USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 734 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 38 LYS NZ :NH3+ 172:sc= 0.1 (180deg=-0.567) USER MOD Set 1.2: A 53 CYS SG : rot 180:sc= -0.693 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -6.52! C(o=-5.7!,f=-14!) USER MOD Set 2.2: A 30 ASN : amide:sc= 0.849 K(o=-5.7,f=-8.6!) USER MOD Set 3.1: A 16 SER OG : rot -160:sc= -0.0038 USER MOD Set 3.2: A 46 HIS : no HD1:sc= 0.445 K(o=0.44,f=-2.1!) USER MOD Single : A 1 MET CE :methyl -115:sc= 0 (180deg=-0.0808) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0931 (180deg=-0.606) USER MOD Single : A 3 HIS : no HE2:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 32:sc= 0.0428 USER MOD Single : A 32 TYR OH : rot 127:sc= 1.24 USER MOD Single : A 34 SER OG : rot -24:sc= 0.722 USER MOD Single : A 36 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 42 SER OG : rot -21:sc= -0.318 USER MOD Single : A 43 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.3) USER MOD Single : A 44 GLN : amide:sc= -0.894 K(o=-0.89,f=-3.9!) USER MOD Single : A 45 THR OG1 : rot -72:sc= 0.0855 USER MOD Single : A 48 SER OG : rot 180:sc= -0.233 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.676 K(o=-0.68,f=-0.17) USER MOD Single : A 54 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.013) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 67 MET CE :methyl -115:sc= -0.189 (180deg=-0.781) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.7!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.11! USER MOD Single : A 81 SER OG : rot -177:sc= -0.664 USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= -0.086 (180deg=-0.538) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.019 15.287 -21.438 1.00 0.00 N ATOM 2 CA MET A 1 17.253 16.484 -20.991 1.00 0.00 C ATOM 3 C MET A 1 17.297 16.567 -19.465 1.00 0.00 C ATOM 4 O MET A 1 17.865 17.476 -18.891 1.00 0.00 O ATOM 5 CB MET A 1 15.795 16.349 -21.447 1.00 0.00 C ATOM 6 CG MET A 1 15.730 16.347 -22.978 1.00 0.00 C ATOM 7 SD MET A 1 16.269 17.951 -23.623 1.00 0.00 S ATOM 8 CE MET A 1 14.709 18.843 -23.397 1.00 0.00 C ATOM 0 H1 MET A 1 18.313 15.413 -22.428 1.00 0.00 H new ATOM 0 H2 MET A 1 18.861 15.170 -20.839 1.00 0.00 H new ATOM 0 H3 MET A 1 17.418 14.441 -21.360 1.00 0.00 H new ATOM 0 HA MET A 1 17.691 17.384 -21.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.365 15.428 -21.054 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.202 17.173 -21.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.363 15.554 -23.376 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.712 16.137 -23.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.308 19.128 -24.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.994 18.200 -22.884 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.885 19.739 -22.801 1.00 0.00 H new ATOM 20 N GLY A 2 16.690 15.619 -18.810 1.00 0.00 N ATOM 21 CA GLY A 2 16.671 15.617 -17.318 1.00 0.00 C ATOM 22 C GLY A 2 18.069 15.344 -16.761 1.00 0.00 C ATOM 23 O GLY A 2 18.877 14.670 -17.370 1.00 0.00 O ATOM 0 H GLY A 2 16.201 14.837 -19.247 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.310 16.578 -16.952 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.976 14.858 -16.959 1.00 0.00 H new ATOM 27 N HIS A 3 18.350 15.866 -15.599 1.00 0.00 N ATOM 28 CA HIS A 3 19.688 15.646 -14.982 1.00 0.00 C ATOM 29 C HIS A 3 19.589 15.758 -13.456 1.00 0.00 C ATOM 30 O HIS A 3 18.764 16.476 -12.921 1.00 0.00 O ATOM 31 CB HIS A 3 20.673 16.694 -15.509 1.00 0.00 C ATOM 32 CG HIS A 3 20.130 18.076 -15.259 1.00 0.00 C ATOM 33 ND1 HIS A 3 19.137 18.634 -16.051 1.00 0.00 N ATOM 34 CD2 HIS A 3 20.440 19.029 -14.321 1.00 0.00 C ATOM 35 CE1 HIS A 3 18.891 19.870 -15.581 1.00 0.00 C ATOM 36 NE2 HIS A 3 19.657 20.162 -14.526 1.00 0.00 N ATOM 0 H HIS A 3 17.709 16.437 -15.049 1.00 0.00 H new ATOM 0 HA HIS A 3 20.040 14.648 -15.243 1.00 0.00 H new ATOM 0 HB2 HIS A 3 21.639 16.578 -15.017 1.00 0.00 H new ATOM 0 HB3 HIS A 3 20.839 16.546 -16.576 1.00 0.00 H new ATOM 0 HD1 HIS A 3 18.677 18.188 -16.845 1.00 0.00 H new ATOM 0 HD2 HIS A 3 21.179 18.917 -13.542 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.162 20.545 -16.005 1.00 0.00 H new ATOM 44 N HIS A 4 20.436 15.045 -12.764 1.00 0.00 N ATOM 45 CA HIS A 4 20.436 15.075 -11.269 1.00 0.00 C ATOM 46 C HIS A 4 18.999 15.055 -10.735 1.00 0.00 C ATOM 47 O HIS A 4 18.342 16.071 -10.623 1.00 0.00 O ATOM 48 CB HIS A 4 21.168 16.324 -10.777 1.00 0.00 C ATOM 49 CG HIS A 4 22.619 16.234 -11.173 1.00 0.00 C ATOM 50 ND1 HIS A 4 23.467 15.261 -10.663 1.00 0.00 N ATOM 51 CD2 HIS A 4 23.387 16.987 -12.027 1.00 0.00 C ATOM 52 CE1 HIS A 4 24.682 15.455 -11.209 1.00 0.00 C ATOM 53 NE2 HIS A 4 24.687 16.493 -12.048 1.00 0.00 N ATOM 0 H HIS A 4 21.140 14.433 -13.176 1.00 0.00 H new ATOM 0 HA HIS A 4 20.953 14.191 -10.897 1.00 0.00 H new ATOM 0 HB2 HIS A 4 20.716 17.218 -11.206 1.00 0.00 H new ATOM 0 HB3 HIS A 4 21.079 16.410 -9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 4 23.035 17.835 -12.596 1.00 0.00 H new ATOM 0 HE1 HIS A 4 25.547 14.845 -10.994 1.00 0.00 H new ATOM 0 HE2 HIS A 4 25.476 16.848 -12.589 1.00 0.00 H new ATOM 61 N HIS A 5 18.516 13.887 -10.406 1.00 0.00 N ATOM 62 CA HIS A 5 17.124 13.760 -9.885 1.00 0.00 C ATOM 63 C HIS A 5 17.062 14.206 -8.422 1.00 0.00 C ATOM 64 O HIS A 5 18.008 14.059 -7.673 1.00 0.00 O ATOM 65 CB HIS A 5 16.677 12.302 -9.985 1.00 0.00 C ATOM 66 CG HIS A 5 16.674 11.881 -11.426 1.00 0.00 C ATOM 67 ND1 HIS A 5 15.705 12.314 -12.317 1.00 0.00 N ATOM 68 CD2 HIS A 5 17.513 11.069 -12.148 1.00 0.00 C ATOM 69 CE1 HIS A 5 15.983 11.766 -13.515 1.00 0.00 C ATOM 70 NE2 HIS A 5 17.075 10.999 -13.469 1.00 0.00 N ATOM 0 H HIS A 5 19.030 13.009 -10.476 1.00 0.00 H new ATOM 0 HA HIS A 5 16.465 14.394 -10.479 1.00 0.00 H new ATOM 0 HB2 HIS A 5 17.347 11.664 -9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 5 15.681 12.185 -9.558 1.00 0.00 H new ATOM 0 HD2 HIS A 5 18.380 10.562 -11.752 1.00 0.00 H new ATOM 0 HE1 HIS A 5 15.394 11.927 -14.406 1.00 0.00 H new ATOM 0 HE2 HIS A 5 17.497 10.475 -14.235 1.00 0.00 H new ATOM 78 N HIS A 6 15.944 14.758 -8.025 1.00 0.00 N ATOM 79 CA HIS A 6 15.776 15.240 -6.618 1.00 0.00 C ATOM 80 C HIS A 6 14.585 14.540 -5.952 1.00 0.00 C ATOM 81 O HIS A 6 13.719 13.992 -6.606 1.00 0.00 O ATOM 82 CB HIS A 6 15.530 16.750 -6.633 1.00 0.00 C ATOM 83 CG HIS A 6 16.747 17.446 -7.176 1.00 0.00 C ATOM 84 ND1 HIS A 6 17.895 17.615 -6.418 1.00 0.00 N ATOM 85 CD2 HIS A 6 17.015 18.016 -8.396 1.00 0.00 C ATOM 86 CE1 HIS A 6 18.794 18.262 -7.182 1.00 0.00 C ATOM 87 NE2 HIS A 6 18.309 18.530 -8.397 1.00 0.00 N ATOM 0 H HIS A 6 15.129 14.898 -8.623 1.00 0.00 H new ATOM 0 HA HIS A 6 16.680 15.012 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.660 16.982 -7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.313 17.105 -5.625 1.00 0.00 H new ATOM 0 HD2 HIS A 6 16.327 18.059 -9.228 1.00 0.00 H new ATOM 0 HE1 HIS A 6 19.787 18.532 -6.853 1.00 0.00 H new ATOM 0 HE2 HIS A 6 18.785 19.009 -9.162 1.00 0.00 H new ATOM 95 N HIS A 7 14.563 14.566 -4.646 1.00 0.00 N ATOM 96 CA HIS A 7 13.460 13.926 -3.862 1.00 0.00 C ATOM 97 C HIS A 7 13.397 12.421 -4.135 1.00 0.00 C ATOM 98 O HIS A 7 14.255 11.854 -4.781 1.00 0.00 O ATOM 99 CB HIS A 7 12.111 14.569 -4.201 1.00 0.00 C ATOM 100 CG HIS A 7 12.144 16.032 -3.851 1.00 0.00 C ATOM 101 ND1 HIS A 7 12.085 16.484 -2.540 1.00 0.00 N ATOM 102 CD2 HIS A 7 12.219 17.159 -4.631 1.00 0.00 C ATOM 103 CE1 HIS A 7 12.125 17.829 -2.573 1.00 0.00 C ATOM 104 NE2 HIS A 7 12.206 18.292 -3.823 1.00 0.00 N ATOM 0 H HIS A 7 15.279 15.014 -4.075 1.00 0.00 H new ATOM 0 HA HIS A 7 13.672 14.082 -2.804 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.894 14.444 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.312 14.072 -3.651 1.00 0.00 H new ATOM 0 HD2 HIS A 7 12.279 17.165 -5.709 1.00 0.00 H new ATOM 0 HE1 HIS A 7 12.095 18.457 -1.695 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.249 19.266 -4.121 1.00 0.00 H new ATOM 112 N HIS A 8 12.381 11.772 -3.627 1.00 0.00 N ATOM 113 CA HIS A 8 12.242 10.296 -3.826 1.00 0.00 C ATOM 114 C HIS A 8 11.267 10.027 -4.973 1.00 0.00 C ATOM 115 O HIS A 8 10.062 10.098 -4.820 1.00 0.00 O ATOM 116 CB HIS A 8 11.722 9.662 -2.534 1.00 0.00 C ATOM 117 CG HIS A 8 12.757 9.820 -1.452 1.00 0.00 C ATOM 118 ND1 HIS A 8 12.512 9.465 -0.133 1.00 0.00 N ATOM 119 CD2 HIS A 8 14.045 10.295 -1.478 1.00 0.00 C ATOM 120 CE1 HIS A 8 13.629 9.729 0.572 1.00 0.00 C ATOM 121 NE2 HIS A 8 14.594 10.234 -0.201 1.00 0.00 N ATOM 0 H HIS A 8 11.636 12.203 -3.079 1.00 0.00 H new ATOM 0 HA HIS A 8 13.210 9.862 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.788 10.137 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.505 8.606 -2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.555 10.661 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.732 9.554 1.633 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.532 10.515 0.084 1.00 0.00 H new ATOM 129 N SER A 9 11.795 9.719 -6.122 1.00 0.00 N ATOM 130 CA SER A 9 10.938 9.447 -7.308 1.00 0.00 C ATOM 131 C SER A 9 10.324 8.053 -7.197 1.00 0.00 C ATOM 132 O SER A 9 10.888 7.165 -6.592 1.00 0.00 O ATOM 133 CB SER A 9 11.791 9.529 -8.571 1.00 0.00 C ATOM 134 OG SER A 9 10.984 9.260 -9.709 1.00 0.00 O ATOM 0 H SER A 9 12.798 9.643 -6.293 1.00 0.00 H new ATOM 0 HA SER A 9 10.138 10.186 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.239 10.519 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.610 8.812 -8.516 1.00 0.00 H new ATOM 0 HG SER A 9 11.532 9.315 -10.519 1.00 0.00 H new ATOM 140 N HIS A 10 9.172 7.874 -7.786 1.00 0.00 N ATOM 141 CA HIS A 10 8.479 6.551 -7.744 1.00 0.00 C ATOM 142 C HIS A 10 8.226 6.137 -6.291 1.00 0.00 C ATOM 143 O HIS A 10 7.111 6.148 -5.810 1.00 0.00 O ATOM 144 CB HIS A 10 9.346 5.487 -8.427 1.00 0.00 C ATOM 145 CG HIS A 10 8.593 4.190 -8.458 1.00 0.00 C ATOM 146 ND1 HIS A 10 7.485 4.001 -9.267 1.00 0.00 N ATOM 147 CD2 HIS A 10 8.769 3.010 -7.780 1.00 0.00 C ATOM 148 CE1 HIS A 10 7.040 2.749 -9.057 1.00 0.00 C ATOM 149 NE2 HIS A 10 7.787 2.100 -8.159 1.00 0.00 N ATOM 0 H HIS A 10 8.674 8.599 -8.302 1.00 0.00 H new ATOM 0 HA HIS A 10 7.527 6.638 -8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.598 5.800 -9.440 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.286 5.364 -7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.551 2.817 -7.061 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.183 2.320 -9.554 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.664 1.144 -7.824 1.00 0.00 H new ATOM 157 N MET A 11 9.265 5.768 -5.599 1.00 0.00 N ATOM 158 CA MET A 11 9.126 5.336 -4.179 1.00 0.00 C ATOM 159 C MET A 11 8.421 6.411 -3.355 1.00 0.00 C ATOM 160 O MET A 11 8.694 7.594 -3.466 1.00 0.00 O ATOM 161 CB MET A 11 10.518 5.077 -3.605 1.00 0.00 C ATOM 162 CG MET A 11 10.399 4.529 -2.181 1.00 0.00 C ATOM 163 SD MET A 11 12.053 4.206 -1.519 1.00 0.00 S ATOM 164 CE MET A 11 12.376 5.867 -0.875 1.00 0.00 C ATOM 0 H MET A 11 10.219 5.746 -5.960 1.00 0.00 H new ATOM 0 HA MET A 11 8.527 4.426 -4.138 1.00 0.00 H new ATOM 0 HB2 MET A 11 11.054 4.366 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 11 11.097 6.000 -3.602 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.875 5.244 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.810 3.612 -2.181 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.364 5.893 -0.414 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.337 6.588 -1.692 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.622 6.122 -0.131 1.00 0.00 H new ATOM 174 N LEU A 12 7.510 5.993 -2.518 1.00 0.00 N ATOM 175 CA LEU A 12 6.760 6.956 -1.667 1.00 0.00 C ATOM 176 C LEU A 12 7.559 7.233 -0.385 1.00 0.00 C ATOM 177 O LEU A 12 8.392 6.440 0.013 1.00 0.00 O ATOM 178 CB LEU A 12 5.393 6.344 -1.312 1.00 0.00 C ATOM 179 CG LEU A 12 4.374 6.674 -2.406 1.00 0.00 C ATOM 180 CD1 LEU A 12 4.928 6.245 -3.769 1.00 0.00 C ATOM 181 CD2 LEU A 12 3.068 5.927 -2.128 1.00 0.00 C ATOM 0 H LEU A 12 7.252 5.015 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 12 6.612 7.894 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.486 5.263 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.049 6.732 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 12 4.185 7.747 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.202 6.480 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.858 6.777 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.118 5.172 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.342 6.161 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.257 4.854 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.673 6.233 -1.159 1.00 0.00 H new ATOM 193 N PRO A 13 7.306 8.344 0.264 1.00 0.00 N ATOM 194 CA PRO A 13 8.013 8.704 1.525 1.00 0.00 C ATOM 195 C PRO A 13 8.032 7.551 2.536 1.00 0.00 C ATOM 196 O PRO A 13 7.158 6.704 2.562 1.00 0.00 O ATOM 197 CB PRO A 13 7.221 9.904 2.075 1.00 0.00 C ATOM 198 CG PRO A 13 6.519 10.502 0.893 1.00 0.00 C ATOM 199 CD PRO A 13 6.333 9.380 -0.133 1.00 0.00 C ATOM 0 HA PRO A 13 9.063 8.934 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.507 9.587 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.885 10.630 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.556 10.919 1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.104 11.318 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.314 8.993 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.523 9.734 -1.146 1.00 0.00 H new ATOM 207 N LYS A 14 9.036 7.520 3.362 1.00 0.00 N ATOM 208 CA LYS A 14 9.151 6.433 4.375 1.00 0.00 C ATOM 209 C LYS A 14 7.953 6.488 5.327 1.00 0.00 C ATOM 210 O LYS A 14 7.402 5.474 5.711 1.00 0.00 O ATOM 211 CB LYS A 14 10.438 6.650 5.178 1.00 0.00 C ATOM 212 CG LYS A 14 11.662 6.585 4.252 1.00 0.00 C ATOM 213 CD LYS A 14 12.024 5.127 3.954 1.00 0.00 C ATOM 214 CE LYS A 14 13.271 5.078 3.079 1.00 0.00 C ATOM 215 NZ LYS A 14 13.618 3.657 2.800 1.00 0.00 N ATOM 0 H LYS A 14 9.790 8.207 3.381 1.00 0.00 H new ATOM 0 HA LYS A 14 9.172 5.464 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.403 7.618 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.521 5.891 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.451 7.112 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.508 7.089 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.199 4.588 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.194 4.631 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.096 5.612 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.101 5.576 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.469 3.618 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.801 3.162 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.827 3.197 2.306 1.00 0.00 H new ATOM 229 N GLU A 15 7.553 7.665 5.709 1.00 0.00 N ATOM 230 CA GLU A 15 6.394 7.799 6.640 1.00 0.00 C ATOM 231 C GLU A 15 5.116 7.273 5.970 1.00 0.00 C ATOM 232 O GLU A 15 4.401 6.455 6.518 1.00 0.00 O ATOM 233 CB GLU A 15 6.203 9.280 6.980 1.00 0.00 C ATOM 234 CG GLU A 15 7.375 9.766 7.836 1.00 0.00 C ATOM 235 CD GLU A 15 7.224 11.264 8.123 1.00 0.00 C ATOM 236 OE1 GLU A 15 6.249 11.840 7.672 1.00 0.00 O ATOM 237 OE2 GLU A 15 8.088 11.807 8.792 1.00 0.00 O ATOM 0 H GLU A 15 7.978 8.545 5.418 1.00 0.00 H new ATOM 0 HA GLU A 15 6.589 7.222 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.140 9.868 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.265 9.422 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.409 9.209 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.316 9.579 7.320 1.00 0.00 H new ATOM 244 N SER A 16 4.830 7.743 4.788 1.00 0.00 N ATOM 245 CA SER A 16 3.601 7.289 4.068 1.00 0.00 C ATOM 246 C SER A 16 3.688 5.788 3.772 1.00 0.00 C ATOM 247 O SER A 16 2.728 5.055 3.914 1.00 0.00 O ATOM 248 CB SER A 16 3.486 8.050 2.749 1.00 0.00 C ATOM 249 OG SER A 16 3.362 9.440 3.019 1.00 0.00 O ATOM 0 H SER A 16 5.396 8.426 4.285 1.00 0.00 H new ATOM 0 HA SER A 16 2.729 7.482 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.365 7.865 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.621 7.698 2.187 1.00 0.00 H new ATOM 0 HG SER A 16 2.978 9.892 2.239 1.00 0.00 H new ATOM 255 N VAL A 17 4.835 5.334 3.356 1.00 0.00 N ATOM 256 CA VAL A 17 5.001 3.884 3.038 1.00 0.00 C ATOM 257 C VAL A 17 4.810 3.045 4.309 1.00 0.00 C ATOM 258 O VAL A 17 4.147 2.026 4.304 1.00 0.00 O ATOM 259 CB VAL A 17 6.415 3.650 2.488 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.710 2.147 2.429 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.522 4.243 1.082 1.00 0.00 C ATOM 0 H VAL A 17 5.670 5.904 3.221 1.00 0.00 H new ATOM 0 HA VAL A 17 4.257 3.589 2.297 1.00 0.00 H new ATOM 0 HB VAL A 17 7.138 4.133 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.715 1.989 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.639 1.723 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.986 1.659 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.526 4.076 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.795 3.762 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.322 5.314 1.122 1.00 0.00 H new ATOM 271 N GLN A 18 5.399 3.468 5.392 1.00 0.00 N ATOM 272 CA GLN A 18 5.278 2.695 6.662 1.00 0.00 C ATOM 273 C GLN A 18 3.800 2.495 7.014 1.00 0.00 C ATOM 274 O GLN A 18 3.376 1.416 7.385 1.00 0.00 O ATOM 275 CB GLN A 18 5.959 3.476 7.791 1.00 0.00 C ATOM 276 CG GLN A 18 5.890 2.666 9.088 1.00 0.00 C ATOM 277 CD GLN A 18 6.705 3.367 10.180 1.00 0.00 C ATOM 278 OE1 GLN A 18 7.535 4.207 9.896 1.00 0.00 O ATOM 279 NE2 GLN A 18 6.498 3.050 11.431 1.00 0.00 N ATOM 0 H GLN A 18 5.960 4.317 5.454 1.00 0.00 H new ATOM 0 HA GLN A 18 5.754 1.722 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.998 3.679 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.470 4.441 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.853 2.560 9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.277 1.661 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.801 2.345 11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.033 3.508 12.168 1.00 0.00 H new ATOM 288 N ILE A 19 3.013 3.527 6.897 1.00 0.00 N ATOM 289 CA ILE A 19 1.561 3.406 7.222 1.00 0.00 C ATOM 290 C ILE A 19 0.891 2.455 6.223 1.00 0.00 C ATOM 291 O ILE A 19 0.088 1.614 6.582 1.00 0.00 O ATOM 292 CB ILE A 19 0.905 4.785 7.129 1.00 0.00 C ATOM 293 CG1 ILE A 19 1.448 5.681 8.243 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.613 4.645 7.286 1.00 0.00 C ATOM 295 CD1 ILE A 19 1.017 7.128 8.000 1.00 0.00 C ATOM 0 H ILE A 19 3.312 4.453 6.590 1.00 0.00 H new ATOM 0 HA ILE A 19 1.445 3.013 8.232 1.00 0.00 H new ATOM 0 HB ILE A 19 1.130 5.228 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.078 5.339 9.210 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.536 5.617 8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.078 5.629 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.003 4.005 6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.839 4.202 8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.406 7.762 8.796 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.408 7.468 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.071 7.186 7.989 1.00 0.00 H new ATOM 307 N LEU A 20 1.213 2.595 4.970 1.00 0.00 N ATOM 308 CA LEU A 20 0.605 1.715 3.927 1.00 0.00 C ATOM 309 C LEU A 20 1.026 0.262 4.160 1.00 0.00 C ATOM 310 O LEU A 20 0.238 -0.656 4.033 1.00 0.00 O ATOM 311 CB LEU A 20 1.084 2.167 2.548 1.00 0.00 C ATOM 312 CG LEU A 20 0.483 3.539 2.209 1.00 0.00 C ATOM 313 CD1 LEU A 20 1.151 4.094 0.943 1.00 0.00 C ATOM 314 CD2 LEU A 20 -1.040 3.419 1.982 1.00 0.00 C ATOM 0 H LEU A 20 1.876 3.285 4.617 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.481 1.785 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.172 2.223 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.791 1.436 1.794 1.00 0.00 H new ATOM 0 HG LEU A 20 0.661 4.217 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.724 5.068 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.222 4.200 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.982 3.409 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.451 4.400 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.232 2.734 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.514 3.038 2.887 1.00 0.00 H new ATOM 326 N ARG A 21 2.266 0.053 4.499 1.00 0.00 N ATOM 327 CA ARG A 21 2.756 -1.337 4.742 1.00 0.00 C ATOM 328 C ARG A 21 2.003 -1.951 5.926 1.00 0.00 C ATOM 329 O ARG A 21 1.642 -3.113 5.915 1.00 0.00 O ATOM 330 CB ARG A 21 4.254 -1.296 5.062 1.00 0.00 C ATOM 331 CG ARG A 21 5.045 -0.978 3.790 1.00 0.00 C ATOM 332 CD ARG A 21 6.531 -0.817 4.132 1.00 0.00 C ATOM 333 NE ARG A 21 7.072 -2.109 4.644 1.00 0.00 N ATOM 334 CZ ARG A 21 7.555 -3.008 3.824 1.00 0.00 C ATOM 335 NH1 ARG A 21 7.591 -2.780 2.538 1.00 0.00 N ATOM 336 NH2 ARG A 21 8.010 -4.134 4.297 1.00 0.00 N ATOM 0 H ARG A 21 2.966 0.785 4.619 1.00 0.00 H new ATOM 0 HA ARG A 21 2.584 -1.942 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.453 -0.542 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.575 -2.254 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.914 -1.777 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.666 -0.064 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.086 -0.504 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.659 -0.036 4.881 1.00 0.00 H new ATOM 0 HE ARG A 21 7.066 -2.295 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.241 -1.897 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.969 -3.485 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.989 -4.311 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.387 -4.838 3.663 1.00 0.00 H new ATOM 350 N ASP A 22 1.763 -1.177 6.944 1.00 0.00 N ATOM 351 CA ASP A 22 1.034 -1.703 8.136 1.00 0.00 C ATOM 352 C ASP A 22 -0.387 -2.110 7.734 1.00 0.00 C ATOM 353 O ASP A 22 -0.902 -3.130 8.154 1.00 0.00 O ATOM 354 CB ASP A 22 0.953 -0.605 9.199 1.00 0.00 C ATOM 355 CG ASP A 22 2.332 -0.393 9.826 1.00 0.00 C ATOM 356 OD1 ASP A 22 3.187 -1.240 9.630 1.00 0.00 O ATOM 357 OD2 ASP A 22 2.510 0.616 10.491 1.00 0.00 O ATOM 0 H ASP A 22 2.040 -0.197 7.005 1.00 0.00 H new ATOM 0 HA ASP A 22 1.565 -2.570 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.600 0.324 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.232 -0.882 9.968 1.00 0.00 H new ATOM 362 N TRP A 23 -1.019 -1.310 6.925 1.00 0.00 N ATOM 363 CA TRP A 23 -2.410 -1.619 6.482 1.00 0.00 C ATOM 364 C TRP A 23 -2.401 -2.870 5.598 1.00 0.00 C ATOM 365 O TRP A 23 -3.265 -3.721 5.688 1.00 0.00 O ATOM 366 CB TRP A 23 -2.946 -0.436 5.677 1.00 0.00 C ATOM 367 CG TRP A 23 -4.400 -0.635 5.402 1.00 0.00 C ATOM 368 CD1 TRP A 23 -4.914 -1.157 4.266 1.00 0.00 C ATOM 369 CD2 TRP A 23 -5.535 -0.316 6.256 1.00 0.00 C ATOM 370 NE1 TRP A 23 -6.292 -1.186 4.372 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.723 -0.677 5.581 1.00 0.00 C ATOM 372 CE3 TRP A 23 -5.646 0.244 7.542 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -7.978 -0.490 6.160 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -6.908 0.435 8.128 1.00 0.00 C ATOM 375 CH2 TRP A 23 -8.071 0.067 7.438 1.00 0.00 C ATOM 0 H TRP A 23 -0.630 -0.446 6.547 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.043 -1.796 7.352 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.794 0.491 6.229 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.398 -0.343 4.740 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.342 -1.496 3.415 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.914 -1.540 3.646 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.755 0.529 8.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.872 -0.774 5.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.983 0.867 9.115 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.039 0.214 7.894 1.00 0.00 H new ATOM 386 N LEU A 24 -1.432 -2.972 4.736 1.00 0.00 N ATOM 387 CA LEU A 24 -1.355 -4.152 3.826 1.00 0.00 C ATOM 388 C LEU A 24 -1.156 -5.432 4.645 1.00 0.00 C ATOM 389 O LEU A 24 -1.762 -6.455 4.387 1.00 0.00 O ATOM 390 CB LEU A 24 -0.166 -3.975 2.870 1.00 0.00 C ATOM 391 CG LEU A 24 -0.031 -5.206 1.957 1.00 0.00 C ATOM 392 CD1 LEU A 24 -1.336 -5.421 1.173 1.00 0.00 C ATOM 393 CD2 LEU A 24 1.131 -4.989 0.979 1.00 0.00 C ATOM 0 H LEU A 24 -0.685 -2.287 4.620 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.282 -4.229 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.306 -3.079 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.752 -3.834 3.441 1.00 0.00 H new ATOM 0 HG LEU A 24 0.166 -6.088 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.234 -6.294 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.158 -5.580 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.543 -4.542 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.229 -5.860 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.935 -4.105 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.056 -4.847 1.538 1.00 0.00 H new ATOM 405 N TYR A 25 -0.299 -5.379 5.622 1.00 0.00 N ATOM 406 CA TYR A 25 -0.030 -6.585 6.462 1.00 0.00 C ATOM 407 C TYR A 25 -1.304 -6.995 7.208 1.00 0.00 C ATOM 408 O TYR A 25 -1.632 -8.162 7.313 1.00 0.00 O ATOM 409 CB TYR A 25 1.078 -6.248 7.475 1.00 0.00 C ATOM 410 CG TYR A 25 2.436 -6.497 6.855 1.00 0.00 C ATOM 411 CD1 TYR A 25 2.746 -5.951 5.603 1.00 0.00 C ATOM 412 CD2 TYR A 25 3.382 -7.282 7.528 1.00 0.00 C ATOM 413 CE1 TYR A 25 3.995 -6.194 5.025 1.00 0.00 C ATOM 414 CE2 TYR A 25 4.632 -7.520 6.950 1.00 0.00 C ATOM 415 CZ TYR A 25 4.939 -6.977 5.699 1.00 0.00 C ATOM 416 OH TYR A 25 6.170 -7.215 5.126 1.00 0.00 O ATOM 0 H TYR A 25 0.233 -4.548 5.880 1.00 0.00 H new ATOM 0 HA TYR A 25 0.288 -7.412 5.827 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.995 -5.206 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.961 -6.857 8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.020 -5.342 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.145 -7.703 8.494 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.232 -5.777 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.361 -8.124 7.470 1.00 0.00 H new ATOM 0 HH TYR A 25 6.707 -7.775 5.725 1.00 0.00 H new ATOM 426 N GLU A 26 -2.012 -6.040 7.736 1.00 0.00 N ATOM 427 CA GLU A 26 -3.260 -6.362 8.490 1.00 0.00 C ATOM 428 C GLU A 26 -4.337 -6.874 7.529 1.00 0.00 C ATOM 429 O GLU A 26 -5.075 -7.792 7.833 1.00 0.00 O ATOM 430 CB GLU A 26 -3.764 -5.097 9.185 1.00 0.00 C ATOM 431 CG GLU A 26 -2.786 -4.704 10.293 1.00 0.00 C ATOM 432 CD GLU A 26 -3.236 -3.394 10.946 1.00 0.00 C ATOM 433 OE1 GLU A 26 -4.239 -2.851 10.513 1.00 0.00 O ATOM 434 OE2 GLU A 26 -2.569 -2.958 11.871 1.00 0.00 O ATOM 0 H GLU A 26 -1.783 -5.048 7.680 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.045 -7.134 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.859 -4.285 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.756 -5.269 9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.735 -5.495 11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.783 -4.589 9.881 1.00 0.00 H new ATOM 441 N HIS A 27 -4.429 -6.285 6.370 1.00 0.00 N ATOM 442 CA HIS A 27 -5.453 -6.721 5.373 1.00 0.00 C ATOM 443 C HIS A 27 -4.815 -7.717 4.402 1.00 0.00 C ATOM 444 O HIS A 27 -5.220 -7.848 3.264 1.00 0.00 O ATOM 445 CB HIS A 27 -5.965 -5.498 4.612 1.00 0.00 C ATOM 446 CG HIS A 27 -6.754 -4.624 5.550 1.00 0.00 C ATOM 447 ND1 HIS A 27 -8.057 -4.924 5.915 1.00 0.00 N ATOM 448 CD2 HIS A 27 -6.437 -3.463 6.212 1.00 0.00 C ATOM 449 CE1 HIS A 27 -8.474 -3.964 6.761 1.00 0.00 C ATOM 450 NE2 HIS A 27 -7.526 -3.049 6.975 1.00 0.00 N ATOM 0 H HIS A 27 -3.835 -5.514 6.066 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.290 -7.202 5.880 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.128 -4.939 4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.590 -5.811 3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.489 -2.950 6.150 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.455 -3.937 7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.586 -2.223 7.570 1.00 0.00 H new ATOM 458 N ARG A 28 -3.819 -8.425 4.860 1.00 0.00 N ATOM 459 CA ARG A 28 -3.134 -9.428 3.994 1.00 0.00 C ATOM 460 C ARG A 28 -4.090 -10.588 3.694 1.00 0.00 C ATOM 461 O ARG A 28 -4.110 -11.131 2.608 1.00 0.00 O ATOM 462 CB ARG A 28 -1.895 -9.960 4.725 1.00 0.00 C ATOM 463 CG ARG A 28 -2.312 -10.666 6.024 1.00 0.00 C ATOM 464 CD ARG A 28 -1.064 -11.066 6.824 1.00 0.00 C ATOM 465 NE ARG A 28 -0.336 -12.152 6.109 1.00 0.00 N ATOM 466 CZ ARG A 28 0.761 -12.663 6.612 1.00 0.00 C ATOM 467 NH1 ARG A 28 1.241 -12.219 7.743 1.00 0.00 N ATOM 468 NH2 ARG A 28 1.380 -13.619 5.977 1.00 0.00 N ATOM 0 H ARG A 28 -3.447 -8.351 5.807 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.835 -8.959 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.354 -10.654 4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.215 -9.138 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.942 -10.006 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.906 -11.550 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.412 -10.203 6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.351 -11.402 7.820 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.695 -12.501 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.761 -11.469 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.095 -12.622 8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.010 -13.966 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.234 -14.019 6.365 1.00 0.00 H new ATOM 482 N TYR A 29 -4.881 -10.970 4.660 1.00 0.00 N ATOM 483 CA TYR A 29 -5.837 -12.096 4.451 1.00 0.00 C ATOM 484 C TYR A 29 -7.128 -11.558 3.826 1.00 0.00 C ATOM 485 O TYR A 29 -7.983 -12.305 3.392 1.00 0.00 O ATOM 486 CB TYR A 29 -6.156 -12.739 5.803 1.00 0.00 C ATOM 487 CG TYR A 29 -4.884 -13.266 6.432 1.00 0.00 C ATOM 488 CD1 TYR A 29 -4.197 -14.325 5.829 1.00 0.00 C ATOM 489 CD2 TYR A 29 -4.395 -12.703 7.623 1.00 0.00 C ATOM 490 CE1 TYR A 29 -3.023 -14.822 6.409 1.00 0.00 C ATOM 491 CE2 TYR A 29 -3.221 -13.201 8.201 1.00 0.00 C ATOM 492 CZ TYR A 29 -2.534 -14.260 7.594 1.00 0.00 C ATOM 493 OH TYR A 29 -1.378 -14.750 8.165 1.00 0.00 O ATOM 0 H TYR A 29 -4.906 -10.549 5.589 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.394 -12.837 3.786 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.623 -12.008 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.871 -13.551 5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.573 -14.760 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.924 -11.887 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.495 -15.640 5.941 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.845 -12.768 9.116 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.774 -15.067 7.461 1.00 0.00 H new ATOM 503 N ASN A 30 -7.266 -10.261 3.773 1.00 0.00 N ATOM 504 CA ASN A 30 -8.494 -9.653 3.172 1.00 0.00 C ATOM 505 C ASN A 30 -8.230 -9.342 1.695 1.00 0.00 C ATOM 506 O ASN A 30 -8.910 -9.831 0.813 1.00 0.00 O ATOM 507 CB ASN A 30 -8.820 -8.351 3.909 1.00 0.00 C ATOM 508 CG ASN A 30 -9.284 -8.665 5.332 1.00 0.00 C ATOM 509 OD1 ASN A 30 -9.797 -9.734 5.595 1.00 0.00 O ATOM 510 ND2 ASN A 30 -9.120 -7.771 6.271 1.00 0.00 N ATOM 0 H ASN A 30 -6.580 -9.591 4.121 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.330 -10.347 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.940 -7.708 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.598 -7.805 3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.423 -7.971 7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.689 -6.873 6.051 1.00 0.00 H new ATOM 517 N ALA A 31 -7.240 -8.529 1.432 1.00 0.00 N ATOM 518 CA ALA A 31 -6.895 -8.158 0.023 1.00 0.00 C ATOM 519 C ALA A 31 -8.173 -7.917 -0.795 1.00 0.00 C ATOM 520 O ALA A 31 -8.782 -8.831 -1.315 1.00 0.00 O ATOM 521 CB ALA A 31 -6.061 -9.272 -0.616 1.00 0.00 C ATOM 0 H ALA A 31 -6.647 -8.100 2.142 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.312 -7.237 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.812 -8.998 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.143 -9.413 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.633 -10.200 -0.617 1.00 0.00 H new ATOM 527 N TYR A 32 -8.568 -6.679 -0.913 1.00 0.00 N ATOM 528 CA TYR A 32 -9.798 -6.352 -1.693 1.00 0.00 C ATOM 529 C TYR A 32 -9.762 -4.878 -2.114 1.00 0.00 C ATOM 530 O TYR A 32 -10.511 -4.066 -1.613 1.00 0.00 O ATOM 531 CB TYR A 32 -11.039 -6.610 -0.831 1.00 0.00 C ATOM 532 CG TYR A 32 -11.021 -5.710 0.388 1.00 0.00 C ATOM 533 CD1 TYR A 32 -10.094 -5.939 1.413 1.00 0.00 C ATOM 534 CD2 TYR A 32 -11.940 -4.657 0.500 1.00 0.00 C ATOM 535 CE1 TYR A 32 -10.082 -5.114 2.545 1.00 0.00 C ATOM 536 CE2 TYR A 32 -11.926 -3.832 1.631 1.00 0.00 C ATOM 537 CZ TYR A 32 -11.000 -4.062 2.654 1.00 0.00 C ATOM 538 OH TYR A 32 -10.987 -3.251 3.770 1.00 0.00 O ATOM 0 H TYR A 32 -8.091 -5.876 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.840 -6.982 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.941 -6.427 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.066 -7.655 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.388 -6.752 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -12.659 -4.482 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.365 -5.289 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.630 -3.018 1.714 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.935 -2.313 3.492 1.00 0.00 H new ATOM 548 N PRO A 33 -8.893 -4.540 -3.035 1.00 0.00 N ATOM 549 CA PRO A 33 -8.754 -3.142 -3.546 1.00 0.00 C ATOM 550 C PRO A 33 -10.082 -2.572 -4.070 1.00 0.00 C ATOM 551 O PRO A 33 -10.819 -3.229 -4.782 1.00 0.00 O ATOM 552 CB PRO A 33 -7.722 -3.277 -4.680 1.00 0.00 C ATOM 553 CG PRO A 33 -6.943 -4.503 -4.335 1.00 0.00 C ATOM 554 CD PRO A 33 -7.940 -5.453 -3.681 1.00 0.00 C ATOM 0 HA PRO A 33 -8.449 -2.448 -2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.209 -3.377 -5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.077 -2.400 -4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.502 -4.950 -5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.123 -4.268 -3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.429 -6.093 -4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.457 -6.110 -2.958 1.00 0.00 H new ATOM 562 N SER A 34 -10.383 -1.352 -3.717 1.00 0.00 N ATOM 563 CA SER A 34 -11.655 -0.724 -4.180 1.00 0.00 C ATOM 564 C SER A 34 -11.589 0.794 -4.003 1.00 0.00 C ATOM 565 O SER A 34 -10.655 1.328 -3.435 1.00 0.00 O ATOM 566 CB SER A 34 -12.827 -1.273 -3.368 1.00 0.00 C ATOM 567 OG SER A 34 -12.883 -2.682 -3.523 1.00 0.00 O ATOM 0 H SER A 34 -9.800 -0.760 -3.125 1.00 0.00 H new ATOM 0 HA SER A 34 -11.797 -0.958 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.708 -1.015 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.760 -0.821 -3.703 1.00 0.00 H new ATOM 0 HG SER A 34 -12.445 -2.936 -4.362 1.00 0.00 H new ATOM 573 N GLU A 35 -12.584 1.486 -4.483 1.00 0.00 N ATOM 574 CA GLU A 35 -12.611 2.972 -4.353 1.00 0.00 C ATOM 575 C GLU A 35 -12.669 3.353 -2.870 1.00 0.00 C ATOM 576 O GLU A 35 -12.006 4.268 -2.422 1.00 0.00 O ATOM 577 CB GLU A 35 -13.865 3.509 -5.053 1.00 0.00 C ATOM 578 CG GLU A 35 -13.800 5.036 -5.131 1.00 0.00 C ATOM 579 CD GLU A 35 -12.722 5.446 -6.135 1.00 0.00 C ATOM 580 OE1 GLU A 35 -12.196 4.569 -6.800 1.00 0.00 O ATOM 581 OE2 GLU A 35 -12.442 6.630 -6.223 1.00 0.00 O ATOM 0 H GLU A 35 -13.388 1.083 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.715 3.397 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.942 3.087 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.757 3.201 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.767 5.437 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.576 5.452 -4.149 1.00 0.00 H new ATOM 588 N GLN A 36 -13.465 2.653 -2.112 1.00 0.00 N ATOM 589 CA GLN A 36 -13.582 2.957 -0.655 1.00 0.00 C ATOM 590 C GLN A 36 -12.266 2.601 0.049 1.00 0.00 C ATOM 591 O GLN A 36 -11.791 3.317 0.910 1.00 0.00 O ATOM 592 CB GLN A 36 -14.713 2.118 -0.057 1.00 0.00 C ATOM 593 CG GLN A 36 -16.049 2.520 -0.688 1.00 0.00 C ATOM 594 CD GLN A 36 -16.395 3.959 -0.300 1.00 0.00 C ATOM 595 OE1 GLN A 36 -16.281 4.862 -1.105 1.00 0.00 O ATOM 596 NE2 GLN A 36 -16.816 4.214 0.910 1.00 0.00 N ATOM 0 H GLN A 36 -14.043 1.879 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.794 4.017 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.523 1.059 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.753 2.262 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.991 2.430 -1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.837 1.845 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.912 3.457 1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -17.049 5.170 1.178 1.00 0.00 H new ATOM 605 N GLU A 37 -11.681 1.491 -0.311 1.00 0.00 N ATOM 606 CA GLU A 37 -10.401 1.071 0.335 1.00 0.00 C ATOM 607 C GLU A 37 -9.280 2.041 -0.054 1.00 0.00 C ATOM 608 O GLU A 37 -8.546 2.533 0.780 1.00 0.00 O ATOM 609 CB GLU A 37 -10.035 -0.335 -0.151 1.00 0.00 C ATOM 610 CG GLU A 37 -8.831 -0.860 0.637 1.00 0.00 C ATOM 611 CD GLU A 37 -9.252 -1.146 2.078 1.00 0.00 C ATOM 612 OE1 GLU A 37 -10.438 -1.081 2.353 1.00 0.00 O ATOM 613 OE2 GLU A 37 -8.379 -1.423 2.884 1.00 0.00 O ATOM 0 H GLU A 37 -12.034 0.855 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.524 1.075 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.885 -1.006 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.803 -0.313 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.446 -1.768 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.024 -0.127 0.621 1.00 0.00 H new ATOM 620 N LYS A 38 -9.149 2.317 -1.322 1.00 0.00 N ATOM 621 CA LYS A 38 -8.083 3.254 -1.786 1.00 0.00 C ATOM 622 C LYS A 38 -8.371 4.660 -1.252 1.00 0.00 C ATOM 623 O LYS A 38 -7.481 5.382 -0.840 1.00 0.00 O ATOM 624 CB LYS A 38 -8.067 3.291 -3.316 1.00 0.00 C ATOM 625 CG LYS A 38 -7.589 1.944 -3.861 1.00 0.00 C ATOM 626 CD LYS A 38 -7.599 1.979 -5.392 1.00 0.00 C ATOM 627 CE LYS A 38 -7.182 0.611 -5.941 1.00 0.00 C ATOM 628 NZ LYS A 38 -5.817 0.272 -5.446 1.00 0.00 N ATOM 0 H LYS A 38 -9.737 1.933 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.116 2.912 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.065 3.513 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.410 4.088 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.584 1.729 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.236 1.144 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.594 2.239 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.918 2.750 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.894 -0.152 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.192 0.626 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.588 -0.709 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.122 0.915 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.788 0.373 -4.411 1.00 0.00 H new ATOM 642 N ALA A 39 -9.614 5.050 -1.263 1.00 0.00 N ATOM 643 CA ALA A 39 -9.984 6.406 -0.768 1.00 0.00 C ATOM 644 C ALA A 39 -9.640 6.519 0.718 1.00 0.00 C ATOM 645 O ALA A 39 -9.174 7.540 1.189 1.00 0.00 O ATOM 646 CB ALA A 39 -11.489 6.616 -0.955 1.00 0.00 C ATOM 0 H ALA A 39 -10.395 4.485 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.433 7.162 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.766 7.607 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.740 6.532 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.035 5.859 -0.391 1.00 0.00 H new ATOM 652 N LEU A 40 -9.868 5.472 1.460 1.00 0.00 N ATOM 653 CA LEU A 40 -9.561 5.510 2.918 1.00 0.00 C ATOM 654 C LEU A 40 -8.048 5.705 3.112 1.00 0.00 C ATOM 655 O LEU A 40 -7.600 6.520 3.895 1.00 0.00 O ATOM 656 CB LEU A 40 -9.991 4.177 3.556 1.00 0.00 C ATOM 657 CG LEU A 40 -10.253 4.369 5.057 1.00 0.00 C ATOM 658 CD1 LEU A 40 -10.812 3.072 5.652 1.00 0.00 C ATOM 659 CD2 LEU A 40 -8.951 4.759 5.781 1.00 0.00 C ATOM 0 H LEU A 40 -10.254 4.591 1.120 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.098 6.333 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.891 3.805 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.214 3.427 3.408 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.980 5.170 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.997 3.211 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.746 2.815 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.091 2.267 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.152 4.892 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.210 3.971 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.568 5.691 5.365 1.00 0.00 H new ATOM 671 N LEU A 41 -7.266 4.955 2.391 1.00 0.00 N ATOM 672 CA LEU A 41 -5.782 5.068 2.515 1.00 0.00 C ATOM 673 C LEU A 41 -5.334 6.453 2.051 1.00 0.00 C ATOM 674 O LEU A 41 -4.465 7.072 2.635 1.00 0.00 O ATOM 675 CB LEU A 41 -5.119 4.009 1.633 1.00 0.00 C ATOM 676 CG LEU A 41 -5.414 2.608 2.190 1.00 0.00 C ATOM 677 CD1 LEU A 41 -4.949 1.550 1.180 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.686 2.398 3.534 1.00 0.00 C ATOM 0 H LEU A 41 -7.590 4.263 1.716 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.494 4.919 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.490 4.090 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.043 4.176 1.595 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.487 2.512 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.157 0.555 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.481 1.687 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.878 1.656 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.906 1.401 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.611 2.501 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.026 3.144 4.252 1.00 0.00 H new ATOM 690 N SER A 42 -5.927 6.939 1.000 1.00 0.00 N ATOM 691 CA SER A 42 -5.543 8.279 0.468 1.00 0.00 C ATOM 692 C SER A 42 -5.829 9.353 1.526 1.00 0.00 C ATOM 693 O SER A 42 -5.070 10.286 1.705 1.00 0.00 O ATOM 694 CB SER A 42 -6.362 8.570 -0.791 1.00 0.00 C ATOM 695 OG SER A 42 -7.745 8.539 -0.475 1.00 0.00 O ATOM 0 H SER A 42 -6.666 6.465 0.481 1.00 0.00 H new ATOM 0 HA SER A 42 -4.480 8.288 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.092 9.546 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.138 7.833 -1.562 1.00 0.00 H new ATOM 0 HG SER A 42 -7.881 8.023 0.347 1.00 0.00 H new ATOM 701 N GLN A 43 -6.917 9.214 2.228 1.00 0.00 N ATOM 702 CA GLN A 43 -7.266 10.212 3.284 1.00 0.00 C ATOM 703 C GLN A 43 -6.245 10.141 4.424 1.00 0.00 C ATOM 704 O GLN A 43 -5.841 11.143 4.982 1.00 0.00 O ATOM 705 CB GLN A 43 -8.655 9.883 3.834 1.00 0.00 C ATOM 706 CG GLN A 43 -9.721 10.246 2.798 1.00 0.00 C ATOM 707 CD GLN A 43 -9.795 11.766 2.650 1.00 0.00 C ATOM 708 OE1 GLN A 43 -9.971 12.474 3.621 1.00 0.00 O ATOM 709 NE2 GLN A 43 -9.662 12.301 1.468 1.00 0.00 N ATOM 0 H GLN A 43 -7.584 8.450 2.118 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.257 11.214 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.718 8.823 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.830 10.434 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.481 9.788 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.690 9.853 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.514 11.706 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.706 13.314 1.359 1.00 0.00 H new ATOM 718 N GLN A 44 -5.830 8.957 4.773 1.00 0.00 N ATOM 719 CA GLN A 44 -4.843 8.801 5.879 1.00 0.00 C ATOM 720 C GLN A 44 -3.511 9.454 5.491 1.00 0.00 C ATOM 721 O GLN A 44 -2.890 10.142 6.281 1.00 0.00 O ATOM 722 CB GLN A 44 -4.617 7.308 6.137 1.00 0.00 C ATOM 723 CG GLN A 44 -5.885 6.699 6.738 1.00 0.00 C ATOM 724 CD GLN A 44 -5.708 5.188 6.911 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.210 4.515 6.031 1.00 0.00 O ATOM 726 NE2 GLN A 44 -6.102 4.623 8.020 1.00 0.00 N ATOM 0 H GLN A 44 -6.133 8.085 4.338 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.228 9.284 6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.363 6.801 5.206 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.776 7.168 6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.099 7.161 7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.738 6.902 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.520 5.188 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.992 3.617 8.147 1.00 0.00 H new ATOM 735 N THR A 45 -3.063 9.239 4.282 1.00 0.00 N ATOM 736 CA THR A 45 -1.769 9.829 3.833 1.00 0.00 C ATOM 737 C THR A 45 -2.024 11.087 3.004 1.00 0.00 C ATOM 738 O THR A 45 -3.137 11.384 2.613 1.00 0.00 O ATOM 739 CB THR A 45 -1.016 8.806 2.978 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.744 8.561 1.783 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.856 7.502 3.761 1.00 0.00 C ATOM 0 H THR A 45 -3.543 8.675 3.581 1.00 0.00 H new ATOM 0 HA THR A 45 -1.175 10.092 4.708 1.00 0.00 H new ATOM 0 HB THR A 45 -0.030 9.197 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.545 8.035 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.320 6.775 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.294 7.693 4.675 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.840 7.107 4.015 1.00 0.00 H new ATOM 749 N HIS A 46 -0.983 11.818 2.734 1.00 0.00 N ATOM 750 CA HIS A 46 -1.112 13.068 1.926 1.00 0.00 C ATOM 751 C HIS A 46 -0.791 12.762 0.461 1.00 0.00 C ATOM 752 O HIS A 46 -0.284 13.597 -0.261 1.00 0.00 O ATOM 753 CB HIS A 46 -0.138 14.129 2.457 1.00 0.00 C ATOM 754 CG HIS A 46 1.288 13.643 2.350 1.00 0.00 C ATOM 755 ND1 HIS A 46 1.821 12.707 3.224 1.00 0.00 N ATOM 756 CD2 HIS A 46 2.308 13.975 1.493 1.00 0.00 C ATOM 757 CE1 HIS A 46 3.108 12.514 2.878 1.00 0.00 C ATOM 758 NE2 HIS A 46 3.455 13.264 1.829 1.00 0.00 N ATOM 0 H HIS A 46 -0.034 11.603 3.041 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.131 13.446 2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.256 15.054 1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.373 14.358 3.496 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.231 14.682 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.777 11.836 3.386 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.366 13.306 1.372 1.00 0.00 H new ATOM 766 N LEU A 47 -1.086 11.565 0.020 1.00 0.00 N ATOM 767 CA LEU A 47 -0.801 11.175 -1.402 1.00 0.00 C ATOM 768 C LEU A 47 -2.114 11.006 -2.167 1.00 0.00 C ATOM 769 O LEU A 47 -3.153 10.729 -1.600 1.00 0.00 O ATOM 770 CB LEU A 47 -0.026 9.860 -1.431 1.00 0.00 C ATOM 771 CG LEU A 47 1.249 9.991 -0.591 1.00 0.00 C ATOM 772 CD1 LEU A 47 1.998 8.656 -0.599 1.00 0.00 C ATOM 773 CD2 LEU A 47 2.151 11.090 -1.174 1.00 0.00 C ATOM 0 H LEU A 47 -1.515 10.833 0.586 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.206 11.958 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.647 9.053 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.229 9.600 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 47 0.981 10.257 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.906 8.745 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.361 7.879 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.261 8.393 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.055 11.177 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.421 10.834 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.618 12.040 -1.167 1.00 0.00 H new ATOM 785 N SER A 48 -2.059 11.187 -3.456 1.00 0.00 N ATOM 786 CA SER A 48 -3.282 11.059 -4.296 1.00 0.00 C ATOM 787 C SER A 48 -3.645 9.585 -4.489 1.00 0.00 C ATOM 788 O SER A 48 -2.867 8.692 -4.218 1.00 0.00 O ATOM 789 CB SER A 48 -3.023 11.708 -5.659 1.00 0.00 C ATOM 790 OG SER A 48 -2.336 10.791 -6.503 1.00 0.00 O ATOM 0 H SER A 48 -1.209 11.421 -3.969 1.00 0.00 H new ATOM 0 HA SER A 48 -4.112 11.559 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.967 12.003 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.432 12.615 -5.534 1.00 0.00 H new ATOM 0 HG SER A 48 -2.173 11.208 -7.375 1.00 0.00 H new ATOM 796 N THR A 49 -4.832 9.341 -4.965 1.00 0.00 N ATOM 797 CA THR A 49 -5.286 7.941 -5.194 1.00 0.00 C ATOM 798 C THR A 49 -4.395 7.276 -6.244 1.00 0.00 C ATOM 799 O THR A 49 -3.997 6.134 -6.115 1.00 0.00 O ATOM 800 CB THR A 49 -6.730 7.963 -5.705 1.00 0.00 C ATOM 801 OG1 THR A 49 -7.573 8.541 -4.719 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.194 6.535 -6.002 1.00 0.00 C ATOM 0 H THR A 49 -5.515 10.059 -5.208 1.00 0.00 H new ATOM 0 HA THR A 49 -5.227 7.381 -4.261 1.00 0.00 H new ATOM 0 HB THR A 49 -6.780 8.555 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.496 8.557 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.222 6.554 -6.365 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.549 6.093 -6.762 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.142 5.939 -5.091 1.00 0.00 H new ATOM 810 N LEU A 50 -4.088 7.991 -7.288 1.00 0.00 N ATOM 811 CA LEU A 50 -3.233 7.418 -8.366 1.00 0.00 C ATOM 812 C LEU A 50 -1.853 7.054 -7.806 1.00 0.00 C ATOM 813 O LEU A 50 -1.291 6.022 -8.124 1.00 0.00 O ATOM 814 CB LEU A 50 -3.063 8.464 -9.479 1.00 0.00 C ATOM 815 CG LEU A 50 -2.093 7.945 -10.554 1.00 0.00 C ATOM 816 CD1 LEU A 50 -2.586 6.595 -11.092 1.00 0.00 C ATOM 817 CD2 LEU A 50 -2.020 8.959 -11.702 1.00 0.00 C ATOM 0 H LEU A 50 -4.393 8.952 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.707 6.520 -8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.030 8.687 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.685 9.396 -9.058 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.103 7.815 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.895 6.232 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.637 5.875 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.576 6.718 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.333 8.595 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.011 9.088 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.664 9.916 -11.320 1.00 0.00 H new ATOM 829 N GLN A 51 -1.302 7.901 -6.985 1.00 0.00 N ATOM 830 CA GLN A 51 0.047 7.623 -6.410 1.00 0.00 C ATOM 831 C GLN A 51 -0.011 6.374 -5.526 1.00 0.00 C ATOM 832 O GLN A 51 0.833 5.501 -5.596 1.00 0.00 O ATOM 833 CB GLN A 51 0.474 8.815 -5.552 1.00 0.00 C ATOM 834 CG GLN A 51 0.721 10.035 -6.440 1.00 0.00 C ATOM 835 CD GLN A 51 1.964 9.799 -7.298 1.00 0.00 C ATOM 836 OE1 GLN A 51 1.959 10.066 -8.483 1.00 0.00 O ATOM 837 NE2 GLN A 51 3.038 9.305 -6.745 1.00 0.00 N ATOM 0 H GLN A 51 -1.727 8.778 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 51 0.759 7.462 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.299 9.040 -4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.380 8.569 -4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.145 10.215 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.855 10.925 -5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.042 9.081 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.873 9.143 -7.308 1.00 0.00 H new ATOM 846 N VAL A 52 -1.006 6.296 -4.690 1.00 0.00 N ATOM 847 CA VAL A 52 -1.145 5.119 -3.782 1.00 0.00 C ATOM 848 C VAL A 52 -1.427 3.854 -4.602 1.00 0.00 C ATOM 849 O VAL A 52 -0.884 2.797 -4.347 1.00 0.00 O ATOM 850 CB VAL A 52 -2.306 5.366 -2.815 1.00 0.00 C ATOM 851 CG1 VAL A 52 -2.568 4.103 -1.993 1.00 0.00 C ATOM 852 CG2 VAL A 52 -1.949 6.521 -1.878 1.00 0.00 C ATOM 0 H VAL A 52 -1.736 7.001 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.219 4.983 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.202 5.619 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.395 4.281 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.823 3.280 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.673 3.846 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.774 6.699 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.052 6.267 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.766 7.422 -2.464 1.00 0.00 H new ATOM 862 N CYS A 53 -2.288 3.957 -5.575 1.00 0.00 N ATOM 863 CA CYS A 53 -2.633 2.767 -6.410 1.00 0.00 C ATOM 864 C CYS A 53 -1.384 2.232 -7.127 1.00 0.00 C ATOM 865 O CYS A 53 -1.142 1.041 -7.173 1.00 0.00 O ATOM 866 CB CYS A 53 -3.687 3.172 -7.452 1.00 0.00 C ATOM 867 SG CYS A 53 -4.783 1.773 -7.789 1.00 0.00 S ATOM 0 H CYS A 53 -2.772 4.818 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.027 1.983 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.266 4.020 -7.086 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.198 3.493 -8.372 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.674 2.122 -8.669 1.00 0.00 H new ATOM 873 N ASN A 54 -0.600 3.105 -7.692 1.00 0.00 N ATOM 874 CA ASN A 54 0.623 2.644 -8.418 1.00 0.00 C ATOM 875 C ASN A 54 1.582 1.980 -7.427 1.00 0.00 C ATOM 876 O ASN A 54 2.151 0.936 -7.688 1.00 0.00 O ATOM 877 CB ASN A 54 1.318 3.849 -9.056 1.00 0.00 C ATOM 878 CG ASN A 54 0.460 4.397 -10.199 1.00 0.00 C ATOM 879 OD1 ASN A 54 0.776 5.420 -10.775 1.00 0.00 O ATOM 880 ND2 ASN A 54 -0.622 3.761 -10.549 1.00 0.00 N ATOM 0 H ASN A 54 -0.749 4.114 -7.685 1.00 0.00 H new ATOM 0 HA ASN A 54 0.339 1.930 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.481 4.624 -8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.299 3.558 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.203 4.121 -11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.888 2.903 -10.066 1.00 0.00 H new ATOM 887 N TRP A 55 1.748 2.579 -6.283 1.00 0.00 N ATOM 888 CA TRP A 55 2.651 2.002 -5.243 1.00 0.00 C ATOM 889 C TRP A 55 2.032 0.708 -4.703 1.00 0.00 C ATOM 890 O TRP A 55 2.711 -0.259 -4.427 1.00 0.00 O ATOM 891 CB TRP A 55 2.819 3.012 -4.106 1.00 0.00 C ATOM 892 CG TRP A 55 3.528 2.374 -2.950 1.00 0.00 C ATOM 893 CD1 TRP A 55 4.858 2.450 -2.716 1.00 0.00 C ATOM 894 CD2 TRP A 55 2.968 1.568 -1.874 1.00 0.00 C ATOM 895 NE1 TRP A 55 5.150 1.748 -1.561 1.00 0.00 N ATOM 896 CE2 TRP A 55 4.019 1.184 -1.006 1.00 0.00 C ATOM 897 CE3 TRP A 55 1.664 1.138 -1.566 1.00 0.00 C ATOM 898 CZ2 TRP A 55 3.786 0.402 0.124 1.00 0.00 C ATOM 899 CZ3 TRP A 55 1.428 0.350 -0.428 1.00 0.00 C ATOM 900 CH2 TRP A 55 2.485 -0.018 0.414 1.00 0.00 C ATOM 0 H TRP A 55 1.293 3.453 -6.019 1.00 0.00 H new ATOM 0 HA TRP A 55 3.627 1.782 -5.676 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.384 3.876 -4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.843 3.378 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.575 2.974 -3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 55 6.087 1.658 -1.167 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.841 1.415 -2.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.605 0.123 0.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.424 0.025 -0.200 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.295 -0.626 1.286 1.00 0.00 H new ATOM 911 N PHE A 56 0.737 0.700 -4.549 1.00 0.00 N ATOM 912 CA PHE A 56 0.041 -0.509 -4.024 1.00 0.00 C ATOM 913 C PHE A 56 0.300 -1.702 -4.949 1.00 0.00 C ATOM 914 O PHE A 56 0.579 -2.800 -4.507 1.00 0.00 O ATOM 915 CB PHE A 56 -1.465 -0.239 -3.974 1.00 0.00 C ATOM 916 CG PHE A 56 -2.181 -1.443 -3.411 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.231 -1.643 -2.028 1.00 0.00 C ATOM 918 CD2 PHE A 56 -2.798 -2.360 -4.272 1.00 0.00 C ATOM 919 CE1 PHE A 56 -2.892 -2.760 -1.503 1.00 0.00 C ATOM 920 CE2 PHE A 56 -3.460 -3.477 -3.748 1.00 0.00 C ATOM 921 CZ PHE A 56 -3.507 -3.676 -2.363 1.00 0.00 C ATOM 0 H PHE A 56 0.125 1.487 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 56 0.417 -0.734 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.667 0.637 -3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.838 -0.017 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.759 -0.935 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.763 -2.205 -5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.927 -2.914 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.934 -4.185 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.018 -4.537 -1.958 1.00 0.00 H new ATOM 931 N ILE A 57 0.202 -1.491 -6.232 1.00 0.00 N ATOM 932 CA ILE A 57 0.432 -2.610 -7.195 1.00 0.00 C ATOM 933 C ILE A 57 1.880 -3.102 -7.079 1.00 0.00 C ATOM 934 O ILE A 57 2.148 -4.287 -7.028 1.00 0.00 O ATOM 935 CB ILE A 57 0.195 -2.101 -8.623 1.00 0.00 C ATOM 936 CG1 ILE A 57 -1.288 -1.773 -8.813 1.00 0.00 C ATOM 937 CG2 ILE A 57 0.614 -3.176 -9.630 1.00 0.00 C ATOM 938 CD1 ILE A 57 -1.488 -1.028 -10.136 1.00 0.00 C ATOM 0 H ILE A 57 -0.027 -0.593 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.252 -3.428 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 57 0.789 -1.202 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.876 -2.691 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.644 -1.162 -7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.444 -2.811 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.672 -3.405 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.025 -4.078 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.545 -0.797 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.913 -0.102 -10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.149 -1.654 -10.961 1.00 0.00 H new ATOM 950 N ASN A 58 2.813 -2.194 -7.039 1.00 0.00 N ATOM 951 CA ASN A 58 4.246 -2.595 -6.934 1.00 0.00 C ATOM 952 C ASN A 58 4.527 -3.171 -5.538 1.00 0.00 C ATOM 953 O ASN A 58 5.153 -4.206 -5.387 1.00 0.00 O ATOM 954 CB ASN A 58 5.119 -1.358 -7.152 1.00 0.00 C ATOM 955 CG ASN A 58 6.592 -1.726 -6.982 1.00 0.00 C ATOM 956 OD1 ASN A 58 7.073 -2.654 -7.603 1.00 0.00 O ATOM 957 ND2 ASN A 58 7.336 -1.035 -6.162 1.00 0.00 N ATOM 0 H ASN A 58 2.646 -1.188 -7.074 1.00 0.00 H new ATOM 0 HA ASN A 58 4.469 -3.353 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.949 -0.953 -8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.845 -0.579 -6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.320 -1.274 -6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.933 -0.256 -5.641 1.00 0.00 H new ATOM 964 N ALA A 59 4.063 -2.502 -4.522 1.00 0.00 N ATOM 965 CA ALA A 59 4.292 -2.980 -3.127 1.00 0.00 C ATOM 966 C ALA A 59 3.621 -4.341 -2.922 1.00 0.00 C ATOM 967 O ALA A 59 4.200 -5.256 -2.374 1.00 0.00 O ATOM 968 CB ALA A 59 3.680 -1.976 -2.149 1.00 0.00 C ATOM 0 H ALA A 59 3.529 -1.636 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 59 5.364 -3.075 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.843 -2.318 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.150 -1.002 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.610 -1.891 -2.337 1.00 0.00 H new ATOM 974 N ARG A 60 2.398 -4.469 -3.350 1.00 0.00 N ATOM 975 CA ARG A 60 1.673 -5.761 -3.176 1.00 0.00 C ATOM 976 C ARG A 60 2.363 -6.860 -3.995 1.00 0.00 C ATOM 977 O ARG A 60 2.551 -7.968 -3.539 1.00 0.00 O ATOM 978 CB ARG A 60 0.232 -5.598 -3.674 1.00 0.00 C ATOM 979 CG ARG A 60 -0.557 -6.885 -3.398 1.00 0.00 C ATOM 980 CD ARG A 60 -1.980 -6.750 -3.947 1.00 0.00 C ATOM 981 NE ARG A 60 -1.935 -6.614 -5.432 1.00 0.00 N ATOM 982 CZ ARG A 60 -1.864 -7.675 -6.197 1.00 0.00 C ATOM 983 NH1 ARG A 60 -1.830 -8.868 -5.671 1.00 0.00 N ATOM 984 NH2 ARG A 60 -1.834 -7.534 -7.493 1.00 0.00 N ATOM 0 H ARG A 60 1.866 -3.733 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 60 1.677 -6.038 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.243 -4.754 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.228 -5.379 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.057 -7.735 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.588 -7.080 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.571 -7.623 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.469 -5.881 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.960 -5.686 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.859 -8.980 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.775 -9.689 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.866 -6.602 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.779 -8.356 -8.094 1.00 0.00 H new ATOM 998 N ARG A 61 2.732 -6.558 -5.205 1.00 0.00 N ATOM 999 CA ARG A 61 3.394 -7.579 -6.070 1.00 0.00 C ATOM 1000 C ARG A 61 4.804 -7.879 -5.553 1.00 0.00 C ATOM 1001 O ARG A 61 5.433 -8.831 -5.969 1.00 0.00 O ATOM 1002 CB ARG A 61 3.473 -7.050 -7.505 1.00 0.00 C ATOM 1003 CG ARG A 61 3.831 -8.195 -8.460 1.00 0.00 C ATOM 1004 CD ARG A 61 3.784 -7.696 -9.911 1.00 0.00 C ATOM 1005 NE ARG A 61 4.836 -6.663 -10.123 1.00 0.00 N ATOM 1006 CZ ARG A 61 4.925 -6.024 -11.263 1.00 0.00 C ATOM 1007 NH1 ARG A 61 4.087 -6.281 -12.232 1.00 0.00 N ATOM 1008 NH2 ARG A 61 5.851 -5.123 -11.429 1.00 0.00 N ATOM 0 H ARG A 61 2.604 -5.643 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 61 2.810 -8.499 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.519 -6.609 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.222 -6.261 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.826 -8.576 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.134 -9.023 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.936 -8.529 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.801 -7.278 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 61 5.494 -6.451 -9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.358 -6.983 -12.103 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.162 -5.780 -13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.504 -4.917 -10.673 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.923 -4.623 -12.315 1.00 0.00 H new ATOM 1022 N ARG A 62 5.306 -7.071 -4.656 1.00 0.00 N ATOM 1023 CA ARG A 62 6.684 -7.298 -4.106 1.00 0.00 C ATOM 1024 C ARG A 62 6.592 -7.790 -2.656 1.00 0.00 C ATOM 1025 O ARG A 62 7.502 -8.411 -2.142 1.00 0.00 O ATOM 1026 CB ARG A 62 7.458 -5.981 -4.136 1.00 0.00 C ATOM 1027 CG ARG A 62 8.902 -6.224 -3.681 1.00 0.00 C ATOM 1028 CD ARG A 62 9.694 -4.914 -3.753 1.00 0.00 C ATOM 1029 NE ARG A 62 9.855 -4.509 -5.178 1.00 0.00 N ATOM 1030 CZ ARG A 62 10.389 -3.356 -5.490 1.00 0.00 C ATOM 1031 NH1 ARG A 62 10.783 -2.534 -4.556 1.00 0.00 N ATOM 1032 NH2 ARG A 62 10.526 -3.026 -6.744 1.00 0.00 N ATOM 0 H ARG A 62 4.821 -6.258 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 62 7.194 -8.047 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.448 -5.564 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.979 -5.251 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.912 -6.611 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.370 -6.979 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.176 -4.132 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.671 -5.041 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 62 9.545 -5.138 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.676 -2.789 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.198 -1.637 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.217 -3.666 -7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.942 -2.128 -6.993 1.00 0.00 H new ATOM 1046 N LEU A 63 5.508 -7.498 -1.985 1.00 0.00 N ATOM 1047 CA LEU A 63 5.350 -7.922 -0.552 1.00 0.00 C ATOM 1048 C LEU A 63 4.367 -9.092 -0.440 1.00 0.00 C ATOM 1049 O LEU A 63 4.425 -9.883 0.482 1.00 0.00 O ATOM 1050 CB LEU A 63 4.809 -6.735 0.245 1.00 0.00 C ATOM 1051 CG LEU A 63 5.817 -5.577 0.197 1.00 0.00 C ATOM 1052 CD1 LEU A 63 5.206 -4.338 0.866 1.00 0.00 C ATOM 1053 CD2 LEU A 63 7.116 -5.972 0.927 1.00 0.00 C ATOM 0 H LEU A 63 4.717 -6.980 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 63 6.316 -8.242 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.852 -6.414 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.629 -7.030 1.279 1.00 0.00 H new ATOM 0 HG LEU A 63 6.051 -5.353 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.921 -3.516 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.297 -4.050 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.965 -4.567 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.823 -5.143 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.892 -6.207 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.553 -6.846 0.444 1.00 0.00 H new ATOM 1065 N LEU A 64 3.459 -9.200 -1.364 1.00 0.00 N ATOM 1066 CA LEU A 64 2.458 -10.304 -1.306 1.00 0.00 C ATOM 1067 C LEU A 64 3.096 -11.663 -1.653 1.00 0.00 C ATOM 1068 O LEU A 64 2.714 -12.675 -1.100 1.00 0.00 O ATOM 1069 CB LEU A 64 1.313 -10.011 -2.287 1.00 0.00 C ATOM 1070 CG LEU A 64 0.131 -10.960 -2.014 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.790 -10.354 -0.951 1.00 0.00 C ATOM 1072 CD2 LEU A 64 -0.664 -11.181 -3.309 1.00 0.00 C ATOM 0 H LEU A 64 3.364 -8.571 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 64 2.075 -10.359 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.990 -8.975 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.661 -10.135 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 64 0.518 -11.914 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.624 -11.031 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.230 -10.203 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.173 -9.396 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.500 -11.853 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.044 -10.225 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.014 -11.622 -4.064 1.00 0.00 H new ATOM 1084 N PRO A 65 4.047 -11.706 -2.559 1.00 0.00 N ATOM 1085 CA PRO A 65 4.699 -12.990 -2.954 1.00 0.00 C ATOM 1086 C PRO A 65 5.421 -13.655 -1.771 1.00 0.00 C ATOM 1087 O PRO A 65 5.176 -14.798 -1.435 1.00 0.00 O ATOM 1088 CB PRO A 65 5.721 -12.581 -4.038 1.00 0.00 C ATOM 1089 CG PRO A 65 5.329 -11.202 -4.472 1.00 0.00 C ATOM 1090 CD PRO A 65 4.610 -10.563 -3.289 1.00 0.00 C ATOM 0 HA PRO A 65 3.968 -13.719 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.736 -12.592 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.699 -13.276 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.207 -10.620 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.679 -11.241 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.297 -9.990 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.830 -9.876 -3.619 1.00 0.00 H new ATOM 1098 N ASP A 66 6.313 -12.932 -1.149 1.00 0.00 N ATOM 1099 CA ASP A 66 7.069 -13.491 0.008 1.00 0.00 C ATOM 1100 C ASP A 66 6.111 -13.762 1.172 1.00 0.00 C ATOM 1101 O ASP A 66 6.232 -14.742 1.882 1.00 0.00 O ATOM 1102 CB ASP A 66 8.130 -12.481 0.461 1.00 0.00 C ATOM 1103 CG ASP A 66 9.284 -12.440 -0.545 1.00 0.00 C ATOM 1104 OD1 ASP A 66 9.297 -13.271 -1.438 1.00 0.00 O ATOM 1105 OD2 ASP A 66 10.139 -11.581 -0.401 1.00 0.00 O ATOM 0 H ASP A 66 6.552 -11.971 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 66 7.548 -14.422 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.684 -11.491 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.506 -12.755 1.447 1.00 0.00 H new ATOM 1110 N MET A 67 5.164 -12.885 1.377 1.00 0.00 N ATOM 1111 CA MET A 67 4.194 -13.065 2.500 1.00 0.00 C ATOM 1112 C MET A 67 3.392 -14.359 2.305 1.00 0.00 C ATOM 1113 O MET A 67 3.237 -15.155 3.215 1.00 0.00 O ATOM 1114 CB MET A 67 3.235 -11.871 2.520 1.00 0.00 C ATOM 1115 CG MET A 67 2.271 -12.000 3.701 1.00 0.00 C ATOM 1116 SD MET A 67 1.277 -10.493 3.833 1.00 0.00 S ATOM 1117 CE MET A 67 2.339 -9.615 5.009 1.00 0.00 C ATOM 0 H MET A 67 5.019 -12.048 0.813 1.00 0.00 H new ATOM 0 HA MET A 67 4.738 -13.127 3.442 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.799 -10.941 2.599 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.676 -11.826 1.585 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.623 -12.865 3.563 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.828 -12.163 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.804 -9.476 5.949 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.243 -10.197 5.188 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.610 -8.642 4.599 1.00 0.00 H new ATOM 1127 N LEU A 68 2.893 -14.577 1.122 1.00 0.00 N ATOM 1128 CA LEU A 68 2.105 -15.817 0.856 1.00 0.00 C ATOM 1129 C LEU A 68 3.063 -17.000 0.730 1.00 0.00 C ATOM 1130 O LEU A 68 2.694 -18.138 0.926 1.00 0.00 O ATOM 1131 CB LEU A 68 1.316 -15.652 -0.444 1.00 0.00 C ATOM 1132 CG LEU A 68 0.277 -14.532 -0.290 1.00 0.00 C ATOM 1133 CD1 LEU A 68 -0.451 -14.328 -1.623 1.00 0.00 C ATOM 1134 CD2 LEU A 68 -0.743 -14.899 0.807 1.00 0.00 C ATOM 0 H LEU A 68 2.996 -13.950 0.324 1.00 0.00 H new ATOM 0 HA LEU A 68 1.410 -15.995 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.995 -15.419 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.819 -16.588 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 68 0.785 -13.611 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.189 -13.533 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.270 -14.053 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.952 -15.253 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.474 -14.097 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.253 -15.823 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.224 -15.036 1.755 1.00 0.00 H new ATOM 1146 N ARG A 69 4.295 -16.730 0.416 1.00 0.00 N ATOM 1147 CA ARG A 69 5.295 -17.830 0.290 1.00 0.00 C ATOM 1148 C ARG A 69 5.517 -18.462 1.667 1.00 0.00 C ATOM 1149 O ARG A 69 5.588 -19.670 1.810 1.00 0.00 O ATOM 1150 CB ARG A 69 6.617 -17.252 -0.222 1.00 0.00 C ATOM 1151 CG ARG A 69 7.630 -18.381 -0.429 1.00 0.00 C ATOM 1152 CD ARG A 69 8.923 -17.811 -1.025 1.00 0.00 C ATOM 1153 NE ARG A 69 9.562 -16.891 -0.042 1.00 0.00 N ATOM 1154 CZ ARG A 69 10.610 -16.183 -0.376 1.00 0.00 C ATOM 1155 NH1 ARG A 69 11.115 -16.275 -1.578 1.00 0.00 N ATOM 1156 NH2 ARG A 69 11.153 -15.380 0.495 1.00 0.00 N ATOM 0 H ARG A 69 4.658 -15.793 0.240 1.00 0.00 H new ATOM 0 HA ARG A 69 4.932 -18.584 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.454 -16.721 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.008 -16.526 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.841 -18.872 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.214 -19.138 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.607 -18.621 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.705 -17.277 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 69 9.179 -16.813 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.692 -16.902 -2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.932 -15.720 -1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.761 -15.305 1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.970 -14.826 0.238 1.00 0.00 H new ATOM 1170 N LYS A 70 5.628 -17.646 2.679 1.00 0.00 N ATOM 1171 CA LYS A 70 5.845 -18.177 4.058 1.00 0.00 C ATOM 1172 C LYS A 70 4.581 -18.903 4.529 1.00 0.00 C ATOM 1173 O LYS A 70 4.629 -20.017 5.019 1.00 0.00 O ATOM 1174 CB LYS A 70 6.125 -17.007 5.002 1.00 0.00 C ATOM 1175 CG LYS A 70 7.463 -16.360 4.644 1.00 0.00 C ATOM 1176 CD LYS A 70 7.736 -15.183 5.588 1.00 0.00 C ATOM 1177 CE LYS A 70 9.099 -14.567 5.260 1.00 0.00 C ATOM 1178 NZ LYS A 70 8.983 -13.721 4.039 1.00 0.00 N ATOM 0 H LYS A 70 5.578 -16.629 2.611 1.00 0.00 H new ATOM 0 HA LYS A 70 6.687 -18.869 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.324 -16.271 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.145 -17.357 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.265 -17.094 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.446 -16.014 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.952 -14.432 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.719 -15.523 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.450 -13.966 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.836 -15.354 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.896 -13.263 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.716 -14.316 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.255 -12.993 4.189 1.00 0.00 H new ATOM 1192 N ASP A 71 3.450 -18.270 4.377 1.00 0.00 N ATOM 1193 CA ASP A 71 2.164 -18.900 4.803 1.00 0.00 C ATOM 1194 C ASP A 71 1.874 -20.119 3.919 1.00 0.00 C ATOM 1195 O ASP A 71 1.411 -21.144 4.379 1.00 0.00 O ATOM 1196 CB ASP A 71 1.028 -17.884 4.659 1.00 0.00 C ATOM 1197 CG ASP A 71 1.126 -16.834 5.769 1.00 0.00 C ATOM 1198 OD1 ASP A 71 1.898 -17.041 6.691 1.00 0.00 O ATOM 1199 OD2 ASP A 71 0.427 -15.837 5.677 1.00 0.00 O ATOM 0 H ASP A 71 3.359 -17.338 3.974 1.00 0.00 H new ATOM 0 HA ASP A 71 2.241 -19.216 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.082 -17.401 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.065 -18.392 4.711 1.00 0.00 H new ATOM 1204 N GLY A 72 2.133 -20.004 2.648 1.00 0.00 N ATOM 1205 CA GLY A 72 1.868 -21.141 1.719 1.00 0.00 C ATOM 1206 C GLY A 72 1.916 -20.644 0.272 1.00 0.00 C ATOM 1207 O GLY A 72 2.970 -20.364 -0.267 1.00 0.00 O ATOM 0 H GLY A 72 2.519 -19.168 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.609 -21.927 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.892 -21.578 1.932 1.00 0.00 H new ATOM 1211 N LYS A 73 0.778 -20.534 -0.356 1.00 0.00 N ATOM 1212 CA LYS A 73 0.743 -20.053 -1.765 1.00 0.00 C ATOM 1213 C LYS A 73 -0.709 -19.812 -2.198 1.00 0.00 C ATOM 1214 O LYS A 73 -1.475 -20.738 -2.378 1.00 0.00 O ATOM 1215 CB LYS A 73 1.385 -21.099 -2.686 1.00 0.00 C ATOM 1216 CG LYS A 73 1.727 -20.463 -4.046 1.00 0.00 C ATOM 1217 CD LYS A 73 3.108 -19.801 -3.984 1.00 0.00 C ATOM 1218 CE LYS A 73 3.463 -19.231 -5.353 1.00 0.00 C ATOM 1219 NZ LYS A 73 4.807 -18.591 -5.287 1.00 0.00 N ATOM 0 H LYS A 73 -0.132 -20.757 0.048 1.00 0.00 H new ATOM 0 HA LYS A 73 1.299 -19.118 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.288 -21.497 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.703 -21.938 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.715 -21.224 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.972 -19.723 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.109 -19.007 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.858 -20.529 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.461 -20.024 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.715 -18.501 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.052 -18.201 -6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.792 -17.824 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.516 -19.300 -5.011 1.00 0.00 H new ATOM 1233 N ASP A 74 -1.078 -18.570 -2.370 1.00 0.00 N ATOM 1234 CA ASP A 74 -2.470 -18.234 -2.798 1.00 0.00 C ATOM 1235 C ASP A 74 -2.507 -16.793 -3.329 1.00 0.00 C ATOM 1236 O ASP A 74 -3.340 -16.005 -2.930 1.00 0.00 O ATOM 1237 CB ASP A 74 -3.430 -18.357 -1.606 1.00 0.00 C ATOM 1238 CG ASP A 74 -3.650 -19.835 -1.277 1.00 0.00 C ATOM 1239 OD1 ASP A 74 -4.123 -20.551 -2.143 1.00 0.00 O ATOM 1240 OD2 ASP A 74 -3.342 -20.225 -0.161 1.00 0.00 O ATOM 0 H ASP A 74 -0.468 -17.764 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.778 -18.926 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.019 -17.838 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.382 -17.880 -1.841 1.00 0.00 H new ATOM 1245 N PRO A 75 -1.602 -16.454 -4.218 1.00 0.00 N ATOM 1246 CA PRO A 75 -1.525 -15.082 -4.815 1.00 0.00 C ATOM 1247 C PRO A 75 -2.772 -14.730 -5.638 1.00 0.00 C ATOM 1248 O PRO A 75 -3.338 -15.558 -6.327 1.00 0.00 O ATOM 1249 CB PRO A 75 -0.265 -15.133 -5.700 1.00 0.00 C ATOM 1250 CG PRO A 75 -0.046 -16.589 -5.980 1.00 0.00 C ATOM 1251 CD PRO A 75 -0.553 -17.337 -4.746 1.00 0.00 C ATOM 0 HA PRO A 75 -1.476 -14.308 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.408 -14.571 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.593 -14.696 -5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.587 -16.900 -6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.009 -16.798 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.948 -18.319 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.242 -17.496 -4.018 1.00 0.00 H new ATOM 1259 N ASN A 76 -3.193 -13.499 -5.567 1.00 0.00 N ATOM 1260 CA ASN A 76 -4.397 -13.060 -6.330 1.00 0.00 C ATOM 1261 C ASN A 76 -3.992 -12.630 -7.742 1.00 0.00 C ATOM 1262 O ASN A 76 -3.258 -11.681 -7.936 1.00 0.00 O ATOM 1263 CB ASN A 76 -5.059 -11.891 -5.601 1.00 0.00 C ATOM 1264 CG ASN A 76 -5.702 -12.400 -4.310 1.00 0.00 C ATOM 1265 OD1 ASN A 76 -6.073 -13.554 -4.216 1.00 0.00 O ATOM 1266 ND2 ASN A 76 -5.848 -11.585 -3.301 1.00 0.00 N ATOM 0 H ASN A 76 -2.751 -12.770 -5.008 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.101 -13.889 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.319 -11.123 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.813 -11.429 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.273 -11.917 -2.435 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.537 -10.617 -3.379 1.00 0.00 H new ATOM 1273 N GLN A 77 -4.481 -13.334 -8.723 1.00 0.00 N ATOM 1274 CA GLN A 77 -4.150 -13.001 -10.141 1.00 0.00 C ATOM 1275 C GLN A 77 -4.905 -11.737 -10.570 1.00 0.00 C ATOM 1276 O GLN A 77 -4.618 -10.644 -10.122 1.00 0.00 O ATOM 1277 CB GLN A 77 -4.576 -14.166 -11.035 1.00 0.00 C ATOM 1278 CG GLN A 77 -3.671 -15.367 -10.777 1.00 0.00 C ATOM 1279 CD GLN A 77 -4.129 -16.553 -11.630 1.00 0.00 C ATOM 1280 OE1 GLN A 77 -5.228 -17.049 -11.466 1.00 0.00 O ATOM 1281 NE2 GLN A 77 -3.327 -17.030 -12.540 1.00 0.00 N ATOM 0 H GLN A 77 -5.102 -14.134 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.078 -12.827 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.614 -14.431 -10.835 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.518 -13.873 -12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.638 -15.113 -11.015 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.698 -15.635 -9.721 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.406 -16.614 -12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.620 -17.820 -13.115 1.00 0.00 H new ATOM 1290 N PHE A 78 -5.868 -11.890 -11.440 1.00 0.00 N ATOM 1291 CA PHE A 78 -6.663 -10.721 -11.918 1.00 0.00 C ATOM 1292 C PHE A 78 -8.039 -10.751 -11.246 1.00 0.00 C ATOM 1293 O PHE A 78 -8.909 -9.958 -11.545 1.00 0.00 O ATOM 1294 CB PHE A 78 -6.823 -10.817 -13.438 1.00 0.00 C ATOM 1295 CG PHE A 78 -5.506 -10.488 -14.112 1.00 0.00 C ATOM 1296 CD1 PHE A 78 -5.191 -9.158 -14.414 1.00 0.00 C ATOM 1297 CD2 PHE A 78 -4.604 -11.512 -14.433 1.00 0.00 C ATOM 1298 CE1 PHE A 78 -3.975 -8.849 -15.038 1.00 0.00 C ATOM 1299 CE2 PHE A 78 -3.388 -11.202 -15.057 1.00 0.00 C ATOM 1300 CZ PHE A 78 -3.074 -9.871 -15.357 1.00 0.00 C ATOM 0 H PHE A 78 -6.141 -12.786 -11.844 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.157 -9.789 -11.667 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.145 -11.820 -13.717 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.598 -10.129 -13.776 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.886 -8.369 -14.166 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.846 -12.538 -14.200 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.733 -7.823 -15.273 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.693 -11.990 -15.307 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.135 -9.633 -15.835 1.00 0.00 H new ATOM 1310 N THR A 79 -8.234 -11.667 -10.332 1.00 0.00 N ATOM 1311 CA THR A 79 -9.552 -11.765 -9.629 1.00 0.00 C ATOM 1312 C THR A 79 -9.989 -10.376 -9.159 1.00 0.00 C ATOM 1313 O THR A 79 -10.568 -9.609 -9.902 1.00 0.00 O ATOM 1314 CB THR A 79 -9.419 -12.687 -8.413 1.00 0.00 C ATOM 1315 OG1 THR A 79 -8.461 -12.144 -7.514 1.00 0.00 O ATOM 1316 CG2 THR A 79 -8.971 -14.076 -8.860 1.00 0.00 C ATOM 0 H THR A 79 -7.537 -12.353 -10.041 1.00 0.00 H new ATOM 0 HA THR A 79 -10.295 -12.170 -10.317 1.00 0.00 H new ATOM 0 HB THR A 79 -10.385 -12.768 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.375 -12.731 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.879 -14.726 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.708 -14.492 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.006 -14.003 -9.362 1.00 0.00 H new ATOM 1324 N ILE A 80 -9.718 -10.053 -7.924 1.00 0.00 N ATOM 1325 CA ILE A 80 -10.109 -8.714 -7.384 1.00 0.00 C ATOM 1326 C ILE A 80 -8.867 -7.821 -7.311 1.00 0.00 C ATOM 1327 O ILE A 80 -8.958 -6.615 -7.202 1.00 0.00 O ATOM 1328 CB ILE A 80 -10.703 -8.890 -5.977 1.00 0.00 C ATOM 1329 CG1 ILE A 80 -11.791 -9.999 -5.991 1.00 0.00 C ATOM 1330 CG2 ILE A 80 -11.324 -7.561 -5.525 1.00 0.00 C ATOM 1331 CD1 ILE A 80 -11.181 -11.351 -5.600 1.00 0.00 C ATOM 0 H ILE A 80 -9.240 -10.661 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.851 -8.252 -8.035 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.913 -9.183 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.592 -9.740 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.237 -10.067 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.748 -7.678 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.555 -6.789 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.111 -7.271 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.956 -12.118 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.396 -11.615 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.757 -11.283 -4.598 1.00 0.00 H new ATOM 1343 N SER A 81 -7.706 -8.416 -7.364 1.00 0.00 N ATOM 1344 CA SER A 81 -6.444 -7.621 -7.287 1.00 0.00 C ATOM 1345 C SER A 81 -6.173 -6.893 -8.610 1.00 0.00 C ATOM 1346 O SER A 81 -6.757 -7.190 -9.636 1.00 0.00 O ATOM 1347 CB SER A 81 -5.270 -8.550 -6.975 1.00 0.00 C ATOM 1348 OG SER A 81 -5.086 -9.456 -8.055 1.00 0.00 O ATOM 0 H SER A 81 -7.576 -9.423 -7.458 1.00 0.00 H new ATOM 0 HA SER A 81 -6.555 -6.880 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.363 -7.967 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.461 -9.099 -6.053 1.00 0.00 H new ATOM 0 HG SER A 81 -4.366 -10.084 -7.836 1.00 0.00 H new ATOM 1354 N ARG A 82 -5.283 -5.937 -8.571 1.00 0.00 N ATOM 1355 CA ARG A 82 -4.935 -5.159 -9.795 1.00 0.00 C ATOM 1356 C ARG A 82 -6.211 -4.694 -10.502 1.00 0.00 C ATOM 1357 O ARG A 82 -6.711 -5.331 -11.409 1.00 0.00 O ATOM 1358 CB ARG A 82 -4.088 -6.018 -10.738 1.00 0.00 C ATOM 1359 CG ARG A 82 -3.448 -5.119 -11.801 1.00 0.00 C ATOM 1360 CD ARG A 82 -2.586 -5.966 -12.738 1.00 0.00 C ATOM 1361 NE ARG A 82 -1.435 -6.545 -11.982 1.00 0.00 N ATOM 1362 CZ ARG A 82 -0.339 -5.855 -11.801 1.00 0.00 C ATOM 1363 NH1 ARG A 82 -0.234 -4.640 -12.267 1.00 0.00 N ATOM 1364 NH2 ARG A 82 0.658 -6.387 -11.150 1.00 0.00 N ATOM 0 H ARG A 82 -4.776 -5.659 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.357 -4.282 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.316 -6.543 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.709 -6.778 -11.213 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.222 -4.603 -12.369 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.838 -4.352 -11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.185 -6.765 -13.175 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.220 -5.354 -13.563 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.505 -7.489 -11.603 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.011 -4.221 -12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.625 -4.110 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.580 -7.336 -10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.515 -5.854 -11.006 1.00 0.00 H new ATOM 1378 N ARG A 83 -6.726 -3.567 -10.091 1.00 0.00 N ATOM 1379 CA ARG A 83 -7.965 -3.028 -10.723 1.00 0.00 C ATOM 1380 C ARG A 83 -7.696 -2.747 -12.204 1.00 0.00 C ATOM 1381 O ARG A 83 -8.494 -3.055 -13.067 1.00 0.00 O ATOM 1382 CB ARG A 83 -8.361 -1.723 -10.022 1.00 0.00 C ATOM 1383 CG ARG A 83 -9.678 -1.204 -10.607 1.00 0.00 C ATOM 1384 CD ARG A 83 -10.076 0.105 -9.916 1.00 0.00 C ATOM 1385 NE ARG A 83 -10.159 -0.111 -8.445 1.00 0.00 N ATOM 1386 CZ ARG A 83 -10.257 0.906 -7.630 1.00 0.00 C ATOM 1387 NH1 ARG A 83 -10.259 2.127 -8.093 1.00 0.00 N ATOM 1388 NH2 ARG A 83 -10.345 0.698 -6.349 1.00 0.00 N ATOM 0 H ARG A 83 -6.340 -2.993 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.772 -3.755 -10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.469 -1.892 -8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.576 -0.977 -10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.570 -1.041 -11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.463 -1.948 -10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.345 0.882 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.036 0.452 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.139 -1.060 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.184 2.292 -9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.336 2.916 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.337 -0.255 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.422 1.488 -5.708 1.00 0.00 H new ATOM 1402 N GLY A 84 -6.573 -2.160 -12.494 1.00 0.00 N ATOM 1403 CA GLY A 84 -6.229 -1.851 -13.913 1.00 0.00 C ATOM 1404 C GLY A 84 -7.093 -0.700 -14.429 1.00 0.00 C ATOM 1405 O GLY A 84 -8.165 -0.430 -13.921 1.00 0.00 O ATOM 0 H GLY A 84 -5.872 -1.878 -11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.174 -1.586 -13.989 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.381 -2.735 -14.532 1.00 0.00 H new ATOM 1409 N ALA A 85 -6.627 -0.024 -15.445 1.00 0.00 N ATOM 1410 CA ALA A 85 -7.397 1.122 -16.023 1.00 0.00 C ATOM 1411 C ALA A 85 -7.991 0.710 -17.371 1.00 0.00 C ATOM 1412 O ALA A 85 -7.587 1.185 -18.416 1.00 0.00 O ATOM 1413 CB ALA A 85 -6.455 2.313 -16.208 1.00 0.00 C ATOM 0 H ALA A 85 -5.737 -0.217 -15.905 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.207 1.402 -15.350 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.008 3.153 -16.629 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.038 2.600 -15.243 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.646 2.036 -16.884 1.00 0.00 H new ATOM 1419 N LYS A 86 -8.951 -0.170 -17.348 1.00 0.00 N ATOM 1420 CA LYS A 86 -9.591 -0.626 -18.617 1.00 0.00 C ATOM 1421 C LYS A 86 -11.013 -1.108 -18.314 1.00 0.00 C ATOM 1422 O LYS A 86 -11.215 -2.124 -17.677 1.00 0.00 O ATOM 1423 CB LYS A 86 -8.777 -1.759 -19.240 1.00 0.00 C ATOM 1424 CG LYS A 86 -9.413 -2.168 -20.572 1.00 0.00 C ATOM 1425 CD LYS A 86 -8.573 -3.263 -21.225 1.00 0.00 C ATOM 1426 CE LYS A 86 -9.218 -3.679 -22.546 1.00 0.00 C ATOM 1427 NZ LYS A 86 -9.222 -2.520 -23.486 1.00 0.00 N ATOM 0 H LYS A 86 -9.324 -0.597 -16.500 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.628 0.203 -19.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.748 -1.437 -19.399 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.743 -2.613 -18.563 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.430 -2.525 -20.407 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.482 -1.305 -21.234 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.559 -2.903 -21.400 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.495 -4.123 -20.559 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.670 -4.513 -22.983 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.238 -4.023 -22.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.335 -2.864 -24.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.010 -1.884 -23.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.324 -2.003 -23.403 1.00 0.00 H new ATOM 1441 N ILE A 87 -11.995 -0.382 -18.773 1.00 0.00 N ATOM 1442 CA ILE A 87 -13.413 -0.775 -18.522 1.00 0.00 C ATOM 1443 C ILE A 87 -13.909 -1.665 -19.663 1.00 0.00 C ATOM 1444 O ILE A 87 -13.999 -1.254 -20.803 1.00 0.00 O ATOM 1445 CB ILE A 87 -14.285 0.487 -18.420 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -13.841 1.516 -19.470 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -14.141 1.093 -17.024 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -14.849 2.668 -19.514 1.00 0.00 C ATOM 0 H ILE A 87 -11.876 0.474 -19.316 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.478 -1.330 -17.586 1.00 0.00 H new ATOM 0 HB ILE A 87 -15.326 0.218 -18.599 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.849 1.896 -19.226 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.769 1.044 -20.450 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.759 1.988 -16.950 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.463 0.367 -16.277 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -13.098 1.357 -16.848 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -14.534 3.399 -20.259 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -15.833 2.281 -19.779 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -14.898 3.146 -18.536 1.00 0.00 H new ATOM 1460 N SER A 88 -14.243 -2.882 -19.347 1.00 0.00 N ATOM 1461 CA SER A 88 -14.751 -3.827 -20.384 1.00 0.00 C ATOM 1462 C SER A 88 -16.281 -3.873 -20.298 1.00 0.00 C ATOM 1463 O SER A 88 -16.951 -4.425 -21.146 1.00 0.00 O ATOM 1464 CB SER A 88 -14.182 -5.218 -20.104 1.00 0.00 C ATOM 1465 OG SER A 88 -12.765 -5.168 -20.173 1.00 0.00 O ATOM 0 H SER A 88 -14.186 -3.269 -18.405 1.00 0.00 H new ATOM 0 HA SER A 88 -14.447 -3.501 -21.379 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.498 -5.561 -19.119 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.568 -5.934 -20.830 1.00 0.00 H new ATOM 0 HG SER A 88 -12.397 -6.058 -19.992 1.00 0.00 H new ATOM 1471 N GLU A 89 -16.836 -3.286 -19.268 1.00 0.00 N ATOM 1472 CA GLU A 89 -18.322 -3.288 -19.102 1.00 0.00 C ATOM 1473 C GLU A 89 -18.918 -2.059 -19.792 1.00 0.00 C ATOM 1474 O GLU A 89 -18.176 -1.364 -20.467 1.00 0.00 O ATOM 1475 CB GLU A 89 -18.663 -3.257 -17.612 1.00 0.00 C ATOM 1476 CG GLU A 89 -18.172 -4.547 -16.933 1.00 0.00 C ATOM 1477 CD GLU A 89 -16.678 -4.433 -16.603 1.00 0.00 C ATOM 1478 OE1 GLU A 89 -16.081 -3.441 -16.987 1.00 0.00 O ATOM 1479 OE2 GLU A 89 -16.159 -5.346 -15.981 1.00 0.00 O ATOM 1480 OXT GLU A 89 -20.107 -1.832 -19.637 1.00 0.00 O ATOM 0 H GLU A 89 -16.322 -2.803 -18.531 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.738 -4.189 -19.553 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.199 -2.390 -17.142 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.740 -3.153 -17.479 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.741 -4.727 -16.021 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.343 -5.400 -17.589 1.00 0.00 H new TER 1487 GLU A 89