USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 62 ASN : amide:sc= 1.01 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.91 USER MOD Set 2.1: A 13 GLN : amide:sc= 2 K(o=2.9,f=-3!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.92 K(o=2.9,f=1.2) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0756 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.122 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.94 K(o=1.9,f=-8.1!) USER MOD Single : A 4 TYR OH : rot 110:sc= 0.766 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.0327 K(o=0.033,f=-3.6!) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.575 (180deg=-1.46!) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.32 (180deg=1.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 1.14 (180deg=0.825) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.904 K(o=0.9,f=-0.26) USER MOD Single : A 55 SER OG : rot 63:sc= 1.29 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0216) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -110:sc= 0.336 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 83 HIS : no HE2:sc= 0.649 K(o=0.65,f=-2.1!) USER MOD Single : A 84 HIS : no HE2:sc= 0.474 K(o=0.47,f=-1.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0311 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.328 -0.924 1.615 1.00 0.00 N ATOM 2 CA MET A 1 2.761 -0.495 0.310 1.00 0.00 C ATOM 3 C MET A 1 2.892 -1.634 -0.722 1.00 0.00 C ATOM 4 O MET A 1 3.362 -2.721 -0.378 1.00 0.00 O ATOM 5 CB MET A 1 3.388 0.837 -0.160 1.00 0.00 C ATOM 6 CG MET A 1 2.325 1.727 -0.818 1.00 0.00 C ATOM 7 SD MET A 1 2.921 3.260 -1.582 1.00 0.00 S ATOM 8 CE MET A 1 4.011 2.571 -2.855 1.00 0.00 C ATOM 0 H1 MET A 1 2.637 -0.742 2.370 1.00 0.00 H new ATOM 0 H2 MET A 1 3.545 -1.941 1.582 1.00 0.00 H new ATOM 0 H3 MET A 1 4.199 -0.390 1.807 1.00 0.00 H new ATOM 0 HA MET A 1 1.696 -0.293 0.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.832 1.357 0.689 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.193 0.638 -0.867 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.813 1.141 -1.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.582 1.987 -0.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.124 3.291 -3.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.988 2.357 -2.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.578 1.650 -3.246 1.00 0.00 H new ATOM 20 N LEU A 2 2.448 -1.438 -1.973 1.00 0.00 N ATOM 21 CA LEU A 2 2.257 -2.507 -2.948 1.00 0.00 C ATOM 22 C LEU A 2 2.650 -2.019 -4.352 1.00 0.00 C ATOM 23 O LEU A 2 3.041 -0.863 -4.542 1.00 0.00 O ATOM 24 CB LEU A 2 0.775 -2.932 -2.901 1.00 0.00 C ATOM 25 CG LEU A 2 0.557 -4.425 -3.190 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.799 -5.260 -1.930 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.864 -4.675 -3.700 1.00 0.00 C ATOM 0 H LEU A 2 2.210 -0.515 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 2 2.891 -3.362 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.369 -2.697 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.213 -2.344 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 2 1.270 -4.723 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.639 -6.314 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.823 -5.113 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.107 -4.948 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.997 -5.738 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.583 -4.354 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.025 -4.111 -4.619 1.00 0.00 H new ATOM 39 N GLN A 3 2.552 -2.904 -5.340 1.00 0.00 N ATOM 40 CA GLN A 3 2.930 -2.688 -6.730 1.00 0.00 C ATOM 41 C GLN A 3 2.064 -3.602 -7.607 1.00 0.00 C ATOM 42 O GLN A 3 1.622 -4.650 -7.129 1.00 0.00 O ATOM 43 CB GLN A 3 4.439 -3.000 -6.818 1.00 0.00 C ATOM 44 CG GLN A 3 5.081 -3.090 -8.207 1.00 0.00 C ATOM 45 CD GLN A 3 6.576 -3.365 -8.062 1.00 0.00 C ATOM 46 OE1 GLN A 3 6.981 -4.375 -7.491 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.431 -2.483 -8.536 1.00 0.00 N ATOM 0 H GLN A 3 2.186 -3.843 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 3 2.764 -1.669 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.971 -2.233 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.613 -3.948 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.609 -3.884 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.923 -2.160 -8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.091 -1.646 -9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.434 -2.637 -8.430 1.00 0.00 H new ATOM 56 N TYR A 4 1.854 -3.245 -8.879 1.00 0.00 N ATOM 57 CA TYR A 4 1.296 -4.147 -9.889 1.00 0.00 C ATOM 58 C TYR A 4 2.318 -4.381 -10.993 1.00 0.00 C ATOM 59 O TYR A 4 3.239 -3.584 -11.188 1.00 0.00 O ATOM 60 CB TYR A 4 -0.070 -3.680 -10.455 1.00 0.00 C ATOM 61 CG TYR A 4 -0.149 -2.369 -11.242 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.683 -2.092 -12.351 1.00 0.00 C ATOM 63 CD2 TYR A 4 -1.136 -1.426 -10.898 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.618 -0.852 -13.009 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.191 -0.174 -11.530 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.297 0.131 -12.577 1.00 0.00 C ATOM 67 OH TYR A 4 -0.319 1.368 -13.149 1.00 0.00 O ATOM 0 H TYR A 4 2.069 -2.315 -9.238 1.00 0.00 H new ATOM 0 HA TYR A 4 1.084 -5.094 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.444 -4.473 -11.102 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.762 -3.600 -9.616 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.378 -2.843 -12.697 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.862 -1.670 -10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.269 -0.651 -13.847 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.920 0.558 -11.214 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.137 1.468 -13.680 1.00 0.00 H new ATOM 77 N ARG A 5 2.084 -5.433 -11.772 1.00 0.00 N ATOM 78 CA ARG A 5 2.693 -5.695 -13.070 1.00 0.00 C ATOM 79 C ARG A 5 1.543 -6.128 -13.962 1.00 0.00 C ATOM 80 O ARG A 5 0.713 -6.926 -13.523 1.00 0.00 O ATOM 81 CB ARG A 5 3.736 -6.820 -12.952 1.00 0.00 C ATOM 82 CG ARG A 5 5.054 -6.311 -12.364 1.00 0.00 C ATOM 83 CD ARG A 5 6.048 -7.447 -12.098 1.00 0.00 C ATOM 84 NE ARG A 5 7.380 -6.914 -11.758 1.00 0.00 N ATOM 85 CZ ARG A 5 7.738 -6.319 -10.610 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.920 -6.298 -9.561 1.00 0.00 N ATOM 87 NH2 ARG A 5 8.927 -5.730 -10.517 1.00 0.00 N ATOM 0 H ARG A 5 1.428 -6.165 -11.499 1.00 0.00 H new ATOM 0 HA ARG A 5 3.212 -4.822 -13.466 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.341 -7.618 -12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.919 -7.251 -13.936 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.502 -5.592 -13.050 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.853 -5.781 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.683 -8.071 -11.282 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.121 -8.085 -12.979 1.00 0.00 H new ATOM 0 HE ARG A 5 8.105 -7.007 -12.470 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.002 -6.739 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.210 -5.841 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.561 -5.732 -11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.205 -5.276 -9.647 1.00 0.00 H new ATOM 101 N ILE A 6 1.471 -5.617 -15.185 1.00 0.00 N ATOM 102 CA ILE A 6 0.411 -5.954 -16.124 1.00 0.00 C ATOM 103 C ILE A 6 1.051 -6.078 -17.497 1.00 0.00 C ATOM 104 O ILE A 6 1.921 -5.270 -17.837 1.00 0.00 O ATOM 105 CB ILE A 6 -0.724 -4.892 -16.157 1.00 0.00 C ATOM 106 CG1 ILE A 6 -0.921 -4.141 -14.821 1.00 0.00 C ATOM 107 CG2 ILE A 6 -2.033 -5.559 -16.624 1.00 0.00 C ATOM 108 CD1 ILE A 6 -2.131 -3.206 -14.802 1.00 0.00 C ATOM 0 H ILE A 6 2.151 -4.953 -15.554 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.058 -6.887 -15.811 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.423 -4.123 -16.869 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.027 -4.871 -14.019 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.024 -3.560 -14.607 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.831 -4.817 -16.648 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.894 -5.975 -17.622 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.301 -6.358 -15.932 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.198 -2.718 -13.830 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.020 -2.451 -15.580 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.039 -3.782 -14.982 1.00 0.00 H new ATOM 120 N ILE A 7 0.575 -7.025 -18.302 1.00 0.00 N ATOM 121 CA ILE A 7 0.809 -7.042 -19.740 1.00 0.00 C ATOM 122 C ILE A 7 -0.579 -7.084 -20.384 1.00 0.00 C ATOM 123 O ILE A 7 -1.473 -7.777 -19.884 1.00 0.00 O ATOM 124 CB ILE A 7 1.727 -8.204 -20.222 1.00 0.00 C ATOM 125 CG1 ILE A 7 2.485 -9.022 -19.143 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.713 -7.673 -21.274 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.679 -8.332 -18.461 1.00 0.00 C ATOM 0 H ILE A 7 0.012 -7.808 -17.970 1.00 0.00 H new ATOM 0 HA ILE A 7 1.366 -6.154 -20.039 1.00 0.00 H new ATOM 0 HB ILE A 7 1.029 -8.932 -20.635 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.771 -9.308 -18.370 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.843 -9.943 -19.604 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.356 -8.485 -21.612 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.159 -7.272 -22.122 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.324 -6.885 -20.835 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.121 -9.008 -17.729 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.426 -8.071 -19.211 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.338 -7.427 -17.959 1.00 0.00 H new ATOM 139 N VAL A 8 -0.774 -6.321 -21.461 1.00 0.00 N ATOM 140 CA VAL A 8 -2.067 -6.138 -22.111 1.00 0.00 C ATOM 141 C VAL A 8 -1.908 -6.156 -23.631 1.00 0.00 C ATOM 142 O VAL A 8 -0.847 -5.804 -24.151 1.00 0.00 O ATOM 143 CB VAL A 8 -2.734 -4.828 -21.632 1.00 0.00 C ATOM 144 CG1 VAL A 8 -2.999 -4.828 -20.122 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.960 -3.549 -21.974 1.00 0.00 C ATOM 0 H VAL A 8 -0.020 -5.804 -21.913 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.719 -6.966 -21.832 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.672 -4.812 -22.187 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.468 -3.887 -19.835 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.661 -5.656 -19.869 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.056 -4.941 -19.587 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.505 -2.683 -21.598 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.974 -3.586 -21.512 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.851 -3.468 -23.055 1.00 0.00 H new ATOM 155 N ASP A 9 -2.973 -6.511 -24.345 1.00 0.00 N ATOM 156 CA ASP A 9 -3.094 -6.413 -25.797 1.00 0.00 C ATOM 157 C ASP A 9 -4.552 -6.086 -26.126 1.00 0.00 C ATOM 158 O ASP A 9 -5.446 -6.353 -25.320 1.00 0.00 O ATOM 159 CB ASP A 9 -2.650 -7.719 -26.463 1.00 0.00 C ATOM 160 CG ASP A 9 -2.870 -7.695 -27.985 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.473 -6.707 -28.638 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.428 -8.673 -28.531 1.00 0.00 O ATOM 0 H ASP A 9 -3.812 -6.892 -23.908 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.446 -5.625 -26.181 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.595 -7.893 -26.252 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.203 -8.553 -26.030 1.00 0.00 H new ATOM 167 N GLY A 10 -4.800 -5.460 -27.272 1.00 0.00 N ATOM 168 CA GLY A 10 -6.086 -4.916 -27.665 1.00 0.00 C ATOM 169 C GLY A 10 -5.829 -3.735 -28.587 1.00 0.00 C ATOM 170 O GLY A 10 -4.749 -3.629 -29.178 1.00 0.00 O ATOM 0 H GLY A 10 -4.078 -5.314 -27.978 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.682 -5.674 -28.173 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.651 -4.600 -26.788 1.00 0.00 H new ATOM 174 N ARG A 11 -6.777 -2.799 -28.666 1.00 0.00 N ATOM 175 CA ARG A 11 -6.453 -1.454 -29.129 1.00 0.00 C ATOM 176 C ARG A 11 -5.747 -0.771 -27.961 1.00 0.00 C ATOM 177 O ARG A 11 -6.400 -0.093 -27.164 1.00 0.00 O ATOM 178 CB ARG A 11 -7.712 -0.709 -29.608 1.00 0.00 C ATOM 179 CG ARG A 11 -7.373 0.659 -30.226 1.00 0.00 C ATOM 180 CD ARG A 11 -8.641 1.456 -30.565 1.00 0.00 C ATOM 181 NE ARG A 11 -9.437 0.810 -31.626 1.00 0.00 N ATOM 182 CZ ARG A 11 -10.763 0.610 -31.637 1.00 0.00 C ATOM 183 NH1 ARG A 11 -11.533 0.954 -30.606 1.00 0.00 N ATOM 184 NH2 ARG A 11 -11.323 0.048 -32.704 1.00 0.00 N ATOM 0 H ARG A 11 -7.756 -2.945 -28.420 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.800 -1.465 -30.002 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.236 -1.319 -30.344 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.392 -0.569 -28.768 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.758 1.231 -29.531 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.781 0.514 -31.130 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.252 1.563 -29.669 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.363 2.461 -30.882 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.922 0.479 -32.442 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.117 1.382 -29.779 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.539 0.789 -30.643 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.745 -0.224 -33.499 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.330 -0.111 -32.727 1.00 0.00 H new ATOM 198 N VAL A 12 -4.438 -1.005 -27.840 1.00 0.00 N ATOM 199 CA VAL A 12 -3.616 -0.527 -26.732 1.00 0.00 C ATOM 200 C VAL A 12 -2.404 0.256 -27.242 1.00 0.00 C ATOM 201 O VAL A 12 -1.566 0.645 -26.439 1.00 0.00 O ATOM 202 CB VAL A 12 -3.211 -1.692 -25.798 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.431 -2.353 -25.143 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.374 -2.773 -26.500 1.00 0.00 C ATOM 0 H VAL A 12 -3.911 -1.545 -28.527 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.213 0.165 -26.138 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.590 -1.230 -25.030 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.101 -3.166 -24.496 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.971 -1.614 -24.551 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.089 -2.750 -25.916 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.125 -3.560 -25.788 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.946 -3.198 -27.324 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.457 -2.329 -26.886 1.00 0.00 H new ATOM 214 N GLN A 13 -2.277 0.516 -28.546 1.00 0.00 N ATOM 215 CA GLN A 13 -1.269 1.404 -29.125 1.00 0.00 C ATOM 216 C GLN A 13 -1.900 2.073 -30.354 1.00 0.00 C ATOM 217 O GLN A 13 -2.978 1.671 -30.800 1.00 0.00 O ATOM 218 CB GLN A 13 0.006 0.632 -29.535 1.00 0.00 C ATOM 219 CG GLN A 13 0.815 -0.052 -28.418 1.00 0.00 C ATOM 220 CD GLN A 13 1.617 0.918 -27.545 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.817 1.100 -27.730 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.010 1.551 -26.562 1.00 0.00 N ATOM 0 H GLN A 13 -2.891 0.102 -29.247 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.965 2.144 -28.385 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.281 -0.132 -30.258 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.668 1.327 -30.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.132 -0.617 -27.783 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.500 -0.771 -28.868 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.013 1.406 -26.401 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.537 2.186 -25.962 1.00 0.00 H new ATOM 281 N ARG A 18 -0.921 4.393 -24.194 1.00 0.00 N ATOM 282 CA ARG A 18 0.169 4.432 -23.221 1.00 0.00 C ATOM 283 C ARG A 18 0.272 5.793 -22.515 1.00 0.00 C ATOM 284 O ARG A 18 0.751 5.838 -21.390 1.00 0.00 O ATOM 285 CB ARG A 18 1.496 3.874 -23.765 1.00 0.00 C ATOM 286 CG ARG A 18 2.245 4.712 -24.806 1.00 0.00 C ATOM 287 CD ARG A 18 3.573 4.019 -25.168 1.00 0.00 C ATOM 288 NE ARG A 18 4.360 4.859 -26.092 1.00 0.00 N ATOM 289 CZ ARG A 18 4.581 4.667 -27.403 1.00 0.00 C ATOM 290 NH1 ARG A 18 4.171 3.571 -28.040 1.00 0.00 N ATOM 291 NH2 ARG A 18 5.234 5.599 -28.091 1.00 0.00 N ATOM 0 HA ARG A 18 -0.091 3.730 -22.429 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.165 3.713 -22.919 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.295 2.896 -24.203 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.632 4.835 -25.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.439 5.710 -24.413 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.148 3.827 -24.262 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.371 3.052 -25.629 1.00 0.00 H new ATOM 0 HE ARG A 18 4.790 5.689 -25.684 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.671 2.842 -27.531 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.357 3.461 -29.037 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.559 6.445 -27.623 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.410 5.468 -29.087 1.00 0.00 H new ATOM 305 N TYR A 19 -0.224 6.890 -23.097 1.00 0.00 N ATOM 306 CA TYR A 19 -0.373 8.139 -22.351 1.00 0.00 C ATOM 307 C TYR A 19 -1.594 8.058 -21.427 1.00 0.00 C ATOM 308 O TYR A 19 -1.501 8.424 -20.254 1.00 0.00 O ATOM 309 CB TYR A 19 -0.482 9.329 -23.311 1.00 0.00 C ATOM 310 CG TYR A 19 -0.458 10.669 -22.599 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.769 11.217 -22.179 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.660 11.357 -22.336 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.802 12.447 -21.500 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.633 12.593 -21.666 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.401 13.143 -21.241 1.00 0.00 C ATOM 316 OH TYR A 19 -0.358 14.338 -20.584 1.00 0.00 O ATOM 0 H TYR A 19 -0.525 6.937 -24.070 1.00 0.00 H new ATOM 0 HA TYR A 19 0.512 8.290 -21.734 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.340 9.289 -24.026 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.406 9.244 -23.883 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.690 10.689 -22.380 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.603 10.934 -22.650 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.746 12.860 -21.176 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.554 13.123 -21.476 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.267 14.690 -20.485 1.00 0.00 H new ATOM 326 N PHE A 20 -2.724 7.536 -21.928 1.00 0.00 N ATOM 327 CA PHE A 20 -3.954 7.383 -21.153 1.00 0.00 C ATOM 328 C PHE A 20 -3.690 6.655 -19.840 1.00 0.00 C ATOM 329 O PHE A 20 -4.088 7.163 -18.793 1.00 0.00 O ATOM 330 CB PHE A 20 -5.055 6.690 -21.981 1.00 0.00 C ATOM 331 CG PHE A 20 -6.098 5.924 -21.175 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.176 6.604 -20.577 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.972 4.528 -20.997 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.119 5.896 -19.810 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.910 3.821 -20.220 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.984 4.507 -19.628 1.00 0.00 C ATOM 0 H PHE A 20 -2.805 7.207 -22.890 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.318 8.380 -20.904 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.566 7.445 -22.578 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.581 5.999 -22.678 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.279 7.671 -20.707 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.151 4.000 -21.460 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.949 6.420 -19.359 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.804 2.755 -20.080 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.706 3.968 -19.033 1.00 0.00 H new ATOM 346 N VAL A 21 -2.983 5.520 -19.852 1.00 0.00 N ATOM 347 CA VAL A 21 -2.733 4.810 -18.612 1.00 0.00 C ATOM 348 C VAL A 21 -1.935 5.676 -17.636 1.00 0.00 C ATOM 349 O VAL A 21 -2.221 5.649 -16.445 1.00 0.00 O ATOM 350 CB VAL A 21 -2.085 3.440 -18.853 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.041 2.501 -19.601 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.730 3.469 -19.557 1.00 0.00 C ATOM 0 H VAL A 21 -2.587 5.089 -20.687 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.697 4.607 -18.145 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.885 3.060 -17.851 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.556 1.538 -19.758 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.947 2.359 -19.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.300 2.938 -20.565 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.361 2.451 -19.678 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.839 3.934 -20.537 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.022 4.043 -18.960 1.00 0.00 H new ATOM 362 N GLN A 22 -1.002 6.507 -18.103 1.00 0.00 N ATOM 363 CA GLN A 22 -0.256 7.362 -17.195 1.00 0.00 C ATOM 364 C GLN A 22 -1.101 8.542 -16.696 1.00 0.00 C ATOM 365 O GLN A 22 -0.865 9.013 -15.583 1.00 0.00 O ATOM 366 CB GLN A 22 1.085 7.770 -17.815 1.00 0.00 C ATOM 367 CG GLN A 22 1.995 6.593 -18.242 1.00 0.00 C ATOM 368 CD GLN A 22 2.340 5.554 -17.161 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.492 5.038 -16.443 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.602 5.181 -17.016 1.00 0.00 N ATOM 0 H GLN A 22 -0.752 6.602 -19.087 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.015 6.793 -16.297 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.890 8.393 -18.688 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.627 8.386 -17.098 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.512 6.074 -19.070 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.928 7.007 -18.625 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.327 5.596 -17.602 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.849 4.479 -16.319 1.00 0.00 H new ATOM 379 N MET A 23 -2.138 8.964 -17.433 1.00 0.00 N ATOM 380 CA MET A 23 -3.140 9.881 -16.875 1.00 0.00 C ATOM 381 C MET A 23 -3.876 9.204 -15.713 1.00 0.00 C ATOM 382 O MET A 23 -4.007 9.778 -14.634 1.00 0.00 O ATOM 383 CB MET A 23 -4.189 10.336 -17.901 1.00 0.00 C ATOM 384 CG MET A 23 -3.642 11.027 -19.151 1.00 0.00 C ATOM 385 SD MET A 23 -4.921 11.921 -20.089 1.00 0.00 S ATOM 386 CE MET A 23 -6.034 10.579 -20.604 1.00 0.00 C ATOM 0 H MET A 23 -2.303 8.690 -18.402 1.00 0.00 H new ATOM 0 HA MET A 23 -2.590 10.762 -16.543 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.766 9.465 -18.213 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.882 11.017 -17.406 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.858 11.726 -18.859 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.179 10.282 -19.798 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.033 10.980 -20.776 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.660 10.129 -21.524 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.078 9.822 -19.821 1.00 0.00 H new ATOM 396 N GLU A 24 -4.350 7.974 -15.915 1.00 0.00 N ATOM 397 CA GLU A 24 -5.094 7.214 -14.916 1.00 0.00 C ATOM 398 C GLU A 24 -4.193 6.778 -13.751 1.00 0.00 C ATOM 399 O GLU A 24 -4.675 6.554 -12.642 1.00 0.00 O ATOM 400 CB GLU A 24 -5.772 6.008 -15.587 1.00 0.00 C ATOM 401 CG GLU A 24 -6.762 6.395 -16.701 1.00 0.00 C ATOM 402 CD GLU A 24 -7.850 7.369 -16.228 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.614 7.007 -15.308 1.00 0.00 O ATOM 404 OE2 GLU A 24 -7.951 8.494 -16.766 1.00 0.00 O ATOM 0 H GLU A 24 -4.224 7.471 -16.794 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.864 7.857 -14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.004 5.357 -16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.300 5.431 -14.828 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.212 6.847 -17.527 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.234 5.492 -17.089 1.00 0.00 H new ATOM 411 N ALA A 25 -2.881 6.685 -13.971 1.00 0.00 N ATOM 412 CA ALA A 25 -1.902 6.489 -12.919 1.00 0.00 C ATOM 413 C ALA A 25 -1.846 7.749 -12.060 1.00 0.00 C ATOM 414 O ALA A 25 -2.010 7.676 -10.843 1.00 0.00 O ATOM 415 CB ALA A 25 -0.539 6.182 -13.548 1.00 0.00 C ATOM 0 H ALA A 25 -2.470 6.746 -14.902 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.180 5.647 -12.285 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.200 6.034 -12.761 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.612 5.277 -14.152 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.234 7.016 -14.180 1.00 0.00 H new ATOM 421 N ASP A 26 -1.673 8.912 -12.693 1.00 0.00 N ATOM 422 CA ASP A 26 -1.584 10.195 -12.000 1.00 0.00 C ATOM 423 C ASP A 26 -2.868 10.514 -11.234 1.00 0.00 C ATOM 424 O ASP A 26 -2.800 10.976 -10.096 1.00 0.00 O ATOM 425 CB ASP A 26 -1.273 11.318 -12.991 1.00 0.00 C ATOM 426 CG ASP A 26 -1.236 12.680 -12.277 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.241 12.973 -11.579 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.191 13.473 -12.431 1.00 0.00 O ATOM 0 H ASP A 26 -1.591 8.988 -13.707 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.772 10.120 -11.277 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.314 11.129 -13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.027 11.335 -13.778 1.00 0.00 H new ATOM 433 N LYS A 27 -4.041 10.199 -11.800 1.00 0.00 N ATOM 434 CA LYS A 27 -5.325 10.419 -11.128 1.00 0.00 C ATOM 435 C LYS A 27 -5.480 9.550 -9.870 1.00 0.00 C ATOM 436 O LYS A 27 -6.352 9.819 -9.042 1.00 0.00 O ATOM 437 CB LYS A 27 -6.497 10.350 -12.141 1.00 0.00 C ATOM 438 CG LYS A 27 -7.122 8.975 -12.437 1.00 0.00 C ATOM 439 CD LYS A 27 -8.327 8.647 -11.550 1.00 0.00 C ATOM 440 CE LYS A 27 -8.881 7.224 -11.737 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.821 7.109 -12.878 1.00 0.00 N ATOM 0 H LYS A 27 -4.125 9.788 -12.730 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.351 11.436 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.289 11.005 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.146 10.767 -13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.431 8.943 -13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.363 8.204 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.042 8.779 -10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.122 9.364 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.050 6.534 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.389 6.916 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.185 6.136 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.614 7.769 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.324 7.341 -13.762 1.00 0.00 H new ATOM 455 N ARG A 28 -4.643 8.522 -9.684 1.00 0.00 N ATOM 456 CA ARG A 28 -4.558 7.691 -8.476 1.00 0.00 C ATOM 457 C ARG A 28 -3.187 7.841 -7.797 1.00 0.00 C ATOM 458 O ARG A 28 -2.809 6.981 -7.004 1.00 0.00 O ATOM 459 CB ARG A 28 -4.871 6.218 -8.835 1.00 0.00 C ATOM 460 CG ARG A 28 -6.285 5.908 -9.360 1.00 0.00 C ATOM 461 CD ARG A 28 -7.417 6.095 -8.335 1.00 0.00 C ATOM 462 NE ARG A 28 -7.711 7.513 -8.065 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.647 8.009 -7.249 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.471 7.206 -6.582 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.733 9.327 -7.122 1.00 0.00 N ATOM 0 H ARG A 28 -3.978 8.234 -10.402 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.302 8.030 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.152 5.893 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.699 5.610 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.485 6.548 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.306 4.878 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.319 5.605 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.143 5.601 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.134 8.195 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.395 6.194 -6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.179 7.602 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.095 9.932 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.437 9.735 -6.507 1.00 0.00 H new ATOM 479 N LYS A 29 -2.448 8.925 -8.082 1.00 0.00 N ATOM 480 CA LYS A 29 -1.095 9.229 -7.595 1.00 0.00 C ATOM 481 C LYS A 29 -0.132 8.031 -7.617 1.00 0.00 C ATOM 482 O LYS A 29 0.771 7.934 -6.782 1.00 0.00 O ATOM 483 CB LYS A 29 -1.143 10.006 -6.260 1.00 0.00 C ATOM 484 CG LYS A 29 -1.732 9.234 -5.065 1.00 0.00 C ATOM 485 CD LYS A 29 -1.603 10.043 -3.768 1.00 0.00 C ATOM 486 CE LYS A 29 -2.204 9.257 -2.595 1.00 0.00 C ATOM 487 NZ LYS A 29 -2.106 9.998 -1.313 1.00 0.00 N ATOM 0 H LYS A 29 -2.802 9.657 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.640 9.905 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.130 10.318 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.729 10.913 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.782 9.010 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.217 8.280 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.554 10.262 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.114 11.000 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.250 9.037 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.690 8.301 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.524 9.428 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.106 10.186 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.618 10.899 -1.393 1.00 0.00 H new ATOM 501 N LEU A 30 -0.310 7.119 -8.575 1.00 0.00 N ATOM 502 CA LEU A 30 0.614 6.022 -8.833 1.00 0.00 C ATOM 503 C LEU A 30 1.866 6.583 -9.514 1.00 0.00 C ATOM 504 O LEU A 30 1.831 7.671 -10.096 1.00 0.00 O ATOM 505 CB LEU A 30 -0.063 4.971 -9.731 1.00 0.00 C ATOM 506 CG LEU A 30 -1.303 4.289 -9.126 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.844 3.258 -10.117 1.00 0.00 C ATOM 508 CD2 LEU A 30 -0.996 3.601 -7.795 1.00 0.00 C ATOM 0 H LEU A 30 -1.115 7.126 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 30 0.896 5.542 -7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.352 5.449 -10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.669 4.203 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.045 5.063 -8.932 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.723 2.772 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.118 3.756 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.077 2.510 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.902 3.135 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.232 2.838 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.634 4.339 -7.079 1.00 0.00 H new ATOM 520 N ALA A 31 2.961 5.820 -9.487 1.00 0.00 N ATOM 521 CA ALA A 31 4.223 6.167 -10.133 1.00 0.00 C ATOM 522 C ALA A 31 4.863 4.882 -10.655 1.00 0.00 C ATOM 523 O ALA A 31 4.780 3.852 -9.981 1.00 0.00 O ATOM 524 CB ALA A 31 5.135 6.852 -9.110 1.00 0.00 C ATOM 0 H ALA A 31 2.993 4.923 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 31 4.061 6.852 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.081 7.115 -9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.651 7.756 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.323 6.173 -8.278 1.00 0.00 H new ATOM 530 N GLY A 32 5.480 4.933 -11.839 1.00 0.00 N ATOM 531 CA GLY A 32 5.986 3.756 -12.532 1.00 0.00 C ATOM 532 C GLY A 32 6.170 3.996 -14.025 1.00 0.00 C ATOM 533 O GLY A 32 6.347 5.143 -14.439 1.00 0.00 O ATOM 0 H GLY A 32 5.641 5.804 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.940 3.462 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.296 2.925 -12.383 1.00 0.00 H new ATOM 537 N TRP A 33 6.122 2.944 -14.849 1.00 0.00 N ATOM 538 CA TRP A 33 6.369 3.038 -16.284 1.00 0.00 C ATOM 539 C TRP A 33 5.305 2.322 -17.117 1.00 0.00 C ATOM 540 O TRP A 33 4.575 1.457 -16.627 1.00 0.00 O ATOM 541 CB TRP A 33 7.793 2.567 -16.641 1.00 0.00 C ATOM 542 CG TRP A 33 8.149 1.102 -16.553 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.487 0.065 -17.125 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.343 0.500 -15.955 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.164 -1.115 -16.906 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.333 -0.904 -16.213 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.456 1.005 -15.248 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.370 -1.756 -15.801 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.497 0.161 -14.818 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.457 -1.218 -15.093 1.00 0.00 C ATOM 0 H TRP A 33 5.909 1.998 -14.532 1.00 0.00 H new ATOM 0 HA TRP A 33 6.295 4.094 -16.545 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.994 2.888 -17.663 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.485 3.108 -15.995 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.561 0.152 -17.674 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.839 -2.030 -17.219 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.510 2.062 -15.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.332 -2.812 -16.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.332 0.575 -14.273 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.259 -1.860 -14.761 1.00 0.00 H new ATOM 561 N VAL A 34 5.285 2.638 -18.411 1.00 0.00 N ATOM 562 CA VAL A 34 4.590 1.876 -19.441 1.00 0.00 C ATOM 563 C VAL A 34 5.588 1.637 -20.573 1.00 0.00 C ATOM 564 O VAL A 34 6.386 2.527 -20.884 1.00 0.00 O ATOM 565 CB VAL A 34 3.287 2.593 -19.845 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.542 3.975 -20.447 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.451 1.765 -20.828 1.00 0.00 C ATOM 0 H VAL A 34 5.768 3.457 -18.780 1.00 0.00 H new ATOM 0 HA VAL A 34 4.256 0.899 -19.093 1.00 0.00 H new ATOM 0 HB VAL A 34 2.727 2.715 -18.918 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.591 4.437 -20.714 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.057 4.600 -19.717 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.160 3.875 -21.339 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.543 2.311 -21.083 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.030 1.581 -21.733 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.185 0.814 -20.368 1.00 0.00 H new ATOM 577 N LYS A 35 5.566 0.447 -21.182 1.00 0.00 N ATOM 578 CA LYS A 35 6.457 0.102 -22.284 1.00 0.00 C ATOM 579 C LYS A 35 5.651 -0.535 -23.400 1.00 0.00 C ATOM 580 O LYS A 35 4.792 -1.375 -23.129 1.00 0.00 O ATOM 581 CB LYS A 35 7.574 -0.876 -21.868 1.00 0.00 C ATOM 582 CG LYS A 35 8.296 -0.573 -20.544 1.00 0.00 C ATOM 583 CD LYS A 35 9.744 -1.095 -20.541 1.00 0.00 C ATOM 584 CE LYS A 35 9.883 -2.597 -20.855 1.00 0.00 C ATOM 585 NZ LYS A 35 9.955 -3.445 -19.641 1.00 0.00 N ATOM 0 H LYS A 35 4.926 -0.303 -20.920 1.00 0.00 H new ATOM 0 HA LYS A 35 6.930 1.028 -22.612 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.144 -1.875 -21.801 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.318 -0.902 -22.664 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.299 0.503 -20.371 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.746 -1.027 -19.720 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.322 -0.529 -21.271 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.185 -0.899 -19.564 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.035 -2.914 -21.462 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.780 -2.755 -21.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.843 -4.444 -19.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.877 -3.312 -19.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.196 -3.175 -18.984 1.00 0.00 H new ATOM 599 N ASN A 36 5.973 -0.210 -24.651 1.00 0.00 N ATOM 600 CA ASN A 36 5.618 -1.077 -25.774 1.00 0.00 C ATOM 601 C ASN A 36 6.424 -2.380 -25.647 1.00 0.00 C ATOM 602 O ASN A 36 7.566 -2.341 -25.179 1.00 0.00 O ATOM 603 CB ASN A 36 5.954 -0.369 -27.096 1.00 0.00 C ATOM 604 CG ASN A 36 5.559 -1.226 -28.295 1.00 0.00 C ATOM 605 OD1 ASN A 36 6.356 -2.007 -28.804 1.00 0.00 O ATOM 606 ND2 ASN A 36 4.324 -1.109 -28.750 1.00 0.00 N ATOM 0 H ASN A 36 6.474 0.639 -24.912 1.00 0.00 H new ATOM 0 HA ASN A 36 4.551 -1.300 -25.763 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.434 0.588 -27.142 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.022 -0.153 -27.135 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.016 -1.675 -29.541 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.679 -0.453 -28.311 1.00 0.00 H new ATOM 613 N ARG A 37 5.880 -3.517 -26.090 1.00 0.00 N ATOM 614 CA ARG A 37 6.600 -4.788 -26.171 1.00 0.00 C ATOM 615 C ARG A 37 6.493 -5.335 -27.586 1.00 0.00 C ATOM 616 O ARG A 37 5.439 -5.238 -28.219 1.00 0.00 O ATOM 617 CB ARG A 37 6.001 -5.826 -25.211 1.00 0.00 C ATOM 618 CG ARG A 37 6.427 -5.673 -23.747 1.00 0.00 C ATOM 619 CD ARG A 37 5.885 -6.874 -22.958 1.00 0.00 C ATOM 620 NE ARG A 37 6.544 -7.009 -21.645 1.00 0.00 N ATOM 621 CZ ARG A 37 6.744 -8.140 -20.959 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.332 -9.318 -21.424 1.00 0.00 N ATOM 623 NH2 ARG A 37 7.363 -8.058 -19.790 1.00 0.00 N ATOM 0 H ARG A 37 4.912 -3.580 -26.407 1.00 0.00 H new ATOM 0 HA ARG A 37 7.640 -4.606 -25.898 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.914 -5.766 -25.266 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.283 -6.822 -25.554 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.513 -5.628 -23.671 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.039 -4.742 -23.334 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.810 -6.760 -22.815 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.035 -7.786 -23.536 1.00 0.00 H new ATOM 0 HE ARG A 37 6.883 -6.149 -21.215 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.852 -9.372 -22.322 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.497 -10.166 -20.882 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.671 -7.151 -19.439 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.531 -8.901 -19.242 1.00 0.00 H new ATOM 637 N ASP A 38 7.559 -5.996 -28.038 1.00 0.00 N ATOM 638 CA ASP A 38 7.517 -6.861 -29.211 1.00 0.00 C ATOM 639 C ASP A 38 6.454 -7.946 -28.964 1.00 0.00 C ATOM 640 O ASP A 38 6.495 -8.594 -27.917 1.00 0.00 O ATOM 641 CB ASP A 38 8.894 -7.495 -29.440 1.00 0.00 C ATOM 642 CG ASP A 38 8.861 -8.496 -30.604 1.00 0.00 C ATOM 643 OD1 ASP A 38 8.939 -8.061 -31.774 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.798 -9.721 -30.355 1.00 0.00 O ATOM 0 H ASP A 38 8.478 -5.945 -27.598 1.00 0.00 H new ATOM 0 HA ASP A 38 7.259 -6.288 -30.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.626 -6.715 -29.649 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.219 -8.001 -28.531 1.00 0.00 H new ATOM 649 N ASP A 39 5.453 -8.168 -29.822 1.00 0.00 N ATOM 650 CA ASP A 39 5.204 -7.578 -31.144 1.00 0.00 C ATOM 651 C ASP A 39 3.833 -6.879 -31.154 1.00 0.00 C ATOM 652 O ASP A 39 3.129 -6.870 -32.167 1.00 0.00 O ATOM 653 CB ASP A 39 5.322 -8.680 -32.213 1.00 0.00 C ATOM 654 CG ASP A 39 5.223 -8.140 -33.653 1.00 0.00 C ATOM 655 OD1 ASP A 39 5.848 -7.105 -33.976 1.00 0.00 O ATOM 656 OD2 ASP A 39 4.557 -8.785 -34.497 1.00 0.00 O ATOM 0 H ASP A 39 4.720 -8.835 -29.583 1.00 0.00 H new ATOM 0 HA ASP A 39 5.947 -6.814 -31.374 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.274 -9.197 -32.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.536 -9.418 -32.053 1.00 0.00 H new ATOM 661 N GLY A 40 3.409 -6.331 -30.008 1.00 0.00 N ATOM 662 CA GLY A 40 2.151 -5.589 -29.914 1.00 0.00 C ATOM 663 C GLY A 40 1.612 -5.466 -28.493 1.00 0.00 C ATOM 664 O GLY A 40 0.745 -4.623 -28.247 1.00 0.00 O ATOM 0 H GLY A 40 3.924 -6.390 -29.130 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.298 -4.590 -30.324 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.403 -6.081 -30.535 1.00 0.00 H new ATOM 668 N ARG A 41 2.106 -6.285 -27.553 1.00 0.00 N ATOM 669 CA ARG A 41 1.767 -6.137 -26.139 1.00 0.00 C ATOM 670 C ARG A 41 2.182 -4.747 -25.649 1.00 0.00 C ATOM 671 O ARG A 41 3.068 -4.097 -26.212 1.00 0.00 O ATOM 672 CB ARG A 41 2.420 -7.252 -25.285 1.00 0.00 C ATOM 673 CG ARG A 41 1.445 -8.360 -24.846 1.00 0.00 C ATOM 674 CD ARG A 41 0.943 -9.214 -26.017 1.00 0.00 C ATOM 675 NE ARG A 41 -0.159 -10.103 -25.603 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.750 -11.025 -26.375 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.306 -11.267 -27.607 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.791 -11.699 -25.904 1.00 0.00 N ATOM 0 H ARG A 41 2.743 -7.057 -27.752 1.00 0.00 H new ATOM 0 HA ARG A 41 0.688 -6.238 -26.027 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.232 -7.703 -25.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.865 -6.802 -24.398 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.939 -9.004 -24.119 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.592 -7.907 -24.342 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.604 -8.564 -26.824 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.765 -9.811 -26.412 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.501 -10.008 -24.647 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.492 -10.748 -27.972 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.764 -11.971 -28.185 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.135 -11.513 -24.962 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.248 -12.403 -26.484 1.00 0.00 H new ATOM 692 N VAL A 42 1.604 -4.344 -24.528 1.00 0.00 N ATOM 693 CA VAL A 42 2.065 -3.236 -23.715 1.00 0.00 C ATOM 694 C VAL A 42 2.277 -3.813 -22.327 1.00 0.00 C ATOM 695 O VAL A 42 1.554 -4.716 -21.911 1.00 0.00 O ATOM 696 CB VAL A 42 1.027 -2.098 -23.733 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.336 -0.991 -22.712 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.955 -1.475 -25.128 1.00 0.00 C ATOM 0 H VAL A 42 0.773 -4.797 -24.149 1.00 0.00 H new ATOM 0 HA VAL A 42 2.990 -2.795 -24.086 1.00 0.00 H new ATOM 0 HB VAL A 42 0.072 -2.547 -23.460 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.571 -0.217 -22.771 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.346 -1.415 -21.708 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.310 -0.555 -22.932 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.218 -0.672 -25.130 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.931 -1.073 -25.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.664 -2.236 -25.852 1.00 0.00 H new ATOM 708 N GLU A 43 3.254 -3.277 -21.611 1.00 0.00 N ATOM 709 CA GLU A 43 3.572 -3.623 -20.244 1.00 0.00 C ATOM 710 C GLU A 43 3.361 -2.374 -19.403 1.00 0.00 C ATOM 711 O GLU A 43 3.675 -1.271 -19.853 1.00 0.00 O ATOM 712 CB GLU A 43 5.035 -4.063 -20.212 1.00 0.00 C ATOM 713 CG GLU A 43 5.521 -4.460 -18.818 1.00 0.00 C ATOM 714 CD GLU A 43 7.048 -4.487 -18.789 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.653 -5.349 -19.466 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.651 -3.597 -18.147 1.00 0.00 O ATOM 0 H GLU A 43 3.871 -2.558 -21.989 1.00 0.00 H new ATOM 0 HA GLU A 43 2.948 -4.428 -19.857 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.167 -4.907 -20.889 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.659 -3.252 -20.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.147 -3.753 -18.078 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.126 -5.440 -18.551 1.00 0.00 H new ATOM 723 N ILE A 44 2.857 -2.544 -18.183 1.00 0.00 N ATOM 724 CA ILE A 44 2.550 -1.466 -17.269 1.00 0.00 C ATOM 725 C ILE A 44 3.067 -1.923 -15.898 1.00 0.00 C ATOM 726 O ILE A 44 2.842 -3.067 -15.494 1.00 0.00 O ATOM 727 CB ILE A 44 1.024 -1.182 -17.269 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.326 -1.386 -18.643 1.00 0.00 C ATOM 729 CG2 ILE A 44 0.798 0.251 -16.751 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.189 -1.145 -18.628 1.00 0.00 C ATOM 0 H ILE A 44 2.648 -3.466 -17.800 1.00 0.00 H new ATOM 0 HA ILE A 44 3.024 -0.527 -17.554 1.00 0.00 H new ATOM 0 HB ILE A 44 0.560 -1.919 -16.614 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.781 -0.714 -19.371 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.516 -2.403 -18.986 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.270 0.471 -16.743 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.194 0.339 -15.739 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.309 0.959 -17.404 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.593 -1.309 -19.627 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.660 -1.835 -17.928 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.391 -0.119 -18.319 1.00 0.00 H new ATOM 742 N LEU A 45 3.760 -1.037 -15.185 1.00 0.00 N ATOM 743 CA LEU A 45 4.373 -1.282 -13.883 1.00 0.00 C ATOM 744 C LEU A 45 4.126 -0.017 -13.063 1.00 0.00 C ATOM 745 O LEU A 45 4.359 1.073 -13.588 1.00 0.00 O ATOM 746 CB LEU A 45 5.888 -1.502 -14.082 1.00 0.00 C ATOM 747 CG LEU A 45 6.658 -1.709 -12.760 1.00 0.00 C ATOM 748 CD1 LEU A 45 6.578 -3.155 -12.271 1.00 0.00 C ATOM 749 CD2 LEU A 45 8.135 -1.319 -12.885 1.00 0.00 C ATOM 0 H LEU A 45 3.916 -0.085 -15.516 1.00 0.00 H new ATOM 0 HA LEU A 45 3.962 -2.160 -13.385 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.040 -2.371 -14.722 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.306 -0.643 -14.606 1.00 0.00 H new ATOM 0 HG LEU A 45 6.174 -1.055 -12.035 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.133 -3.255 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.535 -3.425 -12.103 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.008 -3.817 -13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.636 -1.481 -11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.609 -1.931 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.212 -0.267 -13.161 1.00 0.00 H new ATOM 761 N ALA A 46 3.654 -0.126 -11.818 1.00 0.00 N ATOM 762 CA ALA A 46 3.610 1.003 -10.899 1.00 0.00 C ATOM 763 C ALA A 46 3.546 0.524 -9.455 1.00 0.00 C ATOM 764 O ALA A 46 3.030 -0.564 -9.182 1.00 0.00 O ATOM 765 CB ALA A 46 2.378 1.871 -11.172 1.00 0.00 C ATOM 0 H ALA A 46 3.295 -0.996 -11.425 1.00 0.00 H new ATOM 0 HA ALA A 46 4.518 1.585 -11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.362 2.709 -10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.418 2.249 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.476 1.274 -11.041 1.00 0.00 H new ATOM 771 N GLU A 47 3.959 1.399 -8.537 1.00 0.00 N ATOM 772 CA GLU A 47 3.807 1.226 -7.102 1.00 0.00 C ATOM 773 C GLU A 47 2.729 2.184 -6.584 1.00 0.00 C ATOM 774 O GLU A 47 2.508 3.258 -7.155 1.00 0.00 O ATOM 775 CB GLU A 47 5.149 1.376 -6.362 1.00 0.00 C ATOM 776 CG GLU A 47 5.823 2.753 -6.478 1.00 0.00 C ATOM 777 CD GLU A 47 7.027 2.870 -5.524 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.017 2.124 -5.697 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.983 3.716 -4.601 1.00 0.00 O ATOM 0 H GLU A 47 4.422 2.273 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 47 3.477 0.207 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.987 1.159 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.838 0.621 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.153 2.913 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.099 3.535 -6.250 1.00 0.00 H new ATOM 786 N GLY A 48 2.057 1.789 -5.502 1.00 0.00 N ATOM 787 CA GLY A 48 1.022 2.567 -4.839 1.00 0.00 C ATOM 788 C GLY A 48 0.282 1.717 -3.806 1.00 0.00 C ATOM 789 O GLY A 48 0.600 0.536 -3.642 1.00 0.00 O ATOM 0 H GLY A 48 2.227 0.889 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.468 3.433 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.316 2.946 -5.578 1.00 0.00 H new ATOM 793 N PRO A 49 -0.687 2.289 -3.077 1.00 0.00 N ATOM 794 CA PRO A 49 -1.553 1.518 -2.198 1.00 0.00 C ATOM 795 C PRO A 49 -2.491 0.627 -3.022 1.00 0.00 C ATOM 796 O PRO A 49 -2.812 0.933 -4.172 1.00 0.00 O ATOM 797 CB PRO A 49 -2.292 2.553 -1.344 1.00 0.00 C ATOM 798 CG PRO A 49 -2.302 3.811 -2.210 1.00 0.00 C ATOM 799 CD PRO A 49 -1.028 3.701 -3.049 1.00 0.00 C ATOM 0 HA PRO A 49 -1.004 0.830 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.304 2.225 -1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.782 2.725 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.191 3.854 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.300 4.714 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.190 4.083 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.221 4.289 -2.612 1.00 0.00 H new ATOM 807 N GLU A 50 -2.957 -0.473 -2.422 1.00 0.00 N ATOM 808 CA GLU A 50 -3.723 -1.512 -3.109 1.00 0.00 C ATOM 809 C GLU A 50 -4.973 -0.940 -3.786 1.00 0.00 C ATOM 810 O GLU A 50 -5.254 -1.273 -4.936 1.00 0.00 O ATOM 811 CB GLU A 50 -4.081 -2.612 -2.096 1.00 0.00 C ATOM 812 CG GLU A 50 -4.760 -3.828 -2.744 1.00 0.00 C ATOM 813 CD GLU A 50 -5.108 -4.899 -1.694 1.00 0.00 C ATOM 814 OE1 GLU A 50 -4.254 -5.762 -1.384 1.00 0.00 O ATOM 815 OE2 GLU A 50 -6.247 -4.900 -1.175 1.00 0.00 O ATOM 0 H GLU A 50 -2.809 -0.667 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.114 -1.939 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.174 -2.938 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.742 -2.196 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.668 -3.510 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.101 -4.256 -3.499 1.00 0.00 H new ATOM 822 N ASN A 51 -5.703 -0.047 -3.106 1.00 0.00 N ATOM 823 CA ASN A 51 -6.922 0.545 -3.659 1.00 0.00 C ATOM 824 C ASN A 51 -6.622 1.396 -4.893 1.00 0.00 C ATOM 825 O ASN A 51 -7.364 1.330 -5.873 1.00 0.00 O ATOM 826 CB ASN A 51 -7.636 1.396 -2.599 1.00 0.00 C ATOM 827 CG ASN A 51 -8.838 2.121 -3.203 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.776 3.312 -3.490 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.943 1.426 -3.421 1.00 0.00 N ATOM 0 H ASN A 51 -5.467 0.281 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.575 -0.273 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.965 0.760 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.940 2.123 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.758 1.880 -3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.979 0.436 -3.177 1.00 0.00 H new ATOM 836 N ALA A 52 -5.537 2.176 -4.868 1.00 0.00 N ATOM 837 CA ALA A 52 -5.134 3.008 -5.996 1.00 0.00 C ATOM 838 C ALA A 52 -4.772 2.125 -7.190 1.00 0.00 C ATOM 839 O ALA A 52 -5.247 2.355 -8.305 1.00 0.00 O ATOM 840 CB ALA A 52 -3.940 3.877 -5.576 1.00 0.00 C ATOM 0 H ALA A 52 -4.916 2.245 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.958 3.657 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.632 4.502 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.228 4.511 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.110 3.236 -5.278 1.00 0.00 H new ATOM 846 N LEU A 53 -3.964 1.092 -6.937 1.00 0.00 N ATOM 847 CA LEU A 53 -3.518 0.143 -7.947 1.00 0.00 C ATOM 848 C LEU A 53 -4.718 -0.550 -8.582 1.00 0.00 C ATOM 849 O LEU A 53 -4.836 -0.578 -9.803 1.00 0.00 O ATOM 850 CB LEU A 53 -2.563 -0.879 -7.313 1.00 0.00 C ATOM 851 CG LEU A 53 -1.192 -0.303 -6.910 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.486 -1.336 -6.040 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.269 0.034 -8.084 1.00 0.00 C ATOM 0 H LEU A 53 -3.598 0.893 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.981 0.676 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.039 -1.304 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.407 -1.698 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.391 0.636 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.489 -0.953 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.086 -1.536 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.355 -2.259 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.672 0.433 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.073 -0.868 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.748 0.778 -8.721 1.00 0.00 H new ATOM 865 N GLN A 54 -5.635 -1.075 -7.771 1.00 0.00 N ATOM 866 CA GLN A 54 -6.800 -1.787 -8.273 1.00 0.00 C ATOM 867 C GLN A 54 -7.767 -0.857 -9.006 1.00 0.00 C ATOM 868 O GLN A 54 -8.326 -1.259 -10.024 1.00 0.00 O ATOM 869 CB GLN A 54 -7.492 -2.567 -7.144 1.00 0.00 C ATOM 870 CG GLN A 54 -6.715 -3.845 -6.776 1.00 0.00 C ATOM 871 CD GLN A 54 -6.642 -4.848 -7.938 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.640 -5.149 -8.589 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.468 -5.370 -8.250 1.00 0.00 N ATOM 0 H GLN A 54 -5.589 -1.017 -6.754 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.454 -2.512 -9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.583 -1.930 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.504 -2.832 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.704 -3.576 -6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.192 -4.321 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.639 -5.121 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.391 -6.022 -9.031 1.00 0.00 H new ATOM 882 N SER A 55 -7.929 0.389 -8.560 1.00 0.00 N ATOM 883 CA SER A 55 -8.748 1.367 -9.275 1.00 0.00 C ATOM 884 C SER A 55 -8.173 1.616 -10.675 1.00 0.00 C ATOM 885 O SER A 55 -8.918 1.641 -11.657 1.00 0.00 O ATOM 886 CB SER A 55 -8.838 2.674 -8.481 1.00 0.00 C ATOM 887 OG SER A 55 -9.395 2.458 -7.197 1.00 0.00 O ATOM 0 H SER A 55 -7.502 0.745 -7.705 1.00 0.00 H new ATOM 0 HA SER A 55 -9.756 0.968 -9.384 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.844 3.110 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.448 3.393 -9.028 1.00 0.00 H new ATOM 0 HG SER A 55 -8.812 1.860 -6.684 1.00 0.00 H new ATOM 893 N PHE A 56 -6.847 1.743 -10.789 1.00 0.00 N ATOM 894 CA PHE A 56 -6.193 1.826 -12.083 1.00 0.00 C ATOM 895 C PHE A 56 -6.449 0.554 -12.906 1.00 0.00 C ATOM 896 O PHE A 56 -6.808 0.668 -14.076 1.00 0.00 O ATOM 897 CB PHE A 56 -4.697 2.109 -11.903 1.00 0.00 C ATOM 898 CG PHE A 56 -3.937 1.929 -13.196 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.817 2.996 -14.101 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.476 0.647 -13.555 1.00 0.00 C ATOM 901 CE1 PHE A 56 -3.290 2.761 -15.379 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.901 0.435 -14.814 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.826 1.485 -15.735 1.00 0.00 C ATOM 0 H PHE A 56 -6.211 1.790 -9.993 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.619 2.658 -12.644 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.560 3.127 -11.539 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.289 1.441 -11.144 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.128 3.990 -13.815 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.566 -0.173 -12.858 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.241 3.568 -16.095 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.515 -0.540 -15.074 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.412 1.314 -16.718 1.00 0.00 H new ATOM 913 N VAL A 57 -6.303 -0.646 -12.332 1.00 0.00 N ATOM 914 CA VAL A 57 -6.530 -1.893 -13.066 1.00 0.00 C ATOM 915 C VAL A 57 -7.960 -1.911 -13.624 1.00 0.00 C ATOM 916 O VAL A 57 -8.151 -2.263 -14.789 1.00 0.00 O ATOM 917 CB VAL A 57 -6.210 -3.115 -12.172 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.634 -4.451 -12.804 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.704 -3.213 -11.873 1.00 0.00 C ATOM 0 H VAL A 57 -6.028 -0.778 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.852 -1.953 -13.917 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.781 -2.951 -11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.383 -5.269 -12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.709 -4.444 -12.982 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.111 -4.588 -13.750 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.514 -4.082 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.153 -3.315 -12.808 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.376 -2.311 -11.356 1.00 0.00 H new ATOM 929 N GLU A 58 -8.956 -1.475 -12.846 1.00 0.00 N ATOM 930 CA GLU A 58 -10.334 -1.379 -13.312 1.00 0.00 C ATOM 931 C GLU A 58 -10.450 -0.379 -14.464 1.00 0.00 C ATOM 932 O GLU A 58 -11.131 -0.662 -15.447 1.00 0.00 O ATOM 933 CB GLU A 58 -11.270 -0.987 -12.157 1.00 0.00 C ATOM 934 CG GLU A 58 -11.452 -2.098 -11.114 1.00 0.00 C ATOM 935 CD GLU A 58 -12.294 -3.273 -11.645 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.542 -3.215 -11.561 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.720 -4.273 -12.131 1.00 0.00 O ATOM 0 H GLU A 58 -8.825 -1.180 -11.878 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.637 -2.359 -13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.875 -0.098 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.245 -0.719 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.474 -2.466 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.931 -1.684 -10.227 1.00 0.00 H new ATOM 944 N ALA A 59 -9.756 0.759 -14.378 1.00 0.00 N ATOM 945 CA ALA A 59 -9.732 1.765 -15.438 1.00 0.00 C ATOM 946 C ALA A 59 -9.180 1.192 -16.753 1.00 0.00 C ATOM 947 O ALA A 59 -9.705 1.523 -17.818 1.00 0.00 O ATOM 948 CB ALA A 59 -8.936 2.997 -14.983 1.00 0.00 C ATOM 0 H ALA A 59 -9.192 1.008 -13.565 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.759 2.074 -15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.926 3.739 -15.782 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.403 3.425 -14.096 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.913 2.703 -14.748 1.00 0.00 H new ATOM 954 N VAL A 60 -8.167 0.317 -16.702 1.00 0.00 N ATOM 955 CA VAL A 60 -7.690 -0.388 -17.895 1.00 0.00 C ATOM 956 C VAL A 60 -8.780 -1.365 -18.356 1.00 0.00 C ATOM 957 O VAL A 60 -9.243 -1.291 -19.496 1.00 0.00 O ATOM 958 CB VAL A 60 -6.362 -1.140 -17.627 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.831 -1.784 -18.916 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.257 -0.223 -17.090 1.00 0.00 C ATOM 0 H VAL A 60 -7.663 0.082 -15.847 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.486 0.343 -18.678 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.600 -1.893 -16.876 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.898 -2.306 -18.704 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.565 -2.493 -19.298 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.652 -1.010 -19.662 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.351 -0.805 -16.921 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.053 0.564 -17.816 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.581 0.225 -16.151 1.00 0.00 H new ATOM 970 N LYS A 61 -9.194 -2.283 -17.473 1.00 0.00 N ATOM 971 CA LYS A 61 -10.035 -3.427 -17.819 1.00 0.00 C ATOM 972 C LYS A 61 -11.384 -2.987 -18.384 1.00 0.00 C ATOM 973 O LYS A 61 -11.904 -3.638 -19.290 1.00 0.00 O ATOM 974 CB LYS A 61 -10.168 -4.326 -16.574 1.00 0.00 C ATOM 975 CG LYS A 61 -10.882 -5.669 -16.821 1.00 0.00 C ATOM 976 CD LYS A 61 -12.393 -5.622 -16.531 1.00 0.00 C ATOM 977 CE LYS A 61 -13.074 -6.982 -16.749 1.00 0.00 C ATOM 978 NZ LYS A 61 -13.135 -7.381 -18.179 1.00 0.00 N ATOM 0 H LYS A 61 -8.948 -2.248 -16.484 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.569 -4.004 -18.617 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.172 -4.527 -16.180 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.711 -3.778 -15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.728 -5.968 -17.858 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.424 -6.436 -16.196 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.553 -5.300 -15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.861 -4.877 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.535 -7.745 -16.188 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.086 -6.944 -16.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.604 -8.305 -18.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.673 -6.670 -18.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.171 -7.447 -18.562 1.00 0.00 H new ATOM 992 N ASN A 62 -11.943 -1.884 -17.879 1.00 0.00 N ATOM 993 CA ASN A 62 -13.215 -1.342 -18.347 1.00 0.00 C ATOM 994 C ASN A 62 -13.152 -0.892 -19.810 1.00 0.00 C ATOM 995 O ASN A 62 -14.187 -0.881 -20.479 1.00 0.00 O ATOM 996 CB ASN A 62 -13.642 -0.159 -17.464 1.00 0.00 C ATOM 997 CG ASN A 62 -15.012 0.373 -17.880 1.00 0.00 C ATOM 998 OD1 ASN A 62 -16.015 -0.329 -17.791 1.00 0.00 O ATOM 999 ND2 ASN A 62 -15.092 1.612 -18.335 1.00 0.00 N ATOM 0 H ASN A 62 -11.519 -1.340 -17.128 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.950 -2.144 -18.278 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.672 -0.473 -16.421 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.902 0.638 -17.536 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.995 1.995 -18.617 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.251 2.185 -18.404 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.968 -0.528 -20.321 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.829 0.042 -21.656 1.00 0.00 C ATOM 1008 C GLY A 63 -12.651 1.327 -21.776 1.00 0.00 C ATOM 1009 O GLY A 63 -13.455 1.461 -22.699 1.00 0.00 O ATOM 0 H GLY A 63 -11.086 -0.622 -19.818 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.779 0.254 -21.860 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.160 -0.680 -22.403 1.00 0.00 H new ATOM 1013 N SER A 64 -12.520 2.221 -20.790 1.00 0.00 N ATOM 1014 CA SER A 64 -13.249 3.482 -20.719 1.00 0.00 C ATOM 1015 C SER A 64 -13.096 4.369 -21.978 1.00 0.00 C ATOM 1016 O SER A 64 -14.126 4.842 -22.470 1.00 0.00 O ATOM 1017 CB SER A 64 -12.842 4.224 -19.436 1.00 0.00 C ATOM 1018 OG SER A 64 -12.805 3.325 -18.336 1.00 0.00 O ATOM 0 H SER A 64 -11.887 2.080 -20.002 1.00 0.00 H new ATOM 0 HA SER A 64 -14.313 3.247 -20.685 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.864 4.686 -19.570 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.549 5.028 -19.233 1.00 0.00 H new ATOM 0 HG SER A 64 -12.543 3.810 -17.526 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.885 4.617 -22.527 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.722 5.389 -23.763 1.00 0.00 C ATOM 1026 C PRO A 65 -12.077 4.548 -25.006 1.00 0.00 C ATOM 1027 O PRO A 65 -12.571 3.424 -24.908 1.00 0.00 O ATOM 1028 CB PRO A 65 -10.255 5.847 -23.747 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.548 4.702 -23.033 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.573 4.262 -21.990 1.00 0.00 C ATOM 0 HA PRO A 65 -12.398 6.242 -23.815 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.867 5.995 -24.755 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.132 6.791 -23.216 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.297 3.893 -23.719 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.616 5.029 -22.571 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.505 3.190 -21.807 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.396 4.760 -21.037 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.815 5.089 -26.201 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.847 4.333 -27.456 1.00 0.00 C ATOM 1040 C PHE A 66 -10.834 3.175 -27.445 1.00 0.00 C ATOM 1041 O PHE A 66 -11.070 2.144 -28.080 1.00 0.00 O ATOM 1042 CB PHE A 66 -11.604 5.280 -28.647 1.00 0.00 C ATOM 1043 CG PHE A 66 -10.608 6.403 -28.390 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -9.225 6.139 -28.337 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -11.077 7.707 -28.127 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -8.326 7.163 -27.996 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -10.172 8.734 -27.806 1.00 0.00 C ATOM 1048 CZ PHE A 66 -8.796 8.461 -27.733 1.00 0.00 C ATOM 0 H PHE A 66 -11.573 6.072 -26.324 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.836 3.887 -27.563 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.252 4.690 -29.493 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -12.557 5.721 -28.940 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.856 5.149 -28.559 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -12.135 7.917 -28.172 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.269 6.952 -27.936 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.535 9.733 -27.615 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.101 9.247 -27.475 1.00 0.00 H new ATOM 1058 N SER A 67 -9.708 3.327 -26.749 1.00 0.00 N ATOM 1059 CA SER A 67 -8.727 2.274 -26.523 1.00 0.00 C ATOM 1060 C SER A 67 -9.332 1.212 -25.596 1.00 0.00 C ATOM 1061 O SER A 67 -10.044 1.559 -24.651 1.00 0.00 O ATOM 1062 CB SER A 67 -7.484 2.899 -25.881 1.00 0.00 C ATOM 1063 OG SER A 67 -7.234 4.201 -26.391 1.00 0.00 O ATOM 0 H SER A 67 -9.449 4.213 -26.316 1.00 0.00 H new ATOM 0 HA SER A 67 -8.449 1.799 -27.464 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.618 2.950 -24.800 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.619 2.262 -26.066 1.00 0.00 H new ATOM 0 HG SER A 67 -6.436 4.573 -25.961 1.00 0.00 H new ATOM 1069 N LYS A 68 -9.041 -0.074 -25.815 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.502 -1.134 -24.915 1.00 0.00 C ATOM 1071 C LYS A 68 -8.617 -2.359 -25.046 1.00 0.00 C ATOM 1072 O LYS A 68 -8.074 -2.622 -26.121 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.997 -1.482 -25.113 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.385 -2.371 -26.308 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.182 -1.712 -27.680 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.638 -2.610 -28.841 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.106 -2.848 -28.860 1.00 0.00 N ATOM 0 H LYS A 68 -8.489 -0.405 -26.606 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.419 -0.754 -23.897 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.348 -1.973 -24.205 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.548 -0.546 -25.202 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.798 -3.289 -26.269 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.432 -2.658 -26.207 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.735 -0.773 -27.713 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.128 -1.466 -27.808 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.339 -2.152 -29.784 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.123 -3.568 -28.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.359 -3.389 -29.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.381 -3.386 -28.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.605 -1.936 -28.868 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.525 -3.134 -23.971 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.858 -4.423 -23.991 1.00 0.00 C ATOM 1093 C VAL A 69 -8.814 -5.469 -24.571 1.00 0.00 C ATOM 1094 O VAL A 69 -10.034 -5.359 -24.430 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.372 -4.794 -22.573 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.337 -3.771 -22.090 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.485 -4.891 -21.516 1.00 0.00 C ATOM 0 H VAL A 69 -8.913 -2.882 -23.062 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.974 -4.382 -24.627 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.943 -5.791 -22.672 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.999 -4.040 -21.089 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.486 -3.765 -22.771 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.789 -2.779 -22.066 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.050 -5.156 -20.552 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.993 -3.930 -21.433 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.203 -5.656 -21.812 1.00 0.00 H new ATOM 1107 N THR A 70 -8.251 -6.516 -25.163 1.00 0.00 N ATOM 1108 CA THR A 70 -8.930 -7.766 -25.482 1.00 0.00 C ATOM 1109 C THR A 70 -8.210 -8.940 -24.789 1.00 0.00 C ATOM 1110 O THR A 70 -8.752 -10.044 -24.726 1.00 0.00 O ATOM 1111 CB THR A 70 -9.028 -7.936 -27.009 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.748 -7.831 -27.601 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.934 -6.870 -27.643 1.00 0.00 C ATOM 0 H THR A 70 -7.271 -6.517 -25.445 1.00 0.00 H new ATOM 0 HA THR A 70 -9.951 -7.749 -25.102 1.00 0.00 H new ATOM 0 HB THR A 70 -9.454 -8.923 -27.189 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.826 -7.943 -28.571 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.977 -7.024 -28.721 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.937 -6.950 -27.224 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.531 -5.879 -27.434 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.029 -8.697 -24.204 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.283 -9.618 -23.360 1.00 0.00 C ATOM 1123 C ASP A 71 -5.551 -8.778 -22.315 1.00 0.00 C ATOM 1124 O ASP A 71 -4.983 -7.734 -22.641 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.277 -10.409 -24.206 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.301 -11.211 -23.334 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.760 -12.009 -22.488 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.072 -11.075 -23.534 1.00 0.00 O ATOM 0 H ASP A 71 -6.550 -7.804 -24.318 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.950 -10.334 -22.880 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.814 -11.088 -24.868 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.717 -9.722 -24.840 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.592 -9.205 -21.057 1.00 0.00 N ATOM 1134 CA ILE A 72 -4.988 -8.523 -19.924 1.00 0.00 C ATOM 1135 C ILE A 72 -4.605 -9.601 -18.910 1.00 0.00 C ATOM 1136 O ILE A 72 -5.413 -10.485 -18.608 1.00 0.00 O ATOM 1137 CB ILE A 72 -5.950 -7.437 -19.363 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.434 -6.857 -18.024 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.416 -7.902 -19.218 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.021 -5.479 -17.675 1.00 0.00 C ATOM 0 H ILE A 72 -6.065 -10.069 -20.792 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.088 -7.976 -20.205 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.954 -6.650 -20.117 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.670 -7.556 -17.221 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.348 -6.778 -18.068 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.019 -7.086 -18.821 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.802 -8.197 -20.194 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.462 -8.752 -18.537 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.612 -5.140 -16.724 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.762 -4.765 -18.457 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.106 -5.555 -17.597 1.00 0.00 H new ATOM 1152 N SER A 73 -3.387 -9.513 -18.383 1.00 0.00 N ATOM 1153 CA SER A 73 -2.864 -10.411 -17.366 1.00 0.00 C ATOM 1154 C SER A 73 -2.145 -9.547 -16.340 1.00 0.00 C ATOM 1155 O SER A 73 -1.302 -8.725 -16.708 1.00 0.00 O ATOM 1156 CB SER A 73 -1.906 -11.429 -18.004 1.00 0.00 C ATOM 1157 OG SER A 73 -2.552 -12.190 -19.013 1.00 0.00 O ATOM 0 H SER A 73 -2.720 -8.793 -18.662 1.00 0.00 H new ATOM 0 HA SER A 73 -3.663 -10.978 -16.888 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.051 -10.906 -18.432 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.519 -12.097 -17.235 1.00 0.00 H new ATOM 0 HG SER A 73 -1.916 -12.827 -19.400 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.504 -9.717 -15.068 1.00 0.00 N ATOM 1164 CA VAL A 74 -2.112 -8.855 -13.969 1.00 0.00 C ATOM 1165 C VAL A 74 -1.492 -9.700 -12.853 1.00 0.00 C ATOM 1166 O VAL A 74 -1.906 -10.837 -12.608 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.359 -8.051 -13.537 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -4.511 -8.900 -12.975 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.018 -6.942 -12.533 1.00 0.00 C ATOM 0 H VAL A 74 -3.099 -10.490 -14.770 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.342 -8.138 -14.256 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.712 -7.610 -14.470 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.341 -8.250 -12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.843 -9.610 -13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.167 -9.443 -12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.927 -6.406 -12.260 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.575 -7.383 -11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.309 -6.248 -12.984 1.00 0.00 H new ATOM 1179 N THR A 75 -0.506 -9.123 -12.174 1.00 0.00 N ATOM 1180 CA THR A 75 0.149 -9.653 -10.990 1.00 0.00 C ATOM 1181 C THR A 75 0.290 -8.472 -10.018 1.00 0.00 C ATOM 1182 O THR A 75 0.308 -7.312 -10.445 1.00 0.00 O ATOM 1183 CB THR A 75 1.513 -10.262 -11.393 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.391 -11.115 -12.521 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.162 -11.087 -10.275 1.00 0.00 C ATOM 0 H THR A 75 -0.123 -8.220 -12.454 1.00 0.00 H new ATOM 0 HA THR A 75 -0.416 -10.453 -10.512 1.00 0.00 H new ATOM 0 HB THR A 75 2.142 -9.401 -11.618 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.270 -11.482 -12.750 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.115 -11.485 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.330 -10.452 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.503 -11.911 -10.001 1.00 0.00 H new ATOM 1193 N GLU A 76 0.415 -8.744 -8.720 1.00 0.00 N ATOM 1194 CA GLU A 76 0.710 -7.733 -7.712 1.00 0.00 C ATOM 1195 C GLU A 76 1.932 -8.190 -6.927 1.00 0.00 C ATOM 1196 O GLU A 76 2.184 -9.393 -6.792 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.496 -7.477 -6.800 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.654 -6.814 -7.559 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.804 -6.408 -6.625 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.359 -7.278 -5.915 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.202 -5.223 -6.653 1.00 0.00 O ATOM 0 H GLU A 76 0.313 -9.684 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 76 0.925 -6.780 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.835 -8.420 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.194 -6.840 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.285 -5.932 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.030 -7.501 -8.317 1.00 0.00 H new ATOM 1208 N SER A 77 2.701 -7.225 -6.435 1.00 0.00 N ATOM 1209 CA SER A 77 4.064 -7.425 -5.974 1.00 0.00 C ATOM 1210 C SER A 77 4.344 -6.503 -4.788 1.00 0.00 C ATOM 1211 O SER A 77 3.612 -5.540 -4.551 1.00 0.00 O ATOM 1212 CB SER A 77 5.034 -7.107 -7.128 1.00 0.00 C ATOM 1213 OG SER A 77 4.659 -7.695 -8.370 1.00 0.00 O ATOM 0 H SER A 77 2.383 -6.260 -6.345 1.00 0.00 H new ATOM 0 HA SER A 77 4.201 -8.459 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.095 -6.026 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.032 -7.454 -6.858 1.00 0.00 H new ATOM 0 HG SER A 77 5.291 -8.408 -8.599 1.00 0.00 H new ATOM 1219 N ARG A 78 5.421 -6.778 -4.048 1.00 0.00 N ATOM 1220 CA ARG A 78 5.886 -5.952 -2.926 1.00 0.00 C ATOM 1221 C ARG A 78 7.305 -5.427 -3.197 1.00 0.00 C ATOM 1222 O ARG A 78 7.899 -4.794 -2.324 1.00 0.00 O ATOM 1223 CB ARG A 78 5.823 -6.763 -1.611 1.00 0.00 C ATOM 1224 CG ARG A 78 4.432 -6.942 -0.977 1.00 0.00 C ATOM 1225 CD ARG A 78 3.430 -7.747 -1.817 1.00 0.00 C ATOM 1226 NE ARG A 78 2.312 -8.252 -1.001 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.305 -9.020 -1.442 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.250 -9.404 -2.717 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.346 -9.395 -0.602 1.00 0.00 N ATOM 0 H ARG A 78 6.007 -7.596 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 78 5.230 -5.088 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.241 -7.752 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.470 -6.278 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.551 -7.434 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.009 -5.956 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.040 -7.119 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.943 -8.585 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 78 2.303 -7.995 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.979 -9.114 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.479 -9.988 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.378 -9.099 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.422 -9.979 -0.933 1.00 0.00 H new ATOM 1243 N SER A 79 7.865 -5.688 -4.383 1.00 0.00 N ATOM 1244 CA SER A 79 9.242 -5.359 -4.736 1.00 0.00 C ATOM 1245 C SER A 79 9.488 -3.843 -4.753 1.00 0.00 C ATOM 1246 O SER A 79 10.596 -3.411 -4.425 1.00 0.00 O ATOM 1247 CB SER A 79 9.568 -5.978 -6.104 1.00 0.00 C ATOM 1248 OG SER A 79 8.913 -7.232 -6.277 1.00 0.00 O ATOM 0 H SER A 79 7.357 -6.145 -5.140 1.00 0.00 H new ATOM 0 HA SER A 79 9.902 -5.773 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.263 -5.294 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.646 -6.113 -6.196 1.00 0.00 H new ATOM 0 HG SER A 79 9.138 -7.600 -7.157 1.00 0.00 H new ATOM 1254 N LEU A 80 8.454 -3.052 -5.086 1.00 0.00 N ATOM 1255 CA LEU A 80 8.515 -1.602 -5.312 1.00 0.00 C ATOM 1256 C LEU A 80 9.502 -1.253 -6.439 1.00 0.00 C ATOM 1257 O LEU A 80 10.060 -2.139 -7.094 1.00 0.00 O ATOM 1258 CB LEU A 80 8.783 -0.837 -3.993 1.00 0.00 C ATOM 1259 CG LEU A 80 7.739 -1.057 -2.880 1.00 0.00 C ATOM 1260 CD1 LEU A 80 8.155 -0.283 -1.625 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.329 -0.612 -3.290 1.00 0.00 C ATOM 0 H LEU A 80 7.513 -3.424 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 80 7.537 -1.265 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.762 -1.131 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.835 0.229 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 80 7.705 -2.129 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.416 -0.440 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.128 -0.638 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.218 0.780 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.637 -0.791 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.339 0.451 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.008 -1.179 -4.164 1.00 0.00 H new ATOM 1273 N GLU A 81 9.643 0.036 -6.745 1.00 0.00 N ATOM 1274 CA GLU A 81 10.429 0.528 -7.882 1.00 0.00 C ATOM 1275 C GLU A 81 10.970 1.954 -7.679 1.00 0.00 C ATOM 1276 O GLU A 81 11.706 2.449 -8.534 1.00 0.00 O ATOM 1277 CB GLU A 81 9.585 0.422 -9.166 1.00 0.00 C ATOM 1278 CG GLU A 81 8.315 1.286 -9.133 1.00 0.00 C ATOM 1279 CD GLU A 81 7.268 0.765 -10.111 1.00 0.00 C ATOM 1280 OE1 GLU A 81 6.524 -0.160 -9.711 1.00 0.00 O ATOM 1281 OE2 GLU A 81 7.211 1.268 -11.251 1.00 0.00 O ATOM 0 H GLU A 81 9.208 0.782 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 81 11.313 -0.103 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.195 0.719 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.303 -0.619 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.903 1.292 -8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.567 2.317 -9.381 1.00 0.00 H new ATOM 1288 N GLY A 82 10.624 2.631 -6.578 1.00 0.00 N ATOM 1289 CA GLY A 82 11.200 3.910 -6.172 1.00 0.00 C ATOM 1290 C GLY A 82 10.814 5.082 -7.077 1.00 0.00 C ATOM 1291 O GLY A 82 11.351 6.180 -6.916 1.00 0.00 O ATOM 0 H GLY A 82 9.915 2.291 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.884 4.132 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.286 3.819 -6.156 1.00 0.00 H new ATOM 1295 N HIS A 83 9.912 4.871 -8.040 1.00 0.00 N ATOM 1296 CA HIS A 83 9.483 5.915 -8.956 1.00 0.00 C ATOM 1297 C HIS A 83 8.666 6.960 -8.192 1.00 0.00 C ATOM 1298 O HIS A 83 7.911 6.629 -7.276 1.00 0.00 O ATOM 1299 CB HIS A 83 8.678 5.312 -10.117 1.00 0.00 C ATOM 1300 CG HIS A 83 9.532 4.623 -11.157 1.00 0.00 C ATOM 1301 ND1 HIS A 83 10.569 3.736 -10.941 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.437 4.803 -12.513 1.00 0.00 C ATOM 1303 CE1 HIS A 83 11.073 3.388 -12.136 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.419 4.018 -13.130 1.00 0.00 N ATOM 0 H HIS A 83 9.463 3.970 -8.201 1.00 0.00 H new ATOM 0 HA HIS A 83 10.357 6.406 -9.384 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.961 4.596 -9.716 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.103 6.103 -10.598 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.895 3.404 -10.033 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.727 5.441 -13.018 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.891 2.697 -12.280 1.00 0.00 H new ATOM 1312 N HIS A 84 8.793 8.216 -8.623 1.00 0.00 N ATOM 1313 CA HIS A 84 8.061 9.374 -8.105 1.00 0.00 C ATOM 1314 C HIS A 84 7.442 10.171 -9.275 1.00 0.00 C ATOM 1315 O HIS A 84 7.086 11.341 -9.129 1.00 0.00 O ATOM 1316 CB HIS A 84 9.008 10.223 -7.234 1.00 0.00 C ATOM 1317 CG HIS A 84 9.369 9.597 -5.904 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.241 8.553 -5.675 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.893 9.991 -4.680 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.278 8.320 -4.353 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.473 9.178 -3.697 1.00 0.00 N ATOM 0 H HIS A 84 9.436 8.465 -9.375 1.00 0.00 H new ATOM 0 HA HIS A 84 7.233 9.054 -7.472 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.925 10.411 -7.793 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.542 11.191 -7.051 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.767 8.046 -6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.190 10.792 -4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.871 7.551 -3.881 1.00 0.00 H new ATOM 1329 N ARG A 85 7.333 9.541 -10.451 1.00 0.00 N ATOM 1330 CA ARG A 85 6.760 10.078 -11.681 1.00 0.00 C ATOM 1331 C ARG A 85 6.151 8.918 -12.468 1.00 0.00 C ATOM 1332 O ARG A 85 6.363 7.756 -12.105 1.00 0.00 O ATOM 1333 CB ARG A 85 7.849 10.801 -12.506 1.00 0.00 C ATOM 1334 CG ARG A 85 9.072 9.921 -12.849 1.00 0.00 C ATOM 1335 CD ARG A 85 9.940 10.546 -13.947 1.00 0.00 C ATOM 1336 NE ARG A 85 9.229 10.528 -15.235 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.258 11.455 -16.195 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.147 12.446 -16.171 1.00 0.00 N ATOM 1339 NH2 ARG A 85 8.367 11.371 -17.174 1.00 0.00 N ATOM 0 H ARG A 85 7.664 8.584 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 85 5.985 10.809 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.405 11.164 -13.433 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.189 11.675 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.674 9.771 -11.953 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.731 8.937 -13.172 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.194 11.571 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.878 9.998 -14.034 1.00 0.00 H new ATOM 0 HE ARG A 85 8.645 9.711 -15.416 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.823 12.507 -15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.152 13.144 -16.914 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.685 10.613 -17.179 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.364 12.065 -17.922 1.00 0.00 H new ATOM 1353 N PHE A 86 5.456 9.212 -13.563 1.00 0.00 N ATOM 1354 CA PHE A 86 5.145 8.215 -14.576 1.00 0.00 C ATOM 1355 C PHE A 86 6.157 8.345 -15.716 1.00 0.00 C ATOM 1356 O PHE A 86 6.636 9.448 -15.998 1.00 0.00 O ATOM 1357 CB PHE A 86 3.694 8.361 -15.058 1.00 0.00 C ATOM 1358 CG PHE A 86 3.266 9.744 -15.522 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.687 10.243 -16.772 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.395 10.512 -14.725 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.270 11.514 -17.204 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.987 11.788 -15.155 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.426 12.291 -16.392 1.00 0.00 C ATOM 0 H PHE A 86 5.095 10.143 -13.770 1.00 0.00 H new ATOM 0 HA PHE A 86 5.226 7.212 -14.156 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.536 7.662 -15.880 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.033 8.054 -14.247 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.332 9.646 -17.400 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.040 10.121 -13.783 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.598 11.894 -18.160 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.335 12.383 -14.533 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.115 13.273 -16.718 1.00 0.00 H new ATOM 1373 N SER A 87 6.456 7.243 -16.396 1.00 0.00 N ATOM 1374 CA SER A 87 7.442 7.188 -17.472 1.00 0.00 C ATOM 1375 C SER A 87 6.926 6.306 -18.612 1.00 0.00 C ATOM 1376 O SER A 87 6.052 5.459 -18.406 1.00 0.00 O ATOM 1377 CB SER A 87 8.770 6.677 -16.895 1.00 0.00 C ATOM 1378 OG SER A 87 9.201 7.513 -15.830 1.00 0.00 O ATOM 0 H SER A 87 6.011 6.344 -16.211 1.00 0.00 H new ATOM 0 HA SER A 87 7.610 8.180 -17.891 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.649 5.655 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.529 6.653 -17.677 1.00 0.00 H new ATOM 0 HG SER A 87 10.048 7.175 -15.471 1.00 0.00 H new ATOM 1384 N ILE A 88 7.428 6.519 -19.829 1.00 0.00 N ATOM 1385 CA ILE A 88 6.890 5.935 -21.055 1.00 0.00 C ATOM 1386 C ILE A 88 8.101 5.495 -21.886 1.00 0.00 C ATOM 1387 O ILE A 88 9.069 6.251 -22.004 1.00 0.00 O ATOM 1388 CB ILE A 88 5.997 6.973 -21.795 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.906 7.572 -20.868 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.338 6.333 -23.029 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.886 8.505 -21.536 1.00 0.00 C ATOM 0 H ILE A 88 8.239 7.116 -19.992 1.00 0.00 H new ATOM 0 HA ILE A 88 6.247 5.077 -20.859 1.00 0.00 H new ATOM 0 HB ILE A 88 6.649 7.787 -22.111 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.364 6.750 -20.401 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.401 8.122 -20.068 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.717 7.073 -23.535 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.111 5.980 -23.712 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.719 5.492 -22.716 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.175 8.861 -20.790 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.405 9.356 -21.977 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.352 7.962 -22.316 1.00 0.00 H new ATOM 1403 N VAL A 89 8.057 4.284 -22.450 1.00 0.00 N ATOM 1404 CA VAL A 89 9.185 3.656 -23.134 1.00 0.00 C ATOM 1405 C VAL A 89 8.671 3.008 -24.425 1.00 0.00 C ATOM 1406 O VAL A 89 7.619 2.364 -24.435 1.00 0.00 O ATOM 1407 CB VAL A 89 9.858 2.615 -22.204 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.204 2.147 -22.781 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.107 3.126 -20.771 1.00 0.00 C ATOM 0 H VAL A 89 7.218 3.704 -22.442 1.00 0.00 H new ATOM 0 HA VAL A 89 9.939 4.401 -23.388 1.00 0.00 H new ATOM 0 HB VAL A 89 9.147 1.791 -22.150 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.654 1.417 -22.108 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.042 1.689 -23.757 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.871 3.002 -22.887 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.580 2.341 -20.182 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.760 3.998 -20.804 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.157 3.401 -20.313 1.00 0.00 H new