USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot -81:sc= -0.41! USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= -0.0741! F(o=-3.2,f=-0.48!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= 0.586 K(o=0.98,f=-3.7!) USER MOD Set 2.2: A 55 THR OG1 : rot 85:sc= 0.399 USER MOD Set 3.1: A 1 SER N :NH3+ 151:sc= 1.16 (180deg=-0.218) USER MOD Set 3.2: A 37 THR OG1 : rot 68:sc= 1.66 USER MOD Set 4.1: A 18 TYR OH : rot 160:sc= 0.836 USER MOD Set 4.2: A 28 GLN : amide:sc= -3.36! C(o=-2.5!,f=-5!) USER MOD Set 5.1: A 7 SER OG : rot -56:sc= 0.898 USER MOD Set 5.2: A 13 ASN : amide:sc= -10.2! C(o=-9.3!,f=-24!) USER MOD Single : A 1 SER OG : rot 130:sc= -0.0789 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.45 K(o=-2.5,f=-5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0365 (180deg=-0.388) USER MOD Single : A 24 SER OG : rot -130:sc= -0.139 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0241 (180deg=-0.323) USER MOD Single : A 32 TYR OH : rot 179:sc= 0.648 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 39 GLN : amide:sc= -0.729 K(o=-0.73,f=-6.6!) USER MOD Single : A 44 TYR OH : rot 105:sc= 0.618 USER MOD Single : A 45 ASN : amide:sc= -0.36 K(o=-0.36,f=-5.1!) USER MOD Single : A 46 GLN : amide:sc= -3.02 X(o=-3,f=-3) USER MOD Single : A 50 SER OG : rot -69:sc= 0.812 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 37:sc= 0.413 USER MOD Single : A 65 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -86:sc= 0.292 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.396 -6.487 1.002 1.00 0.00 N ATOM 2 CA SER A 1 -9.487 -5.385 0.579 1.00 0.00 C ATOM 3 C SER A 1 -8.089 -5.666 1.140 1.00 0.00 C ATOM 4 O SER A 1 -7.956 -6.092 2.273 1.00 0.00 O ATOM 5 CB SER A 1 -10.008 -4.029 1.117 1.00 0.00 C ATOM 6 OG SER A 1 -10.113 -4.204 2.523 1.00 0.00 O ATOM 0 H1 SER A 1 -11.367 -6.124 1.082 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.369 -7.250 0.296 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.087 -6.857 1.924 1.00 0.00 H new ATOM 0 HA SER A 1 -9.450 -5.333 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.323 -3.218 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.973 -3.775 0.678 1.00 0.00 H new ATOM 0 HG SER A 1 -9.664 -3.462 2.979 1.00 0.00 H new ATOM 11 N ALA A 2 -7.090 -5.419 0.330 1.00 0.00 N ATOM 12 CA ALA A 2 -5.682 -5.661 0.772 1.00 0.00 C ATOM 13 C ALA A 2 -4.664 -4.979 -0.148 1.00 0.00 C ATOM 14 O ALA A 2 -4.842 -4.941 -1.351 1.00 0.00 O ATOM 15 CB ALA A 2 -5.406 -7.171 0.777 1.00 0.00 C ATOM 0 H ALA A 2 -7.189 -5.060 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.573 -5.239 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.380 -7.352 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.094 -7.664 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.547 -7.570 -0.227 1.00 0.00 H new ATOM 21 N PHE A 3 -3.626 -4.458 0.461 1.00 0.00 N ATOM 22 CA PHE A 3 -2.548 -3.769 -0.301 1.00 0.00 C ATOM 23 C PHE A 3 -1.487 -4.829 -0.600 1.00 0.00 C ATOM 24 O PHE A 3 -1.216 -5.657 0.242 1.00 0.00 O ATOM 25 CB PHE A 3 -1.977 -2.662 0.574 1.00 0.00 C ATOM 26 CG PHE A 3 -0.922 -1.839 -0.189 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.269 -1.133 -1.329 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.384 -1.780 0.261 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.334 -0.383 -2.005 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.315 -1.029 -0.418 1.00 0.00 C ATOM 31 CZ PHE A 3 0.961 -0.330 -1.548 1.00 0.00 C ATOM 0 H PHE A 3 -3.482 -4.484 1.470 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.907 -3.323 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.782 -2.007 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.528 -3.096 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.286 -1.172 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.674 -2.325 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.617 0.163 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.333 -0.988 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.698 0.258 -2.074 1.00 0.00 H new ATOM 41 N THR A 4 -0.921 -4.782 -1.774 1.00 0.00 N ATOM 42 CA THR A 4 0.129 -5.772 -2.172 1.00 0.00 C ATOM 43 C THR A 4 1.338 -4.993 -2.691 1.00 0.00 C ATOM 44 O THR A 4 1.190 -3.905 -3.213 1.00 0.00 O ATOM 45 CB THR A 4 -0.450 -6.686 -3.265 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.603 -7.265 -2.669 1.00 0.00 O ATOM 47 CG2 THR A 4 0.463 -7.894 -3.542 1.00 0.00 C ATOM 0 H THR A 4 -1.143 -4.089 -2.489 1.00 0.00 H new ATOM 0 HA THR A 4 0.437 -6.391 -1.330 1.00 0.00 H new ATOM 0 HB THR A 4 -0.602 -6.111 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.035 -7.867 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.019 -8.515 -4.320 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.441 -7.543 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.577 -8.481 -2.630 1.00 0.00 H new ATOM 55 N VAL A 5 2.497 -5.578 -2.528 1.00 0.00 N ATOM 56 CA VAL A 5 3.765 -4.928 -2.987 1.00 0.00 C ATOM 57 C VAL A 5 4.783 -5.983 -3.445 1.00 0.00 C ATOM 58 O VAL A 5 4.622 -7.162 -3.193 1.00 0.00 O ATOM 59 CB VAL A 5 4.392 -4.106 -1.821 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.400 -3.098 -1.236 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.825 -5.044 -0.680 1.00 0.00 C ATOM 0 H VAL A 5 2.622 -6.491 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 5 3.524 -4.272 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 5 5.247 -3.574 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.877 -2.546 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.087 -2.402 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.529 -3.627 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.261 -4.457 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.957 -5.587 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.564 -5.753 -1.053 1.00 0.00 H new ATOM 71 N TRP A 6 5.802 -5.502 -4.109 1.00 0.00 N ATOM 72 CA TRP A 6 6.896 -6.348 -4.628 1.00 0.00 C ATOM 73 C TRP A 6 8.135 -5.463 -4.382 1.00 0.00 C ATOM 74 O TRP A 6 8.110 -4.287 -4.697 1.00 0.00 O ATOM 75 CB TRP A 6 6.601 -6.616 -6.115 1.00 0.00 C ATOM 76 CG TRP A 6 5.369 -7.531 -6.256 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.384 -8.901 -6.240 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.078 -7.128 -6.427 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.132 -9.247 -6.398 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.272 -8.261 -6.519 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.501 -5.865 -6.516 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.901 -8.136 -6.702 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.130 -5.739 -6.699 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.329 -6.874 -6.791 1.00 0.00 C ATOM 0 H TRP A 6 5.916 -4.510 -4.317 1.00 0.00 H new ATOM 0 HA TRP A 6 7.026 -7.328 -4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.425 -5.674 -6.634 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.466 -7.083 -6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.239 -9.551 -6.123 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.841 -10.224 -6.426 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.119 -4.983 -6.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.282 -9.018 -6.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.684 -4.758 -6.770 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.263 -6.773 -6.932 1.00 0.00 H new ATOM 95 N SER A 7 9.175 -6.049 -3.832 1.00 0.00 N ATOM 96 CA SER A 7 10.445 -5.300 -3.524 1.00 0.00 C ATOM 97 C SER A 7 10.936 -4.342 -4.621 1.00 0.00 C ATOM 98 O SER A 7 11.504 -3.308 -4.322 1.00 0.00 O ATOM 99 CB SER A 7 11.557 -6.328 -3.211 1.00 0.00 C ATOM 100 OG SER A 7 11.720 -7.094 -4.396 1.00 0.00 O ATOM 0 H SER A 7 9.200 -7.036 -3.577 1.00 0.00 H new ATOM 0 HA SER A 7 10.213 -4.660 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.486 -5.828 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.277 -6.963 -2.370 1.00 0.00 H new ATOM 0 HG SER A 7 10.860 -7.487 -4.652 1.00 0.00 H new ATOM 106 N GLY A 8 10.697 -4.718 -5.849 1.00 0.00 N ATOM 107 CA GLY A 8 11.114 -3.889 -7.019 1.00 0.00 C ATOM 108 C GLY A 8 11.763 -4.758 -8.099 1.00 0.00 C ATOM 109 O GLY A 8 12.310 -5.799 -7.790 1.00 0.00 O ATOM 0 H GLY A 8 10.219 -5.585 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.247 -3.374 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.816 -3.121 -6.694 1.00 0.00 H new ATOM 113 N PRO A 9 11.701 -4.314 -9.335 1.00 0.00 N ATOM 114 CA PRO A 9 11.307 -2.934 -9.747 1.00 0.00 C ATOM 115 C PRO A 9 9.779 -2.787 -9.802 1.00 0.00 C ATOM 116 O PRO A 9 9.205 -1.949 -9.133 1.00 0.00 O ATOM 117 CB PRO A 9 11.979 -2.730 -11.106 1.00 0.00 C ATOM 118 CG PRO A 9 12.405 -4.132 -11.607 1.00 0.00 C ATOM 119 CD PRO A 9 12.024 -5.155 -10.519 1.00 0.00 C ATOM 0 HA PRO A 9 11.627 -2.172 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.293 -2.259 -11.810 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.843 -2.072 -11.015 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.907 -4.370 -12.547 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.478 -4.160 -11.799 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.171 -5.762 -10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.845 -5.841 -10.310 1.00 0.00 H new ATOM 127 N GLY A 10 9.180 -3.623 -10.609 1.00 0.00 N ATOM 128 CA GLY A 10 7.700 -3.612 -10.780 1.00 0.00 C ATOM 129 C GLY A 10 7.003 -4.570 -9.811 1.00 0.00 C ATOM 130 O GLY A 10 7.430 -4.757 -8.688 1.00 0.00 O ATOM 0 H GLY A 10 9.665 -4.326 -11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.325 -2.601 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.451 -3.889 -11.805 1.00 0.00 H new ATOM 134 N CYS A 11 5.939 -5.141 -10.314 1.00 0.00 N ATOM 135 CA CYS A 11 5.100 -6.111 -9.545 1.00 0.00 C ATOM 136 C CYS A 11 5.533 -7.570 -9.795 1.00 0.00 C ATOM 137 O CYS A 11 4.732 -8.433 -10.102 1.00 0.00 O ATOM 138 CB CYS A 11 3.675 -5.916 -9.983 1.00 0.00 C ATOM 139 SG CYS A 11 2.824 -4.346 -9.683 1.00 0.00 S ATOM 0 H CYS A 11 5.605 -4.968 -11.262 1.00 0.00 H new ATOM 0 HA CYS A 11 5.217 -5.926 -8.477 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.641 -6.099 -11.057 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.083 -6.698 -9.507 1.00 0.00 H new ATOM 144 N ASN A 12 6.806 -7.793 -9.650 1.00 0.00 N ATOM 145 CA ASN A 12 7.404 -9.149 -9.855 1.00 0.00 C ATOM 146 C ASN A 12 8.339 -9.337 -8.669 1.00 0.00 C ATOM 147 O ASN A 12 7.874 -9.174 -7.562 1.00 0.00 O ATOM 148 CB ASN A 12 8.126 -9.125 -11.229 1.00 0.00 C ATOM 149 CG ASN A 12 8.941 -7.831 -11.363 1.00 0.00 C ATOM 150 OD1 ASN A 12 10.149 -7.818 -11.237 1.00 0.00 O ATOM 151 ND2 ASN A 12 8.290 -6.726 -11.619 1.00 0.00 N ATOM 0 H ASN A 12 7.481 -7.074 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 12 6.698 -9.979 -9.887 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.782 -9.991 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.396 -9.191 -12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.797 -5.846 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.276 -6.744 -11.724 1.00 0.00 H new ATOM 158 N ASN A 13 9.592 -9.665 -8.878 1.00 0.00 N ATOM 159 CA ASN A 13 10.550 -9.851 -7.732 1.00 0.00 C ATOM 160 C ASN A 13 9.912 -10.527 -6.487 1.00 0.00 C ATOM 161 O ASN A 13 9.105 -11.424 -6.636 1.00 0.00 O ATOM 162 CB ASN A 13 11.107 -8.427 -7.430 1.00 0.00 C ATOM 163 CG ASN A 13 9.963 -7.505 -6.969 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.555 -7.578 -5.831 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.402 -6.639 -7.775 1.00 0.00 N ATOM 0 H ASN A 13 9.999 -9.814 -9.801 1.00 0.00 H new ATOM 0 HA ASN A 13 11.346 -10.546 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.874 -8.483 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.581 -8.016 -8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.642 -6.048 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.725 -6.556 -8.739 1.00 0.00 H new ATOM 172 N ARG A 14 10.286 -10.090 -5.306 1.00 0.00 N ATOM 173 CA ARG A 14 9.715 -10.677 -4.050 1.00 0.00 C ATOM 174 C ARG A 14 8.243 -10.230 -3.977 1.00 0.00 C ATOM 175 O ARG A 14 7.909 -9.208 -4.538 1.00 0.00 O ATOM 176 CB ARG A 14 10.512 -10.139 -2.844 1.00 0.00 C ATOM 177 CG ARG A 14 9.884 -10.639 -1.522 1.00 0.00 C ATOM 178 CD ARG A 14 10.748 -10.213 -0.326 1.00 0.00 C ATOM 179 NE ARG A 14 10.837 -8.719 -0.301 1.00 0.00 N ATOM 180 CZ ARG A 14 11.649 -8.103 0.523 1.00 0.00 C ATOM 181 NH1 ARG A 14 12.400 -8.784 1.348 1.00 0.00 N ATOM 182 NH2 ARG A 14 11.685 -6.801 0.491 1.00 0.00 N ATOM 0 H ARG A 14 10.968 -9.346 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 14 9.776 -11.765 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.549 -10.467 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.521 -9.049 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.877 -10.235 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.791 -11.725 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.313 -10.580 0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.744 -10.649 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 14 10.256 -8.171 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.357 -9.803 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.029 -8.296 1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.092 -6.290 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.307 -6.292 1.120 1.00 0.00 H new ATOM 196 N ALA A 15 7.414 -10.986 -3.300 1.00 0.00 N ATOM 197 CA ALA A 15 5.965 -10.617 -3.186 1.00 0.00 C ATOM 198 C ALA A 15 5.488 -10.590 -1.727 1.00 0.00 C ATOM 199 O ALA A 15 5.404 -11.618 -1.082 1.00 0.00 O ATOM 200 CB ALA A 15 5.141 -11.635 -3.991 1.00 0.00 C ATOM 0 H ALA A 15 7.678 -11.846 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 15 5.830 -9.611 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.083 -11.384 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.451 -11.610 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.304 -12.635 -3.588 1.00 0.00 H new ATOM 206 N GLU A 16 5.191 -9.401 -1.262 1.00 0.00 N ATOM 207 CA GLU A 16 4.705 -9.193 0.142 1.00 0.00 C ATOM 208 C GLU A 16 3.280 -8.609 0.073 1.00 0.00 C ATOM 209 O GLU A 16 2.848 -8.177 -0.979 1.00 0.00 O ATOM 210 CB GLU A 16 5.651 -8.212 0.873 1.00 0.00 C ATOM 211 CG GLU A 16 7.124 -8.696 0.811 1.00 0.00 C ATOM 212 CD GLU A 16 7.268 -10.104 1.418 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.079 -10.201 2.619 1.00 0.00 O ATOM 214 OE2 GLU A 16 7.559 -11.006 0.649 1.00 0.00 O ATOM 0 H GLU A 16 5.267 -8.544 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 16 4.693 -10.135 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.572 -7.223 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.342 -8.113 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.464 -8.706 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.763 -7.997 1.350 1.00 0.00 H new ATOM 221 N ARG A 17 2.591 -8.610 1.190 1.00 0.00 N ATOM 222 CA ARG A 17 1.192 -8.063 1.226 1.00 0.00 C ATOM 223 C ARG A 17 0.857 -7.520 2.631 1.00 0.00 C ATOM 224 O ARG A 17 1.460 -7.913 3.612 1.00 0.00 O ATOM 225 CB ARG A 17 0.229 -9.216 0.817 1.00 0.00 C ATOM 226 CG ARG A 17 -1.226 -8.712 0.648 1.00 0.00 C ATOM 227 CD ARG A 17 -2.131 -9.844 0.127 1.00 0.00 C ATOM 228 NE ARG A 17 -1.683 -10.200 -1.257 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.356 -11.036 -2.007 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.454 -11.594 -1.569 1.00 0.00 N ATOM 231 NH2 ARG A 17 -1.896 -11.289 -3.200 1.00 0.00 N ATOM 0 H ARG A 17 2.936 -8.966 2.081 1.00 0.00 H new ATOM 0 HA ARG A 17 1.086 -7.228 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.571 -9.662 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.257 -10.000 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.604 -8.346 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.248 -7.872 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.069 -10.713 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.173 -9.525 0.119 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.830 -9.780 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.796 -11.380 -0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.968 -12.243 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.038 -10.841 -3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.394 -11.935 -3.812 1.00 0.00 H new ATOM 245 N TYR A 18 -0.101 -6.627 2.667 1.00 0.00 N ATOM 246 CA TYR A 18 -0.566 -5.985 3.935 1.00 0.00 C ATOM 247 C TYR A 18 -2.091 -5.832 3.806 1.00 0.00 C ATOM 248 O TYR A 18 -2.572 -4.854 3.264 1.00 0.00 O ATOM 249 CB TYR A 18 0.084 -4.591 4.100 1.00 0.00 C ATOM 250 CG TYR A 18 1.617 -4.673 4.080 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.330 -4.918 5.237 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.306 -4.494 2.896 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.709 -4.982 5.210 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.681 -4.558 2.871 1.00 0.00 C ATOM 255 CZ TYR A 18 4.394 -4.801 4.025 1.00 0.00 C ATOM 256 OH TYR A 18 5.773 -4.858 3.993 1.00 0.00 O ATOM 0 H TYR A 18 -0.598 -6.305 1.836 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.292 -6.586 4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.256 -3.934 3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.244 -4.145 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.805 -5.061 6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.762 -4.302 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.255 -5.175 6.122 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.206 -4.416 1.938 1.00 0.00 H new ATOM 0 HH TYR A 18 6.072 -5.030 3.076 1.00 0.00 H new ATOM 266 N SER A 19 -2.806 -6.806 4.309 1.00 0.00 N ATOM 267 CA SER A 19 -4.302 -6.773 4.241 1.00 0.00 C ATOM 268 C SER A 19 -4.950 -6.314 5.557 1.00 0.00 C ATOM 269 O SER A 19 -6.136 -6.041 5.589 1.00 0.00 O ATOM 270 CB SER A 19 -4.800 -8.178 3.878 1.00 0.00 C ATOM 271 OG SER A 19 -4.410 -9.003 4.966 1.00 0.00 O ATOM 0 H SER A 19 -2.416 -7.630 4.768 1.00 0.00 H new ATOM 0 HA SER A 19 -4.590 -6.044 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.881 -8.190 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.358 -8.523 2.943 1.00 0.00 H new ATOM 0 HG SER A 19 -4.701 -9.924 4.799 1.00 0.00 H new ATOM 277 N LYS A 20 -4.156 -6.244 6.598 1.00 0.00 N ATOM 278 CA LYS A 20 -4.659 -5.814 7.935 1.00 0.00 C ATOM 279 C LYS A 20 -5.336 -4.437 7.866 1.00 0.00 C ATOM 280 O LYS A 20 -4.766 -3.489 7.357 1.00 0.00 O ATOM 281 CB LYS A 20 -3.462 -5.784 8.896 1.00 0.00 C ATOM 282 CG LYS A 20 -2.916 -7.219 9.078 1.00 0.00 C ATOM 283 CD LYS A 20 -1.724 -7.200 10.058 1.00 0.00 C ATOM 284 CE LYS A 20 -1.211 -8.637 10.281 1.00 0.00 C ATOM 285 NZ LYS A 20 -0.756 -9.233 8.994 1.00 0.00 N ATOM 0 H LYS A 20 -3.162 -6.472 6.574 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.415 -6.516 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.681 -5.133 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.765 -5.373 9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.702 -7.872 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.602 -7.624 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.924 -6.576 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.029 -6.761 11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.388 -8.629 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.003 -9.249 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.174 -10.073 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.583 -9.508 8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.193 -8.535 8.468 1.00 0.00 H new ATOM 299 N CYS A 21 -6.538 -4.381 8.385 1.00 0.00 N ATOM 300 CA CYS A 21 -7.320 -3.107 8.388 1.00 0.00 C ATOM 301 C CYS A 21 -6.687 -2.094 9.358 1.00 0.00 C ATOM 302 O CYS A 21 -5.836 -2.447 10.154 1.00 0.00 O ATOM 303 CB CYS A 21 -8.768 -3.419 8.811 1.00 0.00 C ATOM 304 SG CYS A 21 -9.198 -3.348 10.569 1.00 0.00 S ATOM 0 H CYS A 21 -7.016 -5.175 8.812 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.314 -2.669 7.390 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.423 -2.726 8.283 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.008 -4.420 8.453 1.00 0.00 H new ATOM 309 N GLY A 22 -7.122 -0.864 9.258 1.00 0.00 N ATOM 310 CA GLY A 22 -6.588 0.217 10.143 1.00 0.00 C ATOM 311 C GLY A 22 -5.401 0.852 9.423 1.00 0.00 C ATOM 312 O GLY A 22 -5.561 1.861 8.764 1.00 0.00 O ATOM 0 H GLY A 22 -7.833 -0.558 8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.357 0.962 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.279 -0.192 11.105 1.00 0.00 H new ATOM 316 N CYS A 23 -4.251 0.238 9.575 1.00 0.00 N ATOM 317 CA CYS A 23 -3.005 0.750 8.920 1.00 0.00 C ATOM 318 C CYS A 23 -1.833 -0.215 9.135 1.00 0.00 C ATOM 319 O CYS A 23 -1.837 -1.000 10.064 1.00 0.00 O ATOM 320 CB CYS A 23 -2.622 2.126 9.501 1.00 0.00 C ATOM 321 SG CYS A 23 -2.118 2.194 11.236 1.00 0.00 S ATOM 0 H CYS A 23 -4.122 -0.607 10.132 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.207 0.838 7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.808 2.529 8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.474 2.793 9.373 1.00 0.00 H new ATOM 326 N SER A 24 -0.862 -0.124 8.258 1.00 0.00 N ATOM 327 CA SER A 24 0.345 -1.006 8.345 1.00 0.00 C ATOM 328 C SER A 24 1.525 -0.415 7.556 1.00 0.00 C ATOM 329 O SER A 24 1.330 0.216 6.538 1.00 0.00 O ATOM 330 CB SER A 24 -0.009 -2.399 7.782 1.00 0.00 C ATOM 331 OG SER A 24 -0.421 -2.156 6.443 1.00 0.00 O ATOM 0 H SER A 24 -0.855 0.532 7.477 1.00 0.00 H new ATOM 0 HA SER A 24 0.644 -1.085 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.850 -3.069 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.804 -2.869 8.361 1.00 0.00 H new ATOM 0 HG SER A 24 -1.278 -2.602 6.278 1.00 0.00 H new ATOM 337 N ALA A 25 2.715 -0.650 8.052 1.00 0.00 N ATOM 338 CA ALA A 25 3.949 -0.134 7.380 1.00 0.00 C ATOM 339 C ALA A 25 4.297 -1.029 6.185 1.00 0.00 C ATOM 340 O ALA A 25 3.814 -2.138 6.063 1.00 0.00 O ATOM 341 CB ALA A 25 5.101 -0.134 8.390 1.00 0.00 C ATOM 0 H ALA A 25 2.886 -1.184 8.904 1.00 0.00 H new ATOM 0 HA ALA A 25 3.780 0.881 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.005 0.240 7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.845 0.507 9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.273 -1.150 8.746 1.00 0.00 H new ATOM 347 N ILE A 26 5.138 -0.491 5.342 1.00 0.00 N ATOM 348 CA ILE A 26 5.602 -1.195 4.106 1.00 0.00 C ATOM 349 C ILE A 26 7.124 -1.028 3.987 1.00 0.00 C ATOM 350 O ILE A 26 7.674 -0.049 4.458 1.00 0.00 O ATOM 351 CB ILE A 26 4.868 -0.557 2.888 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.326 -0.709 3.054 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.306 -1.269 1.582 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.639 0.419 2.283 1.00 0.00 C ATOM 0 H ILE A 26 5.537 0.440 5.463 1.00 0.00 H new ATOM 0 HA ILE A 26 5.376 -2.261 4.141 1.00 0.00 H new ATOM 0 HB ILE A 26 5.127 0.501 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.999 -1.678 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.053 -0.667 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.791 -0.820 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.383 -1.160 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.053 -2.327 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.558 0.327 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.962 1.381 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.907 0.354 1.228 1.00 0.00 H new ATOM 366 N HIS A 27 7.749 -1.993 3.359 1.00 0.00 N ATOM 367 CA HIS A 27 9.235 -1.965 3.167 1.00 0.00 C ATOM 368 C HIS A 27 9.601 -2.104 1.683 1.00 0.00 C ATOM 369 O HIS A 27 10.672 -1.699 1.277 1.00 0.00 O ATOM 370 CB HIS A 27 9.865 -3.124 3.975 1.00 0.00 C ATOM 371 CG HIS A 27 10.795 -2.538 5.040 1.00 0.00 C ATOM 372 ND1 HIS A 27 12.069 -2.380 4.901 1.00 0.00 N ATOM 373 CD2 HIS A 27 10.527 -2.068 6.315 1.00 0.00 C ATOM 374 CE1 HIS A 27 12.563 -1.860 5.978 1.00 0.00 C ATOM 375 NE2 HIS A 27 11.641 -1.650 6.885 1.00 0.00 N ATOM 0 H HIS A 27 7.286 -2.812 2.965 1.00 0.00 H new ATOM 0 HA HIS A 27 9.620 -1.008 3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.085 -3.724 4.444 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.421 -3.787 3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.550 -2.047 6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.609 -1.627 6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.758 -1.254 7.818 1.00 0.00 H new ATOM 383 N GLN A 28 8.700 -2.674 0.924 1.00 0.00 N ATOM 384 CA GLN A 28 8.936 -2.868 -0.539 1.00 0.00 C ATOM 385 C GLN A 28 8.602 -1.592 -1.318 1.00 0.00 C ATOM 386 O GLN A 28 7.459 -1.325 -1.639 1.00 0.00 O ATOM 387 CB GLN A 28 8.060 -4.026 -1.041 1.00 0.00 C ATOM 388 CG GLN A 28 8.519 -5.366 -0.435 1.00 0.00 C ATOM 389 CD GLN A 28 8.252 -5.421 1.078 1.00 0.00 C ATOM 390 OE1 GLN A 28 7.128 -5.337 1.533 1.00 0.00 O ATOM 391 NE2 GLN A 28 9.260 -5.561 1.894 1.00 0.00 N ATOM 0 H GLN A 28 7.800 -3.017 1.260 1.00 0.00 H new ATOM 0 HA GLN A 28 9.989 -3.101 -0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.019 -3.841 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.108 -4.079 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.998 -6.187 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.584 -5.506 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.208 -5.633 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.100 -5.599 2.901 1.00 0.00 H new ATOM 400 N LYS A 29 9.637 -0.842 -1.591 1.00 0.00 N ATOM 401 CA LYS A 29 9.498 0.434 -2.342 1.00 0.00 C ATOM 402 C LYS A 29 9.454 0.215 -3.869 1.00 0.00 C ATOM 403 O LYS A 29 9.573 1.159 -4.628 1.00 0.00 O ATOM 404 CB LYS A 29 10.691 1.350 -1.963 1.00 0.00 C ATOM 405 CG LYS A 29 12.080 0.905 -2.546 1.00 0.00 C ATOM 406 CD LYS A 29 12.675 -0.372 -1.892 1.00 0.00 C ATOM 407 CE LYS A 29 12.907 -0.162 -0.381 1.00 0.00 C ATOM 408 NZ LYS A 29 13.831 0.987 -0.156 1.00 0.00 N ATOM 0 H LYS A 29 10.593 -1.068 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 29 8.551 0.899 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.477 2.362 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.766 1.392 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.972 0.732 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.789 1.724 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.999 -1.213 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.617 -0.628 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.956 0.024 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.326 -1.067 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.167 0.975 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.644 0.910 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.327 1.878 -0.339 1.00 0.00 H new ATOM 422 N GLY A 30 9.277 -1.020 -4.275 1.00 0.00 N ATOM 423 CA GLY A 30 9.222 -1.352 -5.725 1.00 0.00 C ATOM 424 C GLY A 30 7.845 -1.090 -6.326 1.00 0.00 C ATOM 425 O GLY A 30 7.417 0.042 -6.421 1.00 0.00 O ATOM 0 H GLY A 30 9.167 -1.819 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.967 -0.763 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.484 -2.401 -5.866 1.00 0.00 H new ATOM 429 N GLY A 31 7.208 -2.167 -6.707 1.00 0.00 N ATOM 430 CA GLY A 31 5.844 -2.097 -7.323 1.00 0.00 C ATOM 431 C GLY A 31 4.765 -2.416 -6.291 1.00 0.00 C ATOM 432 O GLY A 31 5.063 -3.026 -5.283 1.00 0.00 O ATOM 0 H GLY A 31 7.581 -3.112 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.677 -1.102 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.779 -2.800 -8.153 1.00 0.00 H new ATOM 436 N TYR A 32 3.544 -2.000 -6.553 1.00 0.00 N ATOM 437 CA TYR A 32 2.439 -2.283 -5.576 1.00 0.00 C ATOM 438 C TYR A 32 0.986 -2.190 -6.080 1.00 0.00 C ATOM 439 O TYR A 32 0.573 -1.242 -6.719 1.00 0.00 O ATOM 440 CB TYR A 32 2.620 -1.333 -4.374 1.00 0.00 C ATOM 441 CG TYR A 32 2.833 0.104 -4.864 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.775 0.956 -5.096 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.117 0.553 -5.087 1.00 0.00 C ATOM 444 CE1 TYR A 32 2.001 2.238 -5.546 1.00 0.00 C ATOM 445 CE2 TYR A 32 4.341 1.829 -5.534 1.00 0.00 C ATOM 446 CZ TYR A 32 3.287 2.685 -5.770 1.00 0.00 C ATOM 447 OH TYR A 32 3.521 3.967 -6.224 1.00 0.00 O ATOM 0 H TYR A 32 3.268 -1.484 -7.389 1.00 0.00 H new ATOM 0 HA TYR A 32 2.549 -3.340 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.742 -1.379 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.473 -1.651 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.764 0.617 -4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.953 -0.106 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.165 2.898 -5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.353 2.167 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 32 4.486 4.113 -6.309 1.00 0.00 H new ATOM 457 N ASP A 33 0.245 -3.217 -5.755 1.00 0.00 N ATOM 458 CA ASP A 33 -1.191 -3.307 -6.147 1.00 0.00 C ATOM 459 C ASP A 33 -2.046 -3.013 -4.904 1.00 0.00 C ATOM 460 O ASP A 33 -1.534 -2.842 -3.817 1.00 0.00 O ATOM 461 CB ASP A 33 -1.470 -4.737 -6.680 1.00 0.00 C ATOM 462 CG ASP A 33 -2.985 -5.046 -6.779 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.636 -4.431 -7.608 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.415 -5.886 -6.005 1.00 0.00 O ATOM 0 H ASP A 33 0.585 -4.016 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.435 -2.587 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.014 -4.851 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.996 -5.466 -6.023 1.00 0.00 H new ATOM 469 N PHE A 34 -3.332 -2.953 -5.119 1.00 0.00 N ATOM 470 CA PHE A 34 -4.314 -2.693 -4.037 1.00 0.00 C ATOM 471 C PHE A 34 -5.598 -3.436 -4.421 1.00 0.00 C ATOM 472 O PHE A 34 -5.819 -3.742 -5.577 1.00 0.00 O ATOM 473 CB PHE A 34 -4.594 -1.180 -3.922 1.00 0.00 C ATOM 474 CG PHE A 34 -5.672 -0.978 -2.838 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.402 -1.281 -1.515 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.927 -0.503 -3.174 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.369 -1.114 -0.549 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.894 -0.335 -2.205 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.617 -0.641 -0.891 1.00 0.00 C ATOM 0 H PHE A 34 -3.754 -3.079 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.933 -3.034 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.683 -0.642 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.935 -0.781 -4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.426 -1.651 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.151 -0.262 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.148 -1.355 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.871 0.037 -2.477 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.375 -0.511 -0.132 1.00 0.00 H new ATOM 489 N SER A 35 -6.398 -3.704 -3.421 1.00 0.00 N ATOM 490 CA SER A 35 -7.693 -4.419 -3.617 1.00 0.00 C ATOM 491 C SER A 35 -8.716 -3.734 -2.720 1.00 0.00 C ATOM 492 O SER A 35 -8.423 -3.382 -1.593 1.00 0.00 O ATOM 493 CB SER A 35 -7.520 -5.895 -3.225 1.00 0.00 C ATOM 494 OG SER A 35 -6.512 -6.367 -4.108 1.00 0.00 O ATOM 0 H SER A 35 -6.201 -3.450 -2.453 1.00 0.00 H new ATOM 0 HA SER A 35 -8.022 -4.385 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.219 -5.999 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.449 -6.452 -3.345 1.00 0.00 H new ATOM 0 HG SER A 35 -6.334 -7.313 -3.925 1.00 0.00 H new ATOM 500 N TYR A 36 -9.890 -3.578 -3.270 1.00 0.00 N ATOM 501 CA TYR A 36 -11.018 -2.918 -2.552 1.00 0.00 C ATOM 502 C TYR A 36 -12.262 -3.812 -2.427 1.00 0.00 C ATOM 503 O TYR A 36 -12.632 -4.500 -3.357 1.00 0.00 O ATOM 504 CB TYR A 36 -11.320 -1.651 -3.333 1.00 0.00 C ATOM 505 CG TYR A 36 -12.509 -0.884 -2.742 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.307 0.043 -1.742 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.793 -1.106 -3.203 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.372 0.736 -1.212 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.857 -0.411 -2.669 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.652 0.516 -1.668 1.00 0.00 C ATOM 511 OH TYR A 36 -15.711 1.217 -1.129 1.00 0.00 O ATOM 0 H TYR A 36 -10.120 -3.890 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.734 -2.704 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.439 -1.009 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.533 -1.907 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.309 0.226 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.964 -1.829 -3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.201 1.461 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.856 -0.593 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.543 0.940 -1.566 1.00 0.00 H new ATOM 521 N THR A 37 -12.859 -3.752 -1.263 1.00 0.00 N ATOM 522 CA THR A 37 -14.090 -4.546 -0.947 1.00 0.00 C ATOM 523 C THR A 37 -14.852 -3.741 0.120 1.00 0.00 C ATOM 524 O THR A 37 -14.989 -4.155 1.257 1.00 0.00 O ATOM 525 CB THR A 37 -13.702 -5.954 -0.390 1.00 0.00 C ATOM 526 OG1 THR A 37 -12.873 -5.694 0.734 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.816 -6.766 -1.351 1.00 0.00 C ATOM 0 H THR A 37 -12.534 -3.167 -0.493 1.00 0.00 H new ATOM 0 HA THR A 37 -14.699 -4.707 -1.836 1.00 0.00 H new ATOM 0 HB THR A 37 -14.618 -6.513 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.407 -5.283 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.584 -7.732 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.345 -6.920 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.891 -6.222 -1.540 1.00 0.00 H new ATOM 535 N GLY A 38 -15.334 -2.594 -0.288 1.00 0.00 N ATOM 536 CA GLY A 38 -16.088 -1.710 0.638 1.00 0.00 C ATOM 537 C GLY A 38 -15.166 -1.239 1.769 1.00 0.00 C ATOM 538 O GLY A 38 -15.587 -1.105 2.901 1.00 0.00 O ATOM 0 H GLY A 38 -15.233 -2.232 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.482 -0.851 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.943 -2.245 1.052 1.00 0.00 H new ATOM 542 N GLN A 39 -13.926 -1.006 1.407 1.00 0.00 N ATOM 543 CA GLN A 39 -12.914 -0.543 2.403 1.00 0.00 C ATOM 544 C GLN A 39 -11.831 0.252 1.652 1.00 0.00 C ATOM 545 O GLN A 39 -10.937 -0.316 1.054 1.00 0.00 O ATOM 546 CB GLN A 39 -12.323 -1.800 3.099 1.00 0.00 C ATOM 547 CG GLN A 39 -12.098 -1.527 4.593 1.00 0.00 C ATOM 548 CD GLN A 39 -13.449 -1.355 5.286 1.00 0.00 C ATOM 549 OE1 GLN A 39 -13.817 -0.299 5.760 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.212 -2.403 5.356 1.00 0.00 N ATOM 0 H GLN A 39 -13.572 -1.118 0.457 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.351 0.105 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.001 -2.645 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.380 -2.076 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.547 -2.351 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.493 -0.630 4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.900 -3.288 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.123 -2.341 5.810 1.00 0.00 H new ATOM 559 N THR A 40 -11.952 1.556 1.709 1.00 0.00 N ATOM 560 CA THR A 40 -10.982 2.460 1.027 1.00 0.00 C ATOM 561 C THR A 40 -9.629 2.468 1.746 1.00 0.00 C ATOM 562 O THR A 40 -9.550 2.148 2.917 1.00 0.00 O ATOM 563 CB THR A 40 -11.552 3.895 1.006 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.676 4.291 2.365 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.987 3.974 0.450 1.00 0.00 C ATOM 0 H THR A 40 -12.698 2.038 2.210 1.00 0.00 H new ATOM 0 HA THR A 40 -10.830 2.095 0.011 1.00 0.00 H new ATOM 0 HB THR A 40 -10.893 4.504 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.502 3.920 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.326 5.010 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.001 3.601 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.650 3.367 1.067 1.00 0.00 H new ATOM 573 N ALA A 41 -8.617 2.836 1.005 1.00 0.00 N ATOM 574 CA ALA A 41 -7.232 2.898 1.559 1.00 0.00 C ATOM 575 C ALA A 41 -6.643 4.294 1.360 1.00 0.00 C ATOM 576 O ALA A 41 -7.165 5.099 0.615 1.00 0.00 O ATOM 577 CB ALA A 41 -6.359 1.867 0.852 1.00 0.00 C ATOM 0 H ALA A 41 -8.693 3.101 0.023 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.266 2.681 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.347 1.910 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.771 0.871 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.334 2.082 -0.216 1.00 0.00 H new ATOM 583 N ALA A 42 -5.561 4.508 2.057 1.00 0.00 N ATOM 584 CA ALA A 42 -4.821 5.802 2.017 1.00 0.00 C ATOM 585 C ALA A 42 -3.333 5.501 2.142 1.00 0.00 C ATOM 586 O ALA A 42 -2.965 4.509 2.733 1.00 0.00 O ATOM 587 CB ALA A 42 -5.272 6.671 3.185 1.00 0.00 C ATOM 0 H ALA A 42 -5.144 3.812 2.676 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.018 6.330 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.735 7.619 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.343 6.859 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.061 6.157 4.123 1.00 0.00 H new ATOM 593 N LEU A 43 -2.522 6.363 1.588 1.00 0.00 N ATOM 594 CA LEU A 43 -1.047 6.158 1.654 1.00 0.00 C ATOM 595 C LEU A 43 -0.406 7.243 2.511 1.00 0.00 C ATOM 596 O LEU A 43 -0.158 8.353 2.079 1.00 0.00 O ATOM 597 CB LEU A 43 -0.487 6.178 0.218 1.00 0.00 C ATOM 598 CG LEU A 43 -0.952 4.917 -0.567 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.434 4.976 -2.002 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.380 3.631 0.073 1.00 0.00 C ATOM 0 H LEU A 43 -2.820 7.203 1.091 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.818 5.197 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.823 7.078 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.602 6.215 0.247 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.042 4.899 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.764 4.090 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.823 5.868 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.655 5.012 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.718 2.762 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.709 3.671 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.728 3.552 1.103 1.00 0.00 H new ATOM 612 N TYR A 44 -0.172 6.839 3.732 1.00 0.00 N ATOM 613 CA TYR A 44 0.453 7.727 4.747 1.00 0.00 C ATOM 614 C TYR A 44 1.946 7.841 4.443 1.00 0.00 C ATOM 615 O TYR A 44 2.677 6.867 4.516 1.00 0.00 O ATOM 616 CB TYR A 44 0.205 7.114 6.139 1.00 0.00 C ATOM 617 CG TYR A 44 -1.236 7.363 6.645 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.287 7.728 5.814 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.488 7.225 7.997 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.548 7.946 6.332 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.748 7.443 8.512 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.787 7.806 7.682 1.00 0.00 C ATOM 623 OH TYR A 44 -5.049 8.022 8.196 1.00 0.00 O ATOM 0 H TYR A 44 -0.396 5.904 4.073 1.00 0.00 H new ATOM 0 HA TYR A 44 0.023 8.728 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.393 6.041 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.915 7.536 6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.117 7.842 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.685 6.942 8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.355 8.229 5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.922 7.329 9.572 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.467 7.162 8.409 1.00 0.00 H new ATOM 633 N ASN A 45 2.332 9.047 4.107 1.00 0.00 N ATOM 634 CA ASN A 45 3.755 9.351 3.773 1.00 0.00 C ATOM 635 C ASN A 45 4.678 8.772 4.845 1.00 0.00 C ATOM 636 O ASN A 45 5.449 7.879 4.560 1.00 0.00 O ATOM 637 CB ASN A 45 3.913 10.878 3.674 1.00 0.00 C ATOM 638 CG ASN A 45 3.013 11.386 2.545 1.00 0.00 C ATOM 639 OD1 ASN A 45 1.870 11.737 2.754 1.00 0.00 O ATOM 640 ND2 ASN A 45 3.493 11.440 1.335 1.00 0.00 N ATOM 0 H ASN A 45 1.705 9.850 4.050 1.00 0.00 H new ATOM 0 HA ASN A 45 4.028 8.897 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.639 11.349 4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.953 11.139 3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.909 11.776 0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.453 11.146 1.154 1.00 0.00 H new ATOM 647 N GLN A 46 4.563 9.295 6.035 1.00 0.00 N ATOM 648 CA GLN A 46 5.394 8.828 7.184 1.00 0.00 C ATOM 649 C GLN A 46 5.059 7.390 7.592 1.00 0.00 C ATOM 650 O GLN A 46 3.974 6.898 7.347 1.00 0.00 O ATOM 651 CB GLN A 46 5.161 9.737 8.397 1.00 0.00 C ATOM 652 CG GLN A 46 5.808 11.104 8.202 1.00 0.00 C ATOM 653 CD GLN A 46 5.184 11.890 7.040 1.00 0.00 C ATOM 654 OE1 GLN A 46 5.716 11.932 5.949 1.00 0.00 O ATOM 655 NE2 GLN A 46 4.062 12.524 7.233 1.00 0.00 N ATOM 0 H GLN A 46 3.912 10.045 6.265 1.00 0.00 H new ATOM 0 HA GLN A 46 6.434 8.865 6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.090 9.860 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.568 9.265 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.711 11.682 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.874 10.975 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.609 12.493 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.636 13.051 6.470 1.00 0.00 H new ATOM 664 N ALA A 47 6.035 6.776 8.210 1.00 0.00 N ATOM 665 CA ALA A 47 5.893 5.371 8.688 1.00 0.00 C ATOM 666 C ALA A 47 5.128 5.384 10.016 1.00 0.00 C ATOM 667 O ALA A 47 4.755 6.430 10.513 1.00 0.00 O ATOM 668 CB ALA A 47 7.291 4.768 8.892 1.00 0.00 C ATOM 0 H ALA A 47 6.942 7.200 8.406 1.00 0.00 H new ATOM 0 HA ALA A 47 5.349 4.771 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.196 3.740 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.834 4.781 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.836 5.354 9.632 1.00 0.00 H new ATOM 674 N GLY A 48 4.920 4.208 10.548 1.00 0.00 N ATOM 675 CA GLY A 48 4.187 4.067 11.844 1.00 0.00 C ATOM 676 C GLY A 48 2.791 4.707 11.816 1.00 0.00 C ATOM 677 O GLY A 48 2.300 5.140 12.841 1.00 0.00 O ATOM 0 H GLY A 48 5.230 3.328 10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.091 3.009 12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.775 4.525 12.639 1.00 0.00 H new ATOM 681 N CYS A 49 2.204 4.750 10.642 1.00 0.00 N ATOM 682 CA CYS A 49 0.837 5.341 10.457 1.00 0.00 C ATOM 683 C CYS A 49 0.767 6.830 10.884 1.00 0.00 C ATOM 684 O CYS A 49 -0.281 7.272 11.319 1.00 0.00 O ATOM 685 CB CYS A 49 -0.177 4.509 11.293 1.00 0.00 C ATOM 686 SG CYS A 49 -0.164 2.702 11.160 1.00 0.00 S ATOM 0 H CYS A 49 2.625 4.392 9.785 1.00 0.00 H new ATOM 0 HA CYS A 49 0.594 5.305 9.395 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.022 4.761 12.342 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.178 4.850 11.028 1.00 0.00 H new ATOM 691 N SER A 50 1.848 7.570 10.755 1.00 0.00 N ATOM 692 CA SER A 50 1.821 9.016 11.161 1.00 0.00 C ATOM 693 C SER A 50 2.042 9.935 9.957 1.00 0.00 C ATOM 694 O SER A 50 2.663 10.977 10.053 1.00 0.00 O ATOM 695 CB SER A 50 2.917 9.231 12.233 1.00 0.00 C ATOM 696 OG SER A 50 4.134 8.880 11.590 1.00 0.00 O ATOM 0 H SER A 50 2.740 7.238 10.389 1.00 0.00 H new ATOM 0 HA SER A 50 0.843 9.267 11.571 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.936 10.265 12.576 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.740 8.608 13.109 1.00 0.00 H new ATOM 0 HG SER A 50 4.152 7.913 11.430 1.00 0.00 H new ATOM 702 N GLY A 51 1.501 9.490 8.853 1.00 0.00 N ATOM 703 CA GLY A 51 1.609 10.245 7.569 1.00 0.00 C ATOM 704 C GLY A 51 0.231 10.661 7.065 1.00 0.00 C ATOM 705 O GLY A 51 -0.770 10.073 7.425 1.00 0.00 O ATOM 0 H GLY A 51 0.978 8.617 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.230 11.129 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.104 9.627 6.820 1.00 0.00 H new ATOM 709 N VAL A 52 0.225 11.678 6.242 1.00 0.00 N ATOM 710 CA VAL A 52 -1.047 12.191 5.669 1.00 0.00 C ATOM 711 C VAL A 52 -1.398 11.374 4.421 1.00 0.00 C ATOM 712 O VAL A 52 -0.520 10.885 3.736 1.00 0.00 O ATOM 713 CB VAL A 52 -0.856 13.688 5.317 1.00 0.00 C ATOM 714 CG1 VAL A 52 -0.582 14.497 6.601 1.00 0.00 C ATOM 715 CG2 VAL A 52 0.311 13.903 4.323 1.00 0.00 C ATOM 0 H VAL A 52 1.061 12.179 5.941 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.864 12.095 6.384 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.775 14.032 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.449 15.549 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.425 14.393 7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.322 14.122 7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.410 14.966 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.237 13.536 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.108 13.359 3.400 1.00 0.00 H new ATOM 725 N ALA A 53 -2.675 11.250 4.166 1.00 0.00 N ATOM 726 CA ALA A 53 -3.128 10.475 2.975 1.00 0.00 C ATOM 727 C ALA A 53 -2.837 11.282 1.705 1.00 0.00 C ATOM 728 O ALA A 53 -3.628 12.100 1.271 1.00 0.00 O ATOM 729 CB ALA A 53 -4.621 10.207 3.103 1.00 0.00 C ATOM 0 H ALA A 53 -3.423 11.652 4.732 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.596 9.525 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.964 9.641 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.811 9.634 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.158 11.154 3.153 1.00 0.00 H new ATOM 735 N HIS A 54 -1.686 11.009 1.153 1.00 0.00 N ATOM 736 CA HIS A 54 -1.238 11.698 -0.092 1.00 0.00 C ATOM 737 C HIS A 54 -1.912 11.068 -1.321 1.00 0.00 C ATOM 738 O HIS A 54 -2.034 11.706 -2.349 1.00 0.00 O ATOM 739 CB HIS A 54 0.292 11.568 -0.135 1.00 0.00 C ATOM 740 CG HIS A 54 0.855 11.990 -1.496 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.999 11.199 -2.508 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.311 13.215 -1.952 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.498 11.855 -3.507 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.708 13.112 -3.205 1.00 0.00 N ATOM 0 H HIS A 54 -1.025 10.324 1.519 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.521 12.751 -0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.732 12.184 0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.576 10.537 0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.338 14.122 -1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.714 11.419 -4.471 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.091 13.844 -3.803 1.00 0.00 H new ATOM 752 N THR A 55 -2.329 9.835 -1.171 1.00 0.00 N ATOM 753 CA THR A 55 -3.004 9.098 -2.285 1.00 0.00 C ATOM 754 C THR A 55 -4.056 8.138 -1.708 1.00 0.00 C ATOM 755 O THR A 55 -3.805 7.456 -0.734 1.00 0.00 O ATOM 756 CB THR A 55 -1.926 8.329 -3.068 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.120 9.337 -3.661 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.514 7.545 -4.257 1.00 0.00 C ATOM 0 H THR A 55 -2.228 9.299 -0.309 1.00 0.00 H new ATOM 0 HA THR A 55 -3.515 9.790 -2.954 1.00 0.00 H new ATOM 0 HB THR A 55 -1.418 7.637 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.442 9.633 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.714 7.019 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.244 6.823 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.001 8.237 -4.944 1.00 0.00 H new ATOM 766 N ARG A 56 -5.202 8.126 -2.343 1.00 0.00 N ATOM 767 CA ARG A 56 -6.348 7.252 -1.922 1.00 0.00 C ATOM 768 C ARG A 56 -6.671 6.188 -2.979 1.00 0.00 C ATOM 769 O ARG A 56 -6.516 6.426 -4.162 1.00 0.00 O ATOM 770 CB ARG A 56 -7.600 8.129 -1.698 1.00 0.00 C ATOM 771 CG ARG A 56 -7.492 9.007 -0.427 1.00 0.00 C ATOM 772 CD ARG A 56 -7.623 8.116 0.817 1.00 0.00 C ATOM 773 NE ARG A 56 -7.726 8.986 2.028 1.00 0.00 N ATOM 774 CZ ARG A 56 -8.286 8.555 3.134 1.00 0.00 C ATOM 775 NH1 ARG A 56 -8.772 7.343 3.210 1.00 0.00 N ATOM 776 NH2 ARG A 56 -8.340 9.370 4.149 1.00 0.00 N ATOM 0 H ARG A 56 -5.399 8.703 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.060 6.743 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.750 8.770 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.478 7.489 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.537 9.532 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.273 9.767 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.504 7.480 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.760 7.455 0.900 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.353 9.935 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.718 6.721 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.205 7.020 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.954 10.311 4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.768 9.067 5.024 1.00 0.00 H new ATOM 790 N PHE A 57 -7.115 5.048 -2.503 1.00 0.00 N ATOM 791 CA PHE A 57 -7.485 3.907 -3.399 1.00 0.00 C ATOM 792 C PHE A 57 -8.860 3.371 -2.955 1.00 0.00 C ATOM 793 O PHE A 57 -8.959 2.606 -2.015 1.00 0.00 O ATOM 794 CB PHE A 57 -6.460 2.748 -3.295 1.00 0.00 C ATOM 795 CG PHE A 57 -5.034 3.084 -3.775 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.787 3.939 -4.839 1.00 0.00 C ATOM 797 CD2 PHE A 57 -3.957 2.497 -3.133 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.496 4.197 -5.247 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.668 2.755 -3.540 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.435 3.605 -4.598 1.00 0.00 C ATOM 0 H PHE A 57 -7.239 4.858 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.502 4.266 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.409 2.423 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.831 1.903 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.614 4.407 -5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.131 1.829 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.316 4.864 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.838 2.290 -3.029 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.423 3.807 -4.918 1.00 0.00 H new ATOM 810 N GLY A 58 -9.882 3.799 -3.653 1.00 0.00 N ATOM 811 CA GLY A 58 -11.278 3.357 -3.335 1.00 0.00 C ATOM 812 C GLY A 58 -11.684 2.184 -4.240 1.00 0.00 C ATOM 813 O GLY A 58 -12.842 1.818 -4.301 1.00 0.00 O ATOM 0 H GLY A 58 -9.809 4.444 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.343 3.058 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.970 4.188 -3.472 1.00 0.00 H new ATOM 817 N SER A 59 -10.705 1.633 -4.916 1.00 0.00 N ATOM 818 CA SER A 59 -10.926 0.482 -5.844 1.00 0.00 C ATOM 819 C SER A 59 -9.567 -0.163 -6.163 1.00 0.00 C ATOM 820 O SER A 59 -8.590 0.549 -6.302 1.00 0.00 O ATOM 821 CB SER A 59 -11.582 0.991 -7.142 1.00 0.00 C ATOM 822 OG SER A 59 -11.768 -0.178 -7.929 1.00 0.00 O ATOM 0 H SER A 59 -9.735 1.943 -4.860 1.00 0.00 H new ATOM 0 HA SER A 59 -11.582 -0.255 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.531 1.488 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.946 1.715 -7.651 1.00 0.00 H new ATOM 0 HG SER A 59 -12.187 0.064 -8.781 1.00 0.00 H new ATOM 828 N SER A 60 -9.545 -1.475 -6.263 1.00 0.00 N ATOM 829 CA SER A 60 -8.289 -2.227 -6.578 1.00 0.00 C ATOM 830 C SER A 60 -7.445 -1.513 -7.652 1.00 0.00 C ATOM 831 O SER A 60 -7.951 -1.174 -8.705 1.00 0.00 O ATOM 832 CB SER A 60 -8.682 -3.640 -7.063 1.00 0.00 C ATOM 833 OG SER A 60 -9.496 -3.419 -8.207 1.00 0.00 O ATOM 0 H SER A 60 -10.366 -2.067 -6.136 1.00 0.00 H new ATOM 0 HA SER A 60 -7.676 -2.284 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.801 -4.231 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.224 -4.186 -6.291 1.00 0.00 H new ATOM 0 HG SER A 60 -9.155 -2.648 -8.707 1.00 0.00 H new ATOM 839 N ALA A 61 -6.190 -1.307 -7.342 1.00 0.00 N ATOM 840 CA ALA A 61 -5.263 -0.616 -8.302 1.00 0.00 C ATOM 841 C ALA A 61 -3.924 -1.352 -8.470 1.00 0.00 C ATOM 842 O ALA A 61 -3.148 -1.421 -7.541 1.00 0.00 O ATOM 843 CB ALA A 61 -5.015 0.811 -7.784 1.00 0.00 C ATOM 0 H ALA A 61 -5.761 -1.588 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.734 -0.604 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.344 1.334 -8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.962 1.347 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.563 0.765 -6.793 1.00 0.00 H new ATOM 849 N ARG A 62 -3.709 -1.871 -9.655 1.00 0.00 N ATOM 850 CA ARG A 62 -2.463 -2.623 -10.014 1.00 0.00 C ATOM 851 C ARG A 62 -1.286 -1.693 -10.373 1.00 0.00 C ATOM 852 O ARG A 62 -0.911 -1.607 -11.528 1.00 0.00 O ATOM 853 CB ARG A 62 -2.820 -3.545 -11.205 1.00 0.00 C ATOM 854 CG ARG A 62 -3.726 -4.705 -10.758 1.00 0.00 C ATOM 855 CD ARG A 62 -2.852 -5.823 -10.154 1.00 0.00 C ATOM 856 NE ARG A 62 -3.749 -6.823 -9.497 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.306 -7.643 -8.577 1.00 0.00 C ATOM 858 NH1 ARG A 62 -2.053 -7.616 -8.202 1.00 0.00 N ATOM 859 NH2 ARG A 62 -4.153 -8.481 -8.048 1.00 0.00 N ATOM 0 H ARG A 62 -4.377 -1.800 -10.422 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.125 -3.198 -9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.322 -2.965 -11.979 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.907 -3.943 -11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.450 -4.355 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.293 -5.088 -11.606 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.257 -6.301 -10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.153 -5.407 -9.429 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.730 -6.868 -9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.408 -6.950 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.721 -8.260 -7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.126 -8.484 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.843 -9.134 -7.329 1.00 0.00 H new ATOM 873 N ALA A 63 -0.726 -1.017 -9.396 1.00 0.00 N ATOM 874 CA ALA A 63 0.422 -0.105 -9.702 1.00 0.00 C ATOM 875 C ALA A 63 1.740 -0.877 -9.551 1.00 0.00 C ATOM 876 O ALA A 63 1.781 -1.886 -8.875 1.00 0.00 O ATOM 877 CB ALA A 63 0.385 1.097 -8.734 1.00 0.00 C ATOM 0 H ALA A 63 -1.008 -1.056 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 63 0.347 0.262 -10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.218 1.765 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.554 1.636 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.465 0.740 -7.707 1.00 0.00 H new ATOM 883 N CYS A 64 2.783 -0.402 -10.186 1.00 0.00 N ATOM 884 CA CYS A 64 4.109 -1.094 -10.085 1.00 0.00 C ATOM 885 C CYS A 64 5.240 -0.054 -10.161 1.00 0.00 C ATOM 886 O CYS A 64 6.404 -0.387 -10.277 1.00 0.00 O ATOM 887 CB CYS A 64 4.237 -2.131 -11.231 1.00 0.00 C ATOM 888 SG CYS A 64 2.859 -3.293 -11.409 1.00 0.00 S ATOM 0 H CYS A 64 2.775 0.434 -10.770 1.00 0.00 H new ATOM 0 HA CYS A 64 4.183 -1.617 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.355 -1.591 -12.171 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.151 -2.704 -11.075 1.00 0.00 H new ATOM 893 N ASN A 65 4.836 1.189 -10.085 1.00 0.00 N ATOM 894 CA ASN A 65 5.767 2.356 -10.134 1.00 0.00 C ATOM 895 C ASN A 65 6.492 2.437 -8.772 1.00 0.00 C ATOM 896 O ASN A 65 6.072 1.761 -7.856 1.00 0.00 O ATOM 897 CB ASN A 65 4.913 3.601 -10.396 1.00 0.00 C ATOM 898 CG ASN A 65 4.173 3.443 -11.729 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.178 2.750 -11.825 1.00 0.00 O ATOM 900 ND2 ASN A 65 4.630 4.069 -12.780 1.00 0.00 N ATOM 0 H ASN A 65 3.855 1.452 -9.987 1.00 0.00 H new ATOM 0 HA ASN A 65 6.518 2.268 -10.919 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.198 3.741 -9.585 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.544 4.489 -10.422 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.153 3.976 -13.677 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.464 4.651 -12.704 1.00 0.00 H new ATOM 907 N PRO A 66 7.536 3.229 -8.647 1.00 0.00 N ATOM 908 CA PRO A 66 8.213 3.455 -7.331 1.00 0.00 C ATOM 909 C PRO A 66 7.232 3.973 -6.260 1.00 0.00 C ATOM 910 O PRO A 66 6.329 4.731 -6.559 1.00 0.00 O ATOM 911 CB PRO A 66 9.344 4.449 -7.610 1.00 0.00 C ATOM 912 CG PRO A 66 9.428 4.631 -9.137 1.00 0.00 C ATOM 913 CD PRO A 66 8.182 3.986 -9.763 1.00 0.00 C ATOM 0 HA PRO A 66 8.604 2.523 -6.921 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.147 5.402 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.289 4.076 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.478 5.690 -9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.334 4.166 -9.527 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.509 4.741 -10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.452 3.323 -10.585 1.00 0.00 H new ATOM 921 N PHE A 67 7.450 3.541 -5.041 1.00 0.00 N ATOM 922 CA PHE A 67 6.582 3.954 -3.888 1.00 0.00 C ATOM 923 C PHE A 67 6.913 5.415 -3.517 1.00 0.00 C ATOM 924 O PHE A 67 7.905 5.953 -3.972 1.00 0.00 O ATOM 925 CB PHE A 67 6.877 2.988 -2.713 1.00 0.00 C ATOM 926 CG PHE A 67 5.731 2.877 -1.689 1.00 0.00 C ATOM 927 CD1 PHE A 67 4.441 2.573 -2.085 1.00 0.00 C ATOM 928 CD2 PHE A 67 5.982 3.068 -0.342 1.00 0.00 C ATOM 929 CE1 PHE A 67 3.426 2.464 -1.161 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.965 2.959 0.585 1.00 0.00 C ATOM 931 CZ PHE A 67 3.688 2.657 0.174 1.00 0.00 C ATOM 0 H PHE A 67 8.208 2.906 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 67 5.522 3.902 -4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.088 1.997 -3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.778 3.322 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.227 2.419 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.983 3.305 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.424 2.227 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.172 3.111 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.892 2.572 0.899 1.00 0.00 H new ATOM 941 N GLY A 68 6.075 6.008 -2.706 1.00 0.00 N ATOM 942 CA GLY A 68 6.293 7.430 -2.277 1.00 0.00 C ATOM 943 C GLY A 68 5.745 7.681 -0.870 1.00 0.00 C ATOM 944 O GLY A 68 5.545 8.815 -0.478 1.00 0.00 O ATOM 0 H GLY A 68 5.241 5.567 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.358 7.659 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.807 8.103 -2.983 1.00 0.00 H new ATOM 948 N TRP A 69 5.517 6.608 -0.157 1.00 0.00 N ATOM 949 CA TRP A 69 4.979 6.687 1.238 1.00 0.00 C ATOM 950 C TRP A 69 5.744 5.653 2.081 1.00 0.00 C ATOM 951 O TRP A 69 6.760 5.152 1.639 1.00 0.00 O ATOM 952 CB TRP A 69 3.462 6.366 1.186 1.00 0.00 C ATOM 953 CG TRP A 69 2.819 7.222 0.083 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.309 8.475 0.234 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.678 6.863 -1.227 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.899 8.805 -0.966 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.074 7.911 -1.910 1.00 0.00 C ATOM 958 CE3 TRP A 69 3.021 5.703 -1.911 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.814 7.805 -3.271 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.762 5.589 -3.276 1.00 0.00 C ATOM 961 CH2 TRP A 69 2.159 6.642 -3.957 1.00 0.00 C ATOM 0 H TRP A 69 5.685 5.658 -0.490 1.00 0.00 H new ATOM 0 HA TRP A 69 5.107 7.675 1.680 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.306 5.307 0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.997 6.577 2.149 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.255 9.064 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.467 9.709 -1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.490 4.886 -1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.345 8.623 -3.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.029 4.685 -3.804 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.959 6.558 -5.015 1.00 0.00 H new ATOM 972 N LYS A 70 5.258 5.361 3.263 1.00 0.00 N ATOM 973 CA LYS A 70 5.937 4.357 4.144 1.00 0.00 C ATOM 974 C LYS A 70 4.886 3.361 4.621 1.00 0.00 C ATOM 975 O LYS A 70 5.173 2.189 4.747 1.00 0.00 O ATOM 976 CB LYS A 70 6.581 5.020 5.391 1.00 0.00 C ATOM 977 CG LYS A 70 8.039 5.486 5.127 1.00 0.00 C ATOM 978 CD LYS A 70 8.128 6.793 4.311 1.00 0.00 C ATOM 979 CE LYS A 70 9.600 7.104 3.997 1.00 0.00 C ATOM 980 NZ LYS A 70 9.695 8.372 3.218 1.00 0.00 N ATOM 0 H LYS A 70 4.415 5.777 3.658 1.00 0.00 H new ATOM 0 HA LYS A 70 6.728 3.875 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.979 5.876 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.573 4.313 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.546 5.628 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.574 4.698 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.561 6.695 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.684 7.615 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.168 7.192 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.041 6.284 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.693 8.577 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.168 8.272 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.291 9.152 3.774 1.00 0.00 H new ATOM 994 N SER A 71 3.703 3.862 4.872 1.00 0.00 N ATOM 995 CA SER A 71 2.582 2.994 5.345 1.00 0.00 C ATOM 996 C SER A 71 1.287 3.284 4.590 1.00 0.00 C ATOM 997 O SER A 71 1.170 4.254 3.864 1.00 0.00 O ATOM 998 CB SER A 71 2.367 3.219 6.859 1.00 0.00 C ATOM 999 OG SER A 71 2.199 4.617 7.032 1.00 0.00 O ATOM 0 H SER A 71 3.463 4.848 4.768 1.00 0.00 H new ATOM 0 HA SER A 71 2.851 1.955 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.491 2.675 7.213 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.220 2.856 7.431 1.00 0.00 H new ATOM 0 HG SER A 71 3.077 5.044 7.118 1.00 0.00 H new ATOM 1005 N ILE A 72 0.359 2.393 4.815 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.989 2.466 4.184 1.00 0.00 C ATOM 1007 C ILE A 72 -2.083 2.294 5.236 1.00 0.00 C ATOM 1008 O ILE A 72 -2.142 1.297 5.926 1.00 0.00 O ATOM 1009 CB ILE A 72 -1.074 1.361 3.085 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.524 1.283 2.516 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.681 -0.030 3.662 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.480 0.836 1.064 1.00 0.00 C ATOM 0 H ILE A 72 0.486 1.591 5.432 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.140 3.443 3.725 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.377 1.625 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.119 0.584 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.008 2.257 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.749 -0.782 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.340 0.009 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.359 -0.292 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.494 0.782 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.901 1.552 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.013 -0.147 1.000 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.913 3.300 5.308 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.049 3.312 6.276 1.00 0.00 C ATOM 1026 C PHE A 73 -5.310 2.871 5.527 1.00 0.00 C ATOM 1027 O PHE A 73 -5.715 3.519 4.582 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.193 4.742 6.830 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.337 4.819 7.861 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -6.660 4.836 7.454 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -5.054 4.869 9.214 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -7.679 4.899 8.380 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -6.072 4.933 10.141 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.386 4.948 9.726 1.00 0.00 C ATOM 0 H PHE A 73 -2.850 4.133 4.723 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.882 2.633 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.257 5.052 7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.388 5.436 6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.896 4.800 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.027 4.858 9.547 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.708 4.910 8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.839 4.971 11.195 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.183 4.998 10.453 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.889 1.784 5.971 1.00 0.00 N ATOM 1045 CA ILE A 74 -7.129 1.248 5.326 1.00 0.00 C ATOM 1046 C ILE A 74 -8.256 1.271 6.363 1.00 0.00 C ATOM 1047 O ILE A 74 -8.005 1.150 7.545 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.865 -0.213 4.844 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.591 -0.236 3.941 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -8.093 -0.715 4.034 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -5.239 -1.673 3.489 1.00 0.00 C ATOM 0 H ILE A 74 -5.551 1.237 6.763 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.411 1.854 4.465 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.709 -0.864 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.754 0.392 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.750 0.191 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.913 -1.735 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.980 -0.694 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.248 -0.068 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.347 -1.649 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.051 -2.294 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.071 -2.090 2.921 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.470 1.428 5.895 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.639 1.456 6.831 1.00 0.00 C ATOM 1065 C GLN A 75 -10.876 0.006 7.296 1.00 0.00 C ATOM 1066 O GLN A 75 -10.155 -0.887 6.892 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.887 1.973 6.095 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.688 3.412 5.601 1.00 0.00 C ATOM 1069 CD GLN A 75 -12.987 3.879 4.924 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -13.526 3.136 3.994 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -13.523 4.925 5.233 1.00 0.00 N flip ATOM 0 H GLN A 75 -9.703 1.538 4.908 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.444 2.114 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.108 1.323 5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.748 1.931 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.439 4.068 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.856 3.460 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.112 5.514 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.384 5.214 4.768 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.868 -0.199 8.127 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.155 -1.585 8.614 1.00 0.00 C ATOM 1082 C CYS A 76 -13.666 -1.865 8.529 1.00 0.00 C ATOM 1083 O CYS A 76 -14.415 -0.935 8.782 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.671 -1.720 10.076 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.219 -3.402 10.568 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.989 -2.998 8.213 1.00 0.00 O ATOM 0 H CYS A 76 -12.487 0.527 8.487 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.629 -2.309 7.991 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.809 -1.069 10.221 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.457 -1.360 10.740 1.00 0.00 H new