6.628 10.914 7.882 1.00 0.00 C ATOM 544 CD2 PHE A 37 -8.494 10.059 6.667 1.00 0.00 C ATOM 545 CE1 PHE A 37 -7.444 11.151 8.973 1.00 0.00 C ATOM 546 CE2 PHE A 37 -9.314 10.295 7.755 1.00 0.00 C ATOM 547 CZ PHE A 37 -8.788 10.843 8.908 1.00 0.00 C ATOM 0 H PHE A 37 -5.729 8.840 7.640 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.331 7.987 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.472 10.867 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.838 10.218 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.578 11.160 7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.911 9.632 5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.030 11.577 9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.365 10.051 7.703 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.427 11.030 9.758 1.00 0.00 H new ATOM 557 N VAL A 38 -4.441 7.789 3.638 1.00 0.00 N ATOM 558 CA VAL A 38 -3.361 7.663 2.668 1.00 0.00 C ATOM 559 C VAL A 38 -3.463 8.733 1.587 1.00 0.00 C ATOM 560 O VAL A 38 -3.314 8.446 0.400 1.00 0.00 O ATOM 561 CB VAL A 38 -3.364 6.274 2.000 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.038 6.014 1.303 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.656 5.191 3.028 1.00 0.00 C ATOM 0 H VAL A 38 -5.206 7.127 3.505 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.428 7.793 3.217 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.153 6.253 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.059 5.029 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.874 6.773 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.229 6.053 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.655 4.216 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.890 5.210 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.633 5.370 3.478 1.00 0.00 H new ATOM 573 N TRP A 39 -3.719 9.966 2.008 1.00 0.00 N ATOM 574 CA TRP A 39 -3.841 11.082 1.076 1.00 0.00 C ATOM 575 C TRP A 39 -2.832 12.178 1.402 1.00 0.00 C ATOM 576 O TRP A 39 -3.163 13.362 1.390 1.00 0.00 O ATOM 577 CB TRP A 39 -5.260 11.650 1.112 1.00 0.00 C ATOM 578 CG TRP A 39 -5.494 12.589 2.256 1.00 0.00 C ATOM 579 CD1 TRP A 39 -4.896 12.551 3.484 1.00 0.00 C ATOM 580 CD2 TRP A 39 -6.392 13.704 2.280 1.00 0.00 C ATOM 581 NE1 TRP A 39 -5.368 13.575 4.269 1.00 0.00 N ATOM 582 CE2 TRP A 39 -6.286 14.298 3.554 1.00 0.00 C ATOM 583 CE3 TRP A 39 -7.273 14.261 1.349 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -7.030 15.417 3.917 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -8.011 15.372 1.711 1.00 0.00 C ATOM 586 CH2 TRP A 39 -7.885 15.942 2.985 1.00 0.00 C ATOM 0 H TRP A 39 -3.846 10.219 2.988 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.632 10.710 0.073 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.459 12.172 0.176 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.972 10.827 1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.160 11.823 3.792 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -5.081 13.766 5.229 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.375 13.831 0.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.936 15.856 4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.697 15.808 1.000 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -8.473 16.812 3.237 1.00 0.00 H new ATOM 597 N GLY A 40 -1.599 11.774 1.695 1.00 0.00 N ATOM 598 CA GLY A 40 -0.561 12.734 2.020 1.00 0.00 C ATOM 599 C GLY A 40 0.411 12.948 0.876 1.00 0.00 C ATOM 600 O GLY A 40 0.001 13.206 -0.256 1.00 0.00 O ATOM 0 H GLY A 40 -1.301 10.799 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.021 13.686 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.014 12.390 2.898 1.00 0.00 H new ATOM 604 N LEU A 41 1.702 12.842 1.173 1.00 0.00 N ATOM 605 CA LEU A 41 2.735 13.027 0.161 1.00 0.00 C ATOM 606 C LEU A 41 2.266 12.517 -1.197 1.00 0.00 C ATOM 607 O LEU A 41 2.087 13.293 -2.136 1.00 0.00 O ATOM 608 CB LEU A 41 4.017 12.302 0.574 1.00 0.00 C ATOM 609 CG LEU A 41 4.851 12.983 1.661 1.00 0.00 C ATOM 610 CD1 LEU A 41 5.747 11.970 2.359 1.00 0.00 C ATOM 611 CD2 LEU A 41 5.682 14.111 1.068 1.00 0.00 C ATOM 0 H LEU A 41 2.057 12.629 2.105 1.00 0.00 H new ATOM 0 HA LEU A 41 2.938 14.095 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.751 11.303 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.641 12.177 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 41 4.172 13.408 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.333 12.472 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.132 11.196 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.419 11.516 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.269 14.584 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.352 13.709 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.021 14.850 0.614 1.00 0.00 H new ATOM 623 N ASN A 42 2.066 11.206 -1.295 1.00 0.00 N ATOM 624 CA ASN A 42 1.615 10.593 -2.539 1.00 0.00 C ATOM 625 C ASN A 42 0.469 9.618 -2.280 1.00 0.00 C ATOM 626 O ASN A 42 0.656 8.575 -1.654 1.00 0.00 O ATOM 627 CB ASN A 42 2.774 9.864 -3.221 1.00 0.00 C ATOM 628 CG ASN A 42 3.860 10.816 -3.688 1.00 0.00 C ATOM 629 OD1 ASN A 42 4.962 10.833 -3.140 1.00 0.00 O ATOM 630 ND2 ASN A 42 3.551 11.612 -4.705 1.00 0.00 N ATOM 0 H ASN A 42 2.209 10.549 -0.528 1.00 0.00 H new ATOM 0 HA ASN A 42 1.255 11.385 -3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.202 9.140 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.395 9.303 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.240 12.273 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.624 11.563 -5.128 1.00 0.00 H new ATOM 637 N LYS A 43 -0.717 9.966 -2.767 1.00 0.00 N ATOM 638 CA LYS A 43 -1.894 9.122 -2.592 1.00 0.00 C ATOM 639 C LYS A 43 -1.560 7.659 -2.865 1.00 0.00 C ATOM 640 O LYS A 43 -2.038 6.765 -2.168 1.00 0.00 O ATOM 641 CB LYS A 43 -3.019 9.582 -3.521 1.00 0.00 C ATOM 642 CG LYS A 43 -3.428 11.030 -3.311 1.00 0.00 C ATOM 643 CD LYS A 43 -4.863 11.272 -3.747 1.00 0.00 C ATOM 644 CE LYS A 43 -5.845 10.975 -2.623 1.00 0.00 C ATOM 645 NZ LYS A 43 -5.936 9.517 -2.338 1.00 0.00 N ATOM 0 H LYS A 43 -0.889 10.827 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.225 9.213 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.702 9.449 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.888 8.942 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.317 11.291 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.761 11.683 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.977 12.308 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.093 10.645 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.535 11.503 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.831 11.355 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.698 9.344 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.140 9.003 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.033 9.183 -1.944 1.00 0.00 H new ATOM 659 N GLN A 44 -0.737 7.425 -3.882 1.00 0.00 N ATOM 660 CA GLN A 44 -0.340 6.070 -4.246 1.00 0.00 C ATOM 661 C GLN A 44 0.325 5.363 -3.069 1.00 0.00 C ATOM 662 O GLN A 44 0.790 6.006 -2.128 1.00 0.00 O ATOM 663 CB GLN A 44 0.611 6.099 -5.443 1.00 0.00 C ATOM 664 CG GLN A 44 0.758 4.753 -6.137 1.00 0.00 C ATOM 665 CD GLN A 44 1.886 3.919 -5.561 1.00 0.00 C ATOM 666 OE1 GLN A 44 2.650 4.387 -4.715 1.00 0.00 O ATOM 667 NE2 GLN A 44 1.997 2.678 -6.016 1.00 0.00 N ATOM 0 H GLN A 44 -0.332 8.155 -4.468 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.238 5.516 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.252 6.833 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.592 6.435 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.178 4.200 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.937 4.914 -7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.342 2.331 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.737 2.070 -5.665 1.00 0.00 H new ATOM 676 N GLY A 45 0.369 4.035 -3.129 1.00 0.00 N ATOM 677 CA GLY A 45 0.978 3.264 -2.062 1.00 0.00 C ATOM 678 C GLY A 45 1.066 1.787 -2.392 1.00 0.00 C ATOM 679 O GLY A 45 1.528 1.411 -3.470 1.00 0.00 O ATOM 0 H GLY A 45 -0.007 3.480 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.978 3.649 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.400 3.395 -1.147 1.00 0.00 H new ATOM 683 N TYR A 46 0.625 0.948 -1.463 1.00 0.00 N ATOM 684 CA TYR A 46 0.659 -0.497 -1.658 1.00 0.00 C ATOM 685 C TYR A 46 -0.631 -1.144 -1.166 1.00 0.00 C ATOM 686 O TYR A 46 -1.205 -0.728 -0.159 1.00 0.00 O ATOM 687 CB TYR A 46 1.858 -1.103 -0.927 1.00 0.00 C ATOM 688 CG TYR A 46 3.193 -0.634 -1.460 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.451 -0.618 -2.825 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.196 -0.206 -0.599 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.670 -0.191 -3.317 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.417 0.224 -1.082 1.00 0.00 C ATOM 693 CZ TYR A 46 5.649 0.229 -2.441 1.00 0.00 C ATOM 694 OH TYR A 46 6.864 0.657 -2.926 1.00 0.00 O ATOM 0 H TYR A 46 0.239 1.243 -0.566 1.00 0.00 H new ATOM 0 HA TYR A 46 0.757 -0.692 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.791 -0.853 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.808 -2.189 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.686 -0.945 -3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.018 -0.209 0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.855 -0.186 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.185 0.554 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 46 7.441 0.919 -2.178 1.00 0.00 H new ATOM 704 N LYS A 47 -1.083 -2.168 -1.883 1.00 0.00 N ATOM 705 CA LYS A 47 -2.304 -2.877 -1.521 1.00 0.00 C ATOM 706 C LYS A 47 -2.199 -4.358 -1.872 1.00 0.00 C ATOM 707 O LYS A 47 -1.909 -4.716 -3.014 1.00 0.00 O ATOM 708 CB LYS A 47 -3.508 -2.257 -2.233 1.00 0.00 C ATOM 709 CG LYS A 47 -4.789 -3.060 -2.075 1.00 0.00 C ATOM 710 CD LYS A 47 -6.019 -2.202 -2.316 1.00 0.00 C ATOM 711 CE LYS A 47 -7.295 -3.026 -2.244 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.434 -2.344 -2.920 1.00 0.00 N ATOM 0 H LYS A 47 -0.621 -2.525 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.441 -2.787 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.670 -1.251 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.280 -2.157 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.784 -3.895 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.832 -3.485 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.058 -1.403 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.946 -1.726 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.126 -3.998 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.550 -3.211 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.285 -2.937 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.612 -1.428 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.201 -2.190 -3.922 1.00 0.00 H new ATOM 726 N CYS A 48 -2.438 -5.214 -0.885 1.00 0.00 N ATOM 727 CA CYS A 48 -2.370 -6.656 -1.090 1.00 0.00 C ATOM 728 C CYS A 48 -3.605 -7.158 -1.832 1.00 0.00 C ATOM 729 O CYS A 48 -4.727 -7.049 -1.338 1.00 0.00 O ATOM 730 CB CYS A 48 -2.242 -7.377 0.254 1.00 0.00 C ATOM 731 SG CYS A 48 -1.810 -9.142 0.112 1.00 0.00 S ATOM 0 H CYS A 48 -2.681 -4.934 0.065 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.490 -6.871 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.482 -6.875 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.185 -7.287 0.794 1.00 0.00 H new ATOM 736 N ARG A 49 -3.390 -7.709 -3.022 1.00 0.00 N ATOM 737 CA ARG A 49 -4.485 -8.227 -3.833 1.00 0.00 C ATOM 738 C ARG A 49 -4.968 -9.573 -3.301 1.00 0.00 C ATOM 739 O ARG A 49 -5.771 -10.251 -3.939 1.00 0.00 O ATOM 740 CB ARG A 49 -4.043 -8.373 -5.291 1.00 0.00 C ATOM 741 CG ARG A 49 -2.719 -9.102 -5.456 1.00 0.00 C ATOM 742 CD ARG A 49 -2.633 -9.802 -6.804 1.00 0.00 C ATOM 743 NE ARG A 49 -3.603 -10.889 -6.918 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.956 -11.440 -8.073 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.421 -11.011 -9.208 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.844 -12.426 -8.096 1.00 0.00 N ATOM 0 H ARG A 49 -2.468 -7.808 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.310 -7.517 -3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.815 -8.909 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.961 -7.382 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.897 -8.392 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.603 -9.834 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.804 -9.078 -7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.627 -10.197 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.032 -11.244 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.736 -10.255 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.695 -11.437 -10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.256 -12.761 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.114 -12.848 -8.984 1.00 0.00 H new ATOM 760 N GLN A 50 -4.469 -9.952 -2.128 1.00 0.00 N ATOM 761 CA GLN A 50 -4.849 -11.217 -1.511 1.00 0.00 C ATOM 762 C GLN A 50 -5.766 -10.985 -0.314 1.00 0.00 C ATOM 763 O GLN A 50 -6.881 -11.504 -0.264 1.00 0.00 O ATOM 764 CB GLN A 50 -3.604 -11.989 -1.071 1.00 0.00 C ATOM 765 CG GLN A 50 -2.634 -12.276 -2.206 1.00 0.00 C ATOM 766 CD GLN A 50 -2.957 -13.565 -2.937 1.00 0.00 C ATOM 767 OE1 GLN A 50 -3.081 -14.625 -2.324 1.00 0.00 O ATOM 768 NE2 GLN A 50 -3.095 -13.480 -4.255 1.00 0.00 N ATOM 0 H GLN A 50 -3.802 -9.402 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.390 -11.805 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.088 -11.420 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.912 -12.932 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.653 -11.447 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.621 -12.332 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.984 -12.580 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.312 -14.314 -4.800 1.00 0.00 H new ATOM 777 N CYS A 51 -5.288 -10.203 0.648 1.00 0.00 N ATOM 778 CA CYS A 51 -6.064 -9.902 1.846 1.00 0.00 C ATOM 779 C CYS A 51 -6.666 -8.502 1.766 1.00 0.00 C ATOM 780 O CYS A 51 -7.427 -8.093 2.642 1.00 0.00 O ATOM 781 CB CYS A 51 -5.185 -10.022 3.092 1.00 0.00 C ATOM 782 SG CYS A 51 -3.739 -8.912 3.092 1.00 0.00 S ATOM 0 H CYS A 51 -4.367 -9.766 0.622 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.877 -10.625 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.791 -9.811 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.839 -11.052 3.182 1.00 0.00 H new ATOM 787 N ASN A 52 -6.317 -7.774 0.711 1.00 0.00 N ATOM 788 CA ASN A 52 -6.822 -6.419 0.518 1.00 0.00 C ATOM 789 C ASN A 52 -6.362 -5.500 1.645 1.00 0.00 C ATOM 790 O ASN A 52 -7.175 -4.843 2.297 1.00 0.00 O ATOM 791 CB ASN A 52 -8.350 -6.428 0.444 1.00 0.00 C ATOM 792 CG ASN A 52 -8.889 -7.661 -0.255 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.117 -8.695 0.374 1.00 0.00 O ATOM 794 ND2 ASN A 52 -9.092 -7.558 -1.563 1.00 0.00 N ATOM 0 H ASN A 52 -5.687 -8.099 -0.023 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.421 -6.040 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.760 -6.377 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.691 -5.537 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.451 -8.356 -2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.889 -6.681 -2.043 1.00 0.00 H new ATOM 801 N ALA A 53 -5.052 -5.459 1.871 1.00 0.00 N ATOM 802 CA ALA A 53 -4.484 -4.620 2.918 1.00 0.00 C ATOM 803 C ALA A 53 -3.722 -3.440 2.322 1.00 0.00 C ATOM 804 O ALA A 53 -2.559 -3.568 1.943 1.00 0.00 O ATOM 805 CB ALA A 53 -3.569 -5.442 3.815 1.00 0.00 C ATOM 0 H ALA A 53 -4.365 -5.997 1.343 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.304 -4.225 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.152 -4.802 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.140 -6.248 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.760 -5.865 3.220 1.00 0.00 H new ATOM 811 N ALA A 54 -4.387 -2.292 2.242 1.00 0.00 N ATOM 812 CA ALA A 54 -3.772 -1.090 1.695 1.00 0.00 C ATOM 813 C ALA A 54 -2.989 -0.337 2.765 1.00 0.00 C ATOM 814 O ALA A 54 -3.502 -0.073 3.852 1.00 0.00 O ATOM 815 CB ALA A 54 -4.833 -0.188 1.081 1.00 0.00 C ATOM 0 H ALA A 54 -5.352 -2.170 2.549 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.072 -1.392 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.360 0.707 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.345 -0.722 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.555 0.098 1.846 1.00 0.00 H new ATOM 821 N ILE A 55 -1.745 0.006 2.450 1.00 0.00 N ATOM 822 CA ILE A 55 -0.892 0.730 3.384 1.00 0.00 C ATOM 823 C ILE A 55 -0.013 1.743 2.658 1.00 0.00 C ATOM 824 O ILE A 55 -0.034 1.829 1.429 1.00 0.00 O ATOM 825 CB ILE A 55 0.008 -0.231 4.185 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.146 -0.751 3.305 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.812 -1.388 4.737 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.195 -1.527 4.070 1.00 0.00 C ATOM 0 H ILE A 55 -1.305 -0.206 1.555 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.554 1.255 4.072 1.00 0.00 H new ATOM 0 HB ILE A 55 0.442 0.315 5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.729 -1.390 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.622 0.092 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.163 -2.058 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.591 -1.001 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.270 -1.935 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.971 -1.865 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.639 -0.886 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.732 -2.390 4.548 1.00 0.00 H new ATOM 840 N HIS A 56 0.758 2.507 3.423 1.00 0.00 N ATOM 841 CA HIS A 56 1.646 3.513 2.852 1.00 0.00 C ATOM 842 C HIS A 56 2.944 2.876 2.363 1.00 0.00 C ATOM 843 O HIS A 56 3.435 1.913 2.950 1.00 0.00 O ATOM 844 CB HIS A 56 1.954 4.597 3.885 1.00 0.00 C ATOM 845 CG HIS A 56 0.734 5.305 4.392 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.171 4.721 5.252 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.274 6.555 4.155 1.00 0.00 C ATOM 848 CE1 HIS A 56 -1.137 5.581 5.522 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.889 6.702 4.870 1.00 0.00 N ATOM 0 H HIS A 56 0.786 2.449 4.441 1.00 0.00 H new ATOM 0 HA HIS A 56 1.141 3.967 2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.479 4.146 4.727 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.631 5.328 3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.735 7.298 3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.985 5.398 6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.468 7.542 4.894 1.00 0.00 H new ATOM 857 N LYS A 57 3.494 3.423 1.284 1.00 0.00 N ATOM 858 CA LYS A 57 4.735 2.910 0.715 1.00 0.00 C ATOM 859 C LYS A 57 5.816 2.792 1.785 1.00 0.00 C ATOM 860 O LYS A 57 6.738 1.985 1.664 1.00 0.00 O ATOM 861 CB LYS A 57 5.219 3.824 -0.414 1.00 0.00 C ATOM 862 CG LYS A 57 6.306 3.206 -1.274 1.00 0.00 C ATOM 863 CD LYS A 57 7.167 4.269 -1.935 1.00 0.00 C ATOM 864 CE LYS A 57 8.255 4.769 -0.996 1.00 0.00 C ATOM 865 NZ LYS A 57 9.315 5.519 -1.724 1.00 0.00 N ATOM 0 H LYS A 57 3.100 4.221 0.786 1.00 0.00 H new ATOM 0 HA LYS A 57 4.537 1.917 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.371 4.085 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.593 4.753 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.933 2.559 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.852 2.577 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.623 3.860 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.540 5.105 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.811 5.413 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.702 3.922 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.037 5.843 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.756 4.898 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.893 6.342 -2.201 1.00 0.00 H new ATOM 879 N LYS A 58 5.696 3.600 2.833 1.00 0.00 N ATOM 880 CA LYS A 58 6.661 3.584 3.926 1.00 0.00 C ATOM 881 C LYS A 58 6.214 2.634 5.032 1.00 0.00 C ATOM 882 O LYS A 58 7.038 2.089 5.767 1.00 0.00 O ATOM 883 CB LYS A 58 6.843 4.995 4.492 1.00 0.00 C ATOM 884 CG LYS A 58 5.610 5.531 5.198 1.00 0.00 C ATOM 885 CD LYS A 58 5.724 7.023 5.462 1.00 0.00 C ATOM 886 CE LYS A 58 4.359 7.653 5.693 1.00 0.00 C ATOM 887 NZ LYS A 58 3.616 7.851 4.418 1.00 0.00 N ATOM 0 H LYS A 58 4.940 4.274 2.948 1.00 0.00 H new ATOM 0 HA LYS A 58 7.614 3.231 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.679 4.992 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.109 5.672 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.727 5.334 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.471 5.003 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.356 7.192 6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.211 7.507 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.774 7.018 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.482 8.613 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.593 7.819 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.865 8.775 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.870 7.098 3.747 1.00 0.00 H new ATOM 901 N CYS A 59 4.905 2.439 5.144 1.00 0.00 N ATOM 902 CA CYS A 59 4.347 1.554 6.161 1.00 0.00 C ATOM 903 C CYS A 59 4.686 0.097 5.857 1.00 0.00 C ATOM 904 O CYS A 59 4.599 -0.766 6.732 1.00 0.00 O ATOM 905 CB CYS A 59 2.829 1.729 6.243 1.00 0.00 C ATOM 906 SG CYS A 59 2.293 3.002 7.431 1.00 0.00 S ATOM 0 H CYS A 59 4.210 2.882 4.543 1.00 0.00 H new ATOM 0 HA CYS A 59 4.789 1.820 7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.449 1.987 5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.378 0.776 6.519 1.00 0.00 H new ATOM 911 N ILE A 60 5.071 -0.169 4.614 1.00 0.00 N ATOM 912 CA ILE A 60 5.424 -1.520 4.196 1.00 0.00 C ATOM 913 C ILE A 60 6.599 -2.057 5.005 1.00 0.00 C ATOM 914 O ILE A 60 6.602 -3.215 5.423 1.00 0.00 O ATOM 915 CB ILE A 60 5.780 -1.571 2.698 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.482 -2.959 2.129 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.244 -1.210 2.490 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.733 -3.068 0.641 1.00 0.00 C ATOM 0 H ILE A 60 5.147 0.533 3.878 1.00 0.00 H new ATOM 0 HA ILE A 60 4.548 -2.144 4.374 1.00 0.00 H new ATOM 0 HB ILE A 60 5.167 -0.842 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.096 -3.695 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.441 -3.211 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.481 -1.250 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.427 -0.203 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.873 -1.918 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.501 -4.079 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.100 -2.356 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.780 -2.848 0.431 1.00 0.00 H new ATOM 930 N ASP A 61 7.596 -1.206 5.227 1.00 0.00 N ATOM 931 CA ASP A 61 8.777 -1.594 5.989 1.00 0.00 C ATOM 932 C ASP A 61 8.466 -1.645 7.482 1.00 0.00 C ATOM 933 O ASP A 61 9.336 -1.954 8.298 1.00 0.00 O ATOM 934 CB ASP A 61 9.922 -0.615 5.727 1.00 0.00 C ATOM 935 CG ASP A 61 10.493 -0.751 4.329 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.527 -1.887 3.811 1.00 0.00 O ATOM 937 OD2 ASP A 61 10.903 0.277 3.754 1.00 0.00 O ATOM 0 H ASP A 61 7.609 -0.243 4.890 1.00 0.00 H new ATOM 0 HA ASP A 61 9.079 -2.590 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.565 0.404 5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.714 -0.783 6.457 1.00 0.00 H new ATOM 942 N LYS A 62 7.222 -1.339 7.833 1.00 0.00 N ATOM 943 CA LYS A 62 6.795 -1.351 9.227 1.00 0.00 C ATOM 944 C LYS A 62 6.045 -2.637 9.557 1.00 0.00 C ATOM 945 O LYS A 62 6.165 -3.173 10.659 1.00 0.00 O ATOM 946 CB LYS A 62 5.906 -0.141 9.520 1.00 0.00 C ATOM 947 CG LYS A 62 6.654 1.181 9.502 1.00 0.00 C ATOM 948 CD LYS A 62 7.477 1.373 10.764 1.00 0.00 C ATOM 949 CE LYS A 62 7.841 2.835 10.976 1.00 0.00 C ATOM 950 NZ LYS A 62 9.112 2.986 11.737 1.00 0.00 N ATOM 0 H LYS A 62 6.491 -1.079 7.171 1.00 0.00 H new ATOM 0 HA LYS A 62 7.686 -1.301 9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.102 -0.104 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.439 -0.272 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.308 1.218 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.943 2.001 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.916 1.008 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.387 0.776 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.936 3.329 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.035 3.336 11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.325 3.996 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.014 2.537 12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.886 2.531 11.213 1.00 0.00 H new ATOM 964 N ILE A 63 5.273 -3.130 8.594 1.00 0.00 N ATOM 965 CA ILE A 63 4.505 -4.354 8.781 1.00 0.00 C ATOM 966 C ILE A 63 5.250 -5.338 9.677 1.00 0.00 C ATOM 967 O ILE A 63 6.471 -5.473 9.588 1.00 0.00 O ATOM 968 CB ILE A 63 4.196 -5.037 7.435 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.381 -4.101 6.539 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.452 -6.344 7.663 1.00 0.00 C ATOM 971 CD1 ILE A 63 3.079 -4.682 5.176 1.00 0.00 C ATOM 0 H ILE A 63 5.163 -2.700 7.676 1.00 0.00 H new ATOM 0 HA ILE A 63 3.567 -4.068 9.258 1.00 0.00 H new ATOM 0 HB ILE A 63 5.137 -5.261 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.443 -3.859 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.926 -3.165 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.241 -6.815 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.066 -7.012 8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.515 -6.143 8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.499 -3.965 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.013 -4.898 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.507 -5.603 5.292 1.00 0.00 H new ATOM 983 N ILE A 64 4.507 -6.023 10.540 1.00 0.00 N ATOM 984 CA ILE A 64 5.098 -6.996 11.451 1.00 0.00 C ATOM 985 C ILE A 64 4.424 -8.357 11.313 1.00 0.00 C ATOM 986 O ILE A 64 5.091 -9.389 11.258 1.00 0.00 O ATOM 987 CB ILE A 64 4.994 -6.531 12.915 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.703 -5.188 13.099 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.585 -7.579 13.847 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.289 -4.452 14.354 1.00 0.00 C ATOM 0 H ILE A 64 3.496 -5.922 10.628 1.00 0.00 H new ATOM 0 HA ILE A 64 6.150 -7.084 11.180 1.00 0.00 H new ATOM 0 HB ILE A 64 3.941 -6.402 13.165 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.780 -5.355 13.124 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.499 -4.557 12.234 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.504 -7.236 14.878 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.040 -8.516 13.733 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.634 -7.737 13.598 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.832 -3.509 14.419 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.218 -4.253 14.322 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.519 -5.063 15.227 1.00 0.00 H new ATOM 1002 N GLY A 65 3.095 -8.351 11.254 1.00 0.00 N ATOM 1003 CA GLY A 65 2.354 -9.590 11.121 1.00 0.00 C ATOM 1004 C GLY A 65 2.586 -10.264 9.783 1.00 0.00 C ATOM 1005 O GLY A 65 3.496 -9.891 9.043 1.00 0.00 O ATOM 0 H GLY A 65 2.520 -7.510 11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.643 -10.270 11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.290 -9.388 11.243 1.00 0.00 H new ATOM 1009 N ARG A 66 1.763 -11.261 9.473 1.00 0.00 N ATOM 1010 CA ARG A 66 1.885 -11.990 8.216 1.00 0.00 C ATOM 1011 C ARG A 66 0.587 -11.918 7.418 1.00 0.00 C ATOM 1012 O ARG A 66 -0.417 -11.384 7.891 1.00 0.00 O ATOM 1013 CB ARG A 66 2.251 -13.451 8.484 1.00 0.00 C ATOM 1014 CG ARG A 66 3.696 -13.649 8.909 1.00 0.00 C ATOM 1015 CD ARG A 66 4.007 -15.115 9.162 1.00 0.00 C ATOM 1016 NE ARG A 66 4.217 -15.852 7.919 1.00 0.00 N ATOM 1017 CZ ARG A 66 4.045 -17.165 7.804 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.662 -17.881 8.853 1.00 0.00 N ATOM 1019 NH2 ARG A 66 4.256 -17.763 6.639 1.00 0.00 N ATOM 0 H ARG A 66 1.005 -11.582 10.075 1.00 0.00 H new ATOM 0 HA ARG A 66 2.678 -11.525 7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.596 -13.844 9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.063 -14.035 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.360 -13.264 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.892 -13.073 9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.898 -15.194 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.187 -15.569 9.718 1.00 0.00 H new ATOM 0 HE ARG A 66 4.512 -15.330 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.499 -17.424 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.531 -18.888 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.550 -17.215 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.124 -18.771 6.552 1.00 0.00 H new ATOM 1033 N CYS A 67 0.615 -12.456 6.203 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.558 -12.453 5.337 1.00 0.00 C ATOM 1035 C CYS A 67 -1.479 -13.624 5.664 1.00 0.00 C ATOM 1036 O CYS A 67 -1.020 -14.734 5.938 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.133 -12.519 3.868 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.467 -12.128 2.690 1.00 0.00 S ATOM 0 H CYS A 67 1.438 -12.900 5.796 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.104 -11.525 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.693 -11.826 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.244 -13.519 3.655 1.00 0.00 H new ATOM 1043 N THR A 68 -2.784 -13.369 5.635 1.00 0.00 N ATOM 1044 CA THR A 68 -3.771 -14.401 5.928 1.00 0.00 C ATOM 1045 C THR A 68 -4.261 -15.073 4.650 1.00 0.00 C ATOM 1046 O THR A 68 -4.467 -16.286 4.614 1.00 0.00 O ATOM 1047 CB THR A 68 -4.979 -13.822 6.687 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.908 -14.866 6.999 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.675 -12.750 5.860 1.00 0.00 C ATOM 0 H THR A 68 -3.181 -12.457 5.412 1.00 0.00 H new ATOM 0 HA THR A 68 -3.277 -15.142 6.557 1.00 0.00 H new ATOM 0 HB THR A 68 -4.616 -13.370 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.673 -14.490 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.525 -12.356 6.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.974 -11.942 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.024 -13.183 4.923 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.446 -14.277 3.602 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.911 -14.813 2.336 1.00 0.00 C ATOM 1059 C GLY A 69 -3.780 -15.366 1.491 1.00 0.00 C ATOM 1060 O GLY A 69 -3.568 -14.928 0.360 1.00 0.00 O ATOM 0 H GLY A 69 -4.282 -13.270 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.639 -15.602 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.426 -14.030 1.780 1.00 0.00 H new ATOM 1064 N THR A 70 -3.050 -16.331 2.040 1.00 0.00 N ATOM 1065 CA THR A 70 -1.933 -16.943 1.331 1.00 0.00 C ATOM 1066 C THR A 70 -2.334 -18.283 0.725 1.00 0.00 C ATOM 1067 O THR A 70 -2.975 -19.104 1.380 1.00 0.00 O ATOM 1068 CB THR A 70 -0.725 -17.156 2.263 1.00 0.00 C ATOM 1069 OG1 THR A 70 0.304 -17.877 1.575 1.00 0.00 O ATOM 1070 CG2 THR A 70 -1.134 -17.918 3.515 1.00 0.00 C ATOM 0 H THR A 70 -3.212 -16.706 2.975 1.00 0.00 H new ATOM 0 HA THR A 70 -1.651 -16.256 0.533 1.00 0.00 H new ATOM 0 HB THR A 70 -0.347 -16.178 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.069 -18.007 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.264 -18.056 4.157 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.896 -17.353 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.535 -18.892 3.234 1.00 0.00 H new ATOM 1078 N ALA A 71 -1.954 -18.496 -0.530 1.00 0.00 N ATOM 1079 CA ALA A 71 -2.271 -19.738 -1.225 1.00 0.00 C ATOM 1080 C ALA A 71 -1.028 -20.601 -1.404 1.00 0.00 C ATOM 1081 O ALA A 71 0.088 -20.167 -1.117 1.00 0.00 O ATOM 1082 CB ALA A 71 -2.908 -19.440 -2.574 1.00 0.00 C ATOM 0 H ALA A 71 -1.426 -17.824 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.982 -20.295 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.139 -20.376 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.826 -18.871 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.216 -18.859 -3.183 1.00 0.00 H new ATOM 1088 N ALA A 72 -1.227 -21.826 -1.879 1.00 0.00 N ATOM 1089 CA ALA A 72 -0.120 -22.750 -2.098 1.00 0.00 C ATOM 1090 C ALA A 72 0.471 -23.223 -0.773 1.00 0.00 C ATOM 1091 O ALA A 72 1.688 -23.319 -0.626 1.00 0.00 O ATOM 1092 CB ALA A 72 0.954 -22.093 -2.953 1.00 0.00 C ATOM 0 H ALA A 72 -2.144 -22.202 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.506 -23.622 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.774 -22.794 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.530 -21.811 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.328 -21.203 -2.447 1.00 0.00 H new ATOM 1098 N ASN A 73 -0.401 -23.514 0.187 1.00 0.00 N ATOM 1099 CA ASN A 73 0.034 -23.976 1.500 1.00 0.00 C ATOM 1100 C ASN A 73 0.984 -25.163 1.372 1.00 0.00 C ATOM 1101 O ASN A 73 0.615 -26.212 0.844 1.00 0.00 O ATOM 1102 CB ASN A 73 -1.173 -24.365 2.354 1.00 0.00 C ATOM 1103 CG ASN A 73 -0.771 -25.018 3.661 1.00 0.00 C ATOM 1104 OD1 ASN A 73 0.389 -24.953 4.070 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -1.730 -25.654 4.326 1.00 0.00 N ATOM 0 H ASN A 73 -1.413 -23.438 0.080 1.00 0.00 H new ATOM 0 HA ASN A 73 0.566 -23.158 1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.768 -23.476 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.808 -25.048 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.518 -26.113 5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.678 -25.683 3.950 1.00 0.00 H new ATOM 1112 N SER A 74 2.208 -24.991 1.859 1.00 0.00 N ATOM 1113 CA SER A 74 3.213 -26.046 1.796 1.00 0.00 C ATOM 1114 C SER A 74 3.945 -26.179 3.128 1.00 0.00 C ATOM 1115 O SER A 74 4.448 -25.197 3.673 1.00 0.00 O ATOM 1116 CB SER A 74 4.215 -25.759 0.676 1.00 0.00 C ATOM 1117 OG SER A 74 5.342 -26.614 0.770 1.00 0.00 O ATOM 0 H SER A 74 2.528 -24.130 2.302 1.00 0.00 H new ATOM 0 HA SER A 74 2.704 -26.987 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.732 -25.893 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.538 -24.719 0.730 1.00 0.00 H new ATOM 0 HG SER A 74 5.967 -26.412 0.043 1.00 0.00 H new ATOM 1123 N ARG A 75 4.000 -27.402 3.646 1.00 0.00 N ATOM 1124 CA ARG A 75 4.669 -27.664 4.914 1.00 0.00 C ATOM 1125 C ARG A 75 6.087 -27.101 4.909 1.00 0.00 C ATOM 1126 O ARG A 75 6.730 -27.024 3.862 1.00 0.00 O ATOM 1127 CB ARG A 75 4.707 -29.169 5.193 1.00 0.00 C ATOM 1128 CG ARG A 75 5.176 -29.517 6.597 1.00 0.00 C ATOM 1129 CD ARG A 75 5.357 -31.017 6.768 1.00 0.00 C ATOM 1130 NE ARG A 75 5.518 -31.391 8.170 1.00 0.00 N ATOM 1131 CZ ARG A 75 5.301 -32.619 8.632 1.00 0.00 C ATOM 1132 NH1 ARG A 75 4.916 -33.582 7.808 1.00 0.00 N ATOM 1133 NH2 ARG A 75 5.469 -32.882 9.922 1.00 0.00 N ATOM 0 H ARG A 75 3.589 -28.226 3.207 1.00 0.00 H new ATOM 0 HA ARG A 75 4.104 -27.168 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.711 -29.584 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.367 -29.647 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.119 -29.010 6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.452 -29.151 7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.494 -31.536 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.230 -31.344 6.203 1.00 0.00 H new ATOM 0 HE ARG A 75 5.813 -30.672 8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.785 -33.383 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.750 -34.523 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.765 -32.142 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.303 -33.824 10.276 1.00 0.00 H new ATOM 1147 N ASP A 76 6.566 -26.708 6.084 1.00 0.00 N ATOM 1148 CA ASP A 76 7.908 -26.152 6.214 1.00 0.00 C ATOM 1149 C ASP A 76 8.942 -27.074 5.577 1.00 0.00 C ATOM 1150 O ASP A 76 8.616 -28.167 5.114 1.00 0.00 O ATOM 1151 CB ASP A 76 8.248 -25.924 7.688 1.00 0.00 C ATOM 1152 CG ASP A 76 7.546 -24.709 8.263 1.00 0.00 C ATOM 1153 OD1 ASP A 76 6.300 -24.657 8.199 1.00 0.00 O ATOM 1154 OD2 ASP A 76 8.244 -23.812 8.779 1.00 0.00 O ATOM 0 H ASP A 76 6.046 -26.764 6.959 1.00 0.00 H new ATOM 0 HA ASP A 76 7.931 -25.195 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.969 -26.807 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.326 -25.802 7.795 1.00 0.00 H new ATOM 1159 N THR A 77 10.194 -26.625 5.555 1.00 0.00 N ATOM 1160 CA THR A 77 11.277 -27.408 4.972 1.00 0.00 C ATOM 1161 C THR A 77 11.205 -28.863 5.419 1.00 0.00 C ATOM 1162 O THR A 77 11.360 -29.168 6.601 1.00 0.00 O ATOM 1163 CB THR A 77 12.654 -26.834 5.355 1.00 0.00 C ATOM 1164 OG1 THR A 77 12.742 -25.462 4.952 1.00 0.00 O ATOM 1165 CG2 THR A 77 13.773 -27.631 4.704 1.00 0.00 C ATOM 0 H THR A 77 10.483 -25.723 5.934 1.00 0.00 H new ATOM 0 HA THR A 77 11.158 -27.356 3.890 1.00 0.00 H new ATOM 0 HB THR A 77 12.763 -26.903 6.437 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.620 -25.104 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.736 -27.207 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.721 -28.668 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.666 -27.590 3.620 1.00 0.00 H new ATOM 1173 N SER A 78 10.968 -29.759 4.465 1.00 0.00 N ATOM 1174 CA SER A 78 10.873 -31.183 4.762 1.00 0.00 C ATOM 1175 C SER A 78 11.649 -32.004 3.737 1.00 0.00 C ATOM 1176 O SER A 78 11.868 -31.564 2.609 1.00 0.00 O ATOM 1177 CB SER A 78 9.407 -31.625 4.781 1.00 0.00 C ATOM 1178 OG SER A 78 8.693 -30.974 5.819 1.00 0.00 O ATOM 0 H SER A 78 10.838 -29.523 3.481 1.00 0.00 H new ATOM 0 HA SER A 78 11.310 -31.354 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.944 -31.401 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.351 -32.705 4.918 1.00 0.00 H new ATOM 0 HG SER A 78 8.654 -30.012 5.636 1.00 0.00 H new ATOM 1184 N GLY A 79 12.062 -33.203 4.138 1.00 0.00 N ATOM 1185 CA GLY A 79 12.809 -34.068 3.243 1.00 0.00 C ATOM 1186 C GLY A 79 12.556 -35.538 3.513 1.00 0.00 C ATOM 1187 O GLY A 79 13.439 -36.269 3.965 1.00 0.00 O ATOM 0 H GLY A 79 11.893 -33.590 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.539 -33.839 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.874 -33.861 3.347 1.00 0.00 H new ATOM 1191 N PRO A 80 11.325 -35.992 3.235 1.00 0.00 N ATOM 1192 CA PRO A 80 10.930 -37.388 3.443 1.00 0.00 C ATOM 1193 C PRO A 80 11.608 -38.336 2.461 1.00 0.00 C ATOM 1194 O PRO A 80 12.265 -37.899 1.515 1.00 0.00 O ATOM 1195 CB PRO A 80 9.418 -37.367 3.210 1.00 0.00 C ATOM 1196 CG PRO A 80 9.188 -36.198 2.315 1.00 0.00 C ATOM 1197 CD PRO A 80 10.224 -35.177 2.694 1.00 0.00 C ATOM 0 HA PRO A 80 11.218 -37.750 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.076 -38.293 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.874 -37.260 4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.286 -36.483 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.182 -35.800 2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.544 -34.590 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.843 -34.474 3.435 1.00 0.00 H new ATOM 1205 N SER A 81 11.444 -39.635 2.689 1.00 0.00 N ATOM 1206 CA SER A 81 12.043 -40.644 1.824 1.00 0.00 C ATOM 1207 C SER A 81 11.521 -40.516 0.396 1.00 0.00 C ATOM 1208 O SER A 81 10.316 -40.401 0.172 1.00 0.00 O ATOM 1209 CB SER A 81 11.750 -42.047 2.362 1.00 0.00 C ATOM 1210 OG SER A 81 12.750 -42.460 3.276 1.00 0.00 O ATOM 0 H SER A 81 10.901 -40.013 3.465 1.00 0.00 H new ATOM 0 HA SER A 81 13.121 -40.484 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.777 -42.056 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.695 -42.754 1.534 1.00 0.00 H new ATOM 0 HG SER A 81 12.540 -43.358 3.607 1.00 0.00 H new ATOM 1216 N SER A 82 12.437 -40.538 -0.567 1.00 0.00 N ATOM 1217 CA SER A 82 12.071 -40.420 -1.974 1.00 0.00 C ATOM 1218 C SER A 82 11.107 -41.531 -2.378 1.00 0.00 C ATOM 1219 O SER A 82 11.035 -42.573 -1.728 1.00 0.00 O ATOM 1220 CB SER A 82 13.321 -40.468 -2.854 1.00 0.00 C ATOM 1221 OG SER A 82 13.113 -39.775 -4.072 1.00 0.00 O ATOM 0 H SER A 82 13.438 -40.636 -0.399 1.00 0.00 H new ATOM 0 HA SER A 82 11.573 -39.461 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.163 -40.027 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.584 -41.505 -3.062 1.00 0.00 H new ATOM 0 HG SER A 82 13.927 -39.819 -4.616 1.00 0.00 H new ATOM 1227 N GLY A 83 10.366 -41.300 -3.458 1.00 0.00 N ATOM 1228 CA GLY A 83 9.416 -42.289 -3.932 1.00 0.00 C ATOM 1229 C GLY A 83 9.340 -42.341 -5.445 1.00 0.00 C ATOM 1230 O GLY A 83 10.381 -42.425 -6.095 1.00 0.00 O ATOM 0 H GLY A 83 10.407 -40.445 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.698 -43.271 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.429 -42.062 -3.529 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.761 -9.809 2.397 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.170 3.658 6.889 1.00 0.00 ZN