USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 743 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 57 ASN : amide:sc= 0.615 X(o=1.2,f=0.91) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0.554 USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.119 K(o=0.43,f=-1) USER MOD Set 3.2: A 6 HIS : no HE2:sc= 0.31 K(o=0.43,f=-5.2!) USER MOD Set 4.1: A 3 HIS : no HE2:sc= 0.985 K(o=0.8,f=-3.1!) USER MOD Set 4.2: A 7 HIS : no HE2:sc= -0.188 X(o=0.8,f=0.93) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0184 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.875 K(o=0.88,f=-2.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.03) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 90:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 1.48 K(o=1.5,f=-4.7!) USER MOD Single : A 51 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.37) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.57 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.0928 K(o=0.093,f=-6.9!) USER MOD Single : A 81 ASN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 124:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.147 -20.095 18.265 1.00 0.00 N ATOM 2 CA MET A 1 -28.197 -19.804 16.811 1.00 0.00 C ATOM 3 C MET A 1 -26.852 -20.163 16.174 1.00 0.00 C ATOM 4 O MET A 1 -25.797 -19.868 16.743 1.00 0.00 O ATOM 5 CB MET A 1 -28.562 -18.326 16.547 1.00 0.00 C ATOM 6 CG MET A 1 -28.914 -18.056 15.074 1.00 0.00 C ATOM 7 SD MET A 1 -29.116 -16.304 14.634 1.00 0.00 S ATOM 8 CE MET A 1 -30.652 -15.904 15.515 1.00 0.00 C ATOM 0 H1 MET A 1 -28.576 -19.307 18.792 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.673 -20.970 18.462 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.157 -20.212 18.562 1.00 0.00 H new ATOM 0 HA MET A 1 -28.979 -20.412 16.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.408 -18.047 17.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.725 -17.692 16.839 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.132 -18.484 14.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.838 -18.583 14.836 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.909 -14.859 15.342 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.458 -16.541 15.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.513 -16.072 16.583 1.00 0.00 H new ATOM 20 N GLY A 2 -26.857 -20.784 14.993 1.00 0.00 N ATOM 21 CA GLY A 2 -25.636 -21.137 14.284 1.00 0.00 C ATOM 22 C GLY A 2 -25.920 -21.555 12.849 1.00 0.00 C ATOM 23 O GLY A 2 -27.073 -21.802 12.482 1.00 0.00 O ATOM 0 H GLY A 2 -27.711 -21.054 14.505 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -24.954 -20.286 14.287 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -25.133 -21.950 14.807 1.00 0.00 H new ATOM 27 N HIS A 3 -24.856 -21.658 12.057 1.00 0.00 N ATOM 28 CA HIS A 3 -24.816 -22.170 10.692 1.00 0.00 C ATOM 29 C HIS A 3 -23.514 -22.970 10.640 1.00 0.00 C ATOM 30 O HIS A 3 -22.437 -22.388 10.784 1.00 0.00 O ATOM 31 CB HIS A 3 -24.788 -21.028 9.653 1.00 0.00 C ATOM 32 CG HIS A 3 -26.088 -20.299 9.389 1.00 0.00 C ATOM 33 ND1 HIS A 3 -27.290 -20.446 10.047 1.00 0.00 N ATOM 34 CD2 HIS A 3 -26.288 -19.357 8.414 1.00 0.00 C ATOM 35 CE1 HIS A 3 -28.184 -19.613 9.492 1.00 0.00 C ATOM 36 NE2 HIS A 3 -27.620 -18.924 8.481 1.00 0.00 N ATOM 0 H HIS A 3 -23.933 -21.364 12.377 1.00 0.00 H new ATOM 0 HA HIS A 3 -25.698 -22.764 10.452 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -24.050 -20.295 9.977 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.434 -21.440 8.708 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -27.470 -21.081 10.825 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -25.545 -19.007 7.712 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -29.211 -19.510 9.811 1.00 0.00 H new ATOM 44 N HIS A 4 -23.617 -24.298 10.508 1.00 0.00 N ATOM 45 CA HIS A 4 -22.548 -25.299 10.640 1.00 0.00 C ATOM 46 C HIS A 4 -21.978 -25.397 12.068 1.00 0.00 C ATOM 47 O HIS A 4 -21.715 -26.505 12.543 1.00 0.00 O ATOM 48 CB HIS A 4 -21.456 -25.099 9.573 1.00 0.00 C ATOM 49 CG HIS A 4 -20.476 -26.243 9.496 1.00 0.00 C ATOM 50 ND1 HIS A 4 -20.663 -27.441 8.838 1.00 0.00 N ATOM 51 CD2 HIS A 4 -19.230 -26.288 10.067 1.00 0.00 C ATOM 52 CE1 HIS A 4 -19.559 -28.188 9.010 1.00 0.00 C ATOM 53 NE2 HIS A 4 -18.651 -27.527 9.755 1.00 0.00 N ATOM 0 H HIS A 4 -24.513 -24.734 10.291 1.00 0.00 H new ATOM 0 HA HIS A 4 -23.006 -26.270 10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -21.929 -24.970 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -20.913 -24.179 9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.774 -25.505 10.655 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -19.419 -29.180 8.607 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -17.729 -27.860 10.035 1.00 0.00 H new ATOM 61 N HIS A 5 -21.845 -24.278 12.783 1.00 0.00 N ATOM 62 CA HIS A 5 -21.526 -24.191 14.202 1.00 0.00 C ATOM 63 C HIS A 5 -22.203 -22.929 14.759 1.00 0.00 C ATOM 64 O HIS A 5 -22.708 -22.103 13.994 1.00 0.00 O ATOM 65 CB HIS A 5 -19.999 -24.155 14.401 1.00 0.00 C ATOM 66 CG HIS A 5 -19.579 -24.414 15.829 1.00 0.00 C ATOM 67 ND1 HIS A 5 -19.543 -25.643 16.452 1.00 0.00 N ATOM 68 CD2 HIS A 5 -19.214 -23.481 16.763 1.00 0.00 C ATOM 69 CE1 HIS A 5 -19.161 -25.457 17.725 1.00 0.00 C ATOM 70 NE2 HIS A 5 -18.973 -24.146 17.973 1.00 0.00 N ATOM 0 H HIS A 5 -21.965 -23.358 12.359 1.00 0.00 H new ATOM 0 HA HIS A 5 -21.895 -25.065 14.739 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -19.537 -24.899 13.752 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.621 -23.181 14.089 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -19.127 -22.418 16.596 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.024 -26.247 18.449 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.708 -23.723 18.862 1.00 0.00 H new ATOM 78 N HIS A 6 -22.218 -22.784 16.086 1.00 0.00 N ATOM 79 CA HIS A 6 -22.757 -21.626 16.793 1.00 0.00 C ATOM 80 C HIS A 6 -22.150 -20.327 16.249 1.00 0.00 C ATOM 81 O HIS A 6 -20.941 -20.265 15.999 1.00 0.00 O ATOM 82 CB HIS A 6 -22.451 -21.748 18.295 1.00 0.00 C ATOM 83 CG HIS A 6 -22.753 -23.104 18.887 1.00 0.00 C ATOM 84 ND1 HIS A 6 -21.837 -24.104 19.129 1.00 0.00 N ATOM 85 CD2 HIS A 6 -23.981 -23.580 19.260 1.00 0.00 C ATOM 86 CE1 HIS A 6 -22.497 -25.158 19.639 1.00 0.00 C ATOM 87 NE2 HIS A 6 -23.814 -24.887 19.739 1.00 0.00 N ATOM 0 H HIS A 6 -21.843 -23.493 16.716 1.00 0.00 H new ATOM 0 HA HIS A 6 -23.836 -21.597 16.639 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -21.397 -21.521 18.458 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.026 -20.994 18.833 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -20.834 -24.053 18.952 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.916 -23.042 19.196 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.037 -26.091 19.928 1.00 0.00 H new ATOM 95 N HIS A 7 -22.971 -19.285 16.099 1.00 0.00 N ATOM 96 CA HIS A 7 -22.479 -17.945 15.797 1.00 0.00 C ATOM 97 C HIS A 7 -21.726 -17.394 17.016 1.00 0.00 C ATOM 98 O HIS A 7 -22.036 -17.746 18.159 1.00 0.00 O ATOM 99 CB HIS A 7 -23.646 -17.024 15.406 1.00 0.00 C ATOM 100 CG HIS A 7 -24.378 -17.426 14.143 1.00 0.00 C ATOM 101 ND1 HIS A 7 -25.691 -17.135 13.841 1.00 0.00 N ATOM 102 CD2 HIS A 7 -23.862 -18.098 13.064 1.00 0.00 C ATOM 103 CE1 HIS A 7 -25.961 -17.629 12.622 1.00 0.00 C ATOM 104 NE2 HIS A 7 -24.874 -18.230 12.105 1.00 0.00 N ATOM 0 H HIS A 7 -23.986 -19.348 16.183 1.00 0.00 H new ATOM 0 HA HIS A 7 -21.793 -17.990 14.951 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -24.360 -16.996 16.229 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -23.264 -16.011 15.281 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -26.345 -16.631 14.440 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -22.850 -18.462 12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -26.917 -17.554 12.126 1.00 0.00 H new ATOM 112 N HIS A 8 -20.753 -16.515 16.773 1.00 0.00 N ATOM 113 CA HIS A 8 -19.940 -15.861 17.794 1.00 0.00 C ATOM 114 C HIS A 8 -19.409 -14.543 17.214 1.00 0.00 C ATOM 115 O HIS A 8 -19.376 -14.368 15.991 1.00 0.00 O ATOM 116 CB HIS A 8 -18.784 -16.798 18.196 1.00 0.00 C ATOM 117 CG HIS A 8 -18.052 -16.377 19.448 1.00 0.00 C ATOM 118 ND1 HIS A 8 -16.966 -15.533 19.521 1.00 0.00 N ATOM 119 CD2 HIS A 8 -18.337 -16.775 20.729 1.00 0.00 C ATOM 120 CE1 HIS A 8 -16.610 -15.417 20.811 1.00 0.00 C ATOM 121 NE2 HIS A 8 -17.418 -16.159 21.592 1.00 0.00 N ATOM 0 H HIS A 8 -20.502 -16.230 15.826 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.529 -15.646 18.686 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -19.180 -17.803 18.341 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -18.072 -16.851 17.373 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -16.511 -15.075 18.732 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.131 -17.446 21.023 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.790 -14.813 21.171 1.00 0.00 H new ATOM 129 N LEU A 9 -18.979 -13.624 18.083 1.00 0.00 N ATOM 130 CA LEU A 9 -18.256 -12.414 17.693 1.00 0.00 C ATOM 131 C LEU A 9 -16.947 -12.806 16.996 1.00 0.00 C ATOM 132 O LEU A 9 -16.326 -13.808 17.361 1.00 0.00 O ATOM 133 CB LEU A 9 -17.989 -11.566 18.952 1.00 0.00 C ATOM 134 CG LEU A 9 -17.257 -10.230 18.703 1.00 0.00 C ATOM 135 CD1 LEU A 9 -18.054 -9.283 17.795 1.00 0.00 C ATOM 136 CD2 LEU A 9 -17.001 -9.531 20.043 1.00 0.00 C ATOM 0 H LEU A 9 -19.126 -13.702 19.089 1.00 0.00 H new ATOM 0 HA LEU A 9 -18.847 -11.822 16.994 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.942 -11.355 19.437 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.400 -12.159 19.652 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.319 -10.465 18.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.494 -8.359 17.652 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.220 -9.759 16.829 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -19.015 -9.058 18.258 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.484 -8.587 19.868 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.952 -9.337 20.540 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.385 -10.171 20.675 1.00 0.00 H new ATOM 148 N ASP A 10 -16.499 -11.999 16.036 1.00 0.00 N ATOM 149 CA ASP A 10 -15.254 -12.187 15.297 1.00 0.00 C ATOM 150 C ASP A 10 -14.572 -10.826 15.120 1.00 0.00 C ATOM 151 O ASP A 10 -15.234 -9.785 15.179 1.00 0.00 O ATOM 152 CB ASP A 10 -15.578 -12.819 13.940 1.00 0.00 C ATOM 153 CG ASP A 10 -14.327 -13.030 13.069 1.00 0.00 C ATOM 154 OD1 ASP A 10 -13.280 -13.470 13.596 1.00 0.00 O ATOM 155 OD2 ASP A 10 -14.396 -12.786 11.843 1.00 0.00 O ATOM 0 H ASP A 10 -17.011 -11.168 15.742 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.577 -12.848 15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.071 -13.778 14.099 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.284 -12.182 13.407 1.00 0.00 H new ATOM 160 N SER A 11 -13.252 -10.834 14.941 1.00 0.00 N ATOM 161 CA SER A 11 -12.413 -9.644 14.860 1.00 0.00 C ATOM 162 C SER A 11 -12.767 -8.767 13.649 1.00 0.00 C ATOM 163 O SER A 11 -13.283 -9.252 12.635 1.00 0.00 O ATOM 164 CB SER A 11 -10.943 -10.083 14.789 1.00 0.00 C ATOM 165 OG SER A 11 -10.645 -11.030 15.808 1.00 0.00 O ATOM 0 H SER A 11 -12.721 -11.700 14.845 1.00 0.00 H new ATOM 0 HA SER A 11 -12.586 -9.038 15.749 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.736 -10.518 13.811 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.294 -9.213 14.894 1.00 0.00 H new ATOM 0 HG SER A 11 -9.704 -11.296 15.742 1.00 0.00 H new ATOM 171 N TYR A 12 -12.451 -7.473 13.748 1.00 0.00 N ATOM 172 CA TYR A 12 -12.510 -6.533 12.631 1.00 0.00 C ATOM 173 C TYR A 12 -11.435 -6.887 11.589 1.00 0.00 C ATOM 174 O TYR A 12 -10.503 -7.648 11.873 1.00 0.00 O ATOM 175 CB TYR A 12 -12.342 -5.095 13.157 1.00 0.00 C ATOM 176 CG TYR A 12 -11.045 -4.836 13.909 1.00 0.00 C ATOM 177 CD1 TYR A 12 -9.886 -4.452 13.208 1.00 0.00 C ATOM 178 CD2 TYR A 12 -10.993 -4.990 15.309 1.00 0.00 C ATOM 179 CE1 TYR A 12 -8.675 -4.250 13.891 1.00 0.00 C ATOM 180 CE2 TYR A 12 -9.784 -4.790 16.001 1.00 0.00 C ATOM 181 CZ TYR A 12 -8.616 -4.423 15.293 1.00 0.00 C ATOM 182 OH TYR A 12 -7.435 -4.236 15.947 1.00 0.00 O ATOM 0 H TYR A 12 -12.143 -7.045 14.621 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.481 -6.602 12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.400 -4.406 12.314 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.179 -4.864 13.816 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -9.928 -4.312 12.138 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.885 -5.263 15.853 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.789 -3.962 13.345 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.748 -4.917 17.073 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.564 -4.392 16.906 1.00 0.00 H new ATOM 192 N ALA A 13 -11.541 -6.301 10.393 1.00 0.00 N ATOM 193 CA ALA A 13 -10.544 -6.423 9.331 1.00 0.00 C ATOM 194 C ALA A 13 -9.704 -5.137 9.281 1.00 0.00 C ATOM 195 O ALA A 13 -10.246 -4.070 9.598 1.00 0.00 O ATOM 196 CB ALA A 13 -11.253 -6.656 7.991 1.00 0.00 C ATOM 0 H ALA A 13 -12.337 -5.719 10.133 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.886 -7.269 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.511 -6.747 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.841 -7.572 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.912 -5.814 7.777 1.00 0.00 H new ATOM 202 N PRO A 14 -8.422 -5.200 8.865 1.00 0.00 N ATOM 203 CA PRO A 14 -7.579 -4.022 8.674 1.00 0.00 C ATOM 204 C PRO A 14 -8.291 -2.963 7.834 1.00 0.00 C ATOM 205 O PRO A 14 -8.923 -3.296 6.824 1.00 0.00 O ATOM 206 CB PRO A 14 -6.305 -4.520 7.985 1.00 0.00 C ATOM 207 CG PRO A 14 -6.219 -5.980 8.423 1.00 0.00 C ATOM 208 CD PRO A 14 -7.682 -6.406 8.521 1.00 0.00 C ATOM 0 HA PRO A 14 -7.348 -3.542 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.371 -4.428 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.429 -3.953 8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.672 -6.585 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.705 -6.083 9.379 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.032 -6.824 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.815 -7.177 9.280 1.00 0.00 H new ATOM 216 N ARG A 15 -8.222 -1.699 8.252 1.00 0.00 N ATOM 217 CA ARG A 15 -8.920 -0.627 7.552 1.00 0.00 C ATOM 218 C ARG A 15 -8.234 -0.399 6.206 1.00 0.00 C ATOM 219 O ARG A 15 -7.010 -0.482 6.109 1.00 0.00 O ATOM 220 CB ARG A 15 -8.989 0.655 8.400 1.00 0.00 C ATOM 221 CG ARG A 15 -9.508 0.486 9.845 1.00 0.00 C ATOM 222 CD ARG A 15 -10.666 -0.504 10.051 1.00 0.00 C ATOM 223 NE ARG A 15 -11.837 -0.197 9.208 1.00 0.00 N ATOM 224 CZ ARG A 15 -12.569 -1.077 8.510 1.00 0.00 C ATOM 225 NH1 ARG A 15 -12.263 -2.374 8.486 1.00 0.00 N ATOM 226 NH2 ARG A 15 -13.618 -0.645 7.818 1.00 0.00 N ATOM 0 H ARG A 15 -7.691 -1.396 9.069 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.956 -0.917 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.992 1.092 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.630 1.372 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.674 0.169 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.827 1.463 10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.319 -1.513 9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.965 -0.493 11.099 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.118 0.782 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.456 -2.717 9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.836 -3.023 7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.858 0.346 7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.183 -1.305 7.283 1.00 0.00 H new ATOM 240 N ALA A 16 -9.028 -0.128 5.174 1.00 0.00 N ATOM 241 CA ALA A 16 -8.615 -0.040 3.781 1.00 0.00 C ATOM 242 C ALA A 16 -9.661 0.792 3.034 1.00 0.00 C ATOM 243 O ALA A 16 -10.715 1.106 3.597 1.00 0.00 O ATOM 244 CB ALA A 16 -8.544 -1.465 3.208 1.00 0.00 C ATOM 0 H ALA A 16 -10.026 0.044 5.295 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.637 0.431 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.236 -1.422 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.821 -2.050 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.525 -1.935 3.278 1.00 0.00 H new ATOM 250 N GLU A 17 -9.407 1.114 1.764 1.00 0.00 N ATOM 251 CA GLU A 17 -10.381 1.798 0.904 1.00 0.00 C ATOM 252 C GLU A 17 -10.415 1.254 -0.530 1.00 0.00 C ATOM 253 O GLU A 17 -11.228 1.718 -1.335 1.00 0.00 O ATOM 254 CB GLU A 17 -10.170 3.321 0.941 1.00 0.00 C ATOM 255 CG GLU A 17 -8.823 3.793 0.371 1.00 0.00 C ATOM 256 CD GLU A 17 -8.740 5.326 0.361 1.00 0.00 C ATOM 257 OE1 GLU A 17 -8.768 5.932 1.457 1.00 0.00 O ATOM 258 OE2 GLU A 17 -8.649 5.923 -0.736 1.00 0.00 O ATOM 0 H GLU A 17 -8.522 0.909 1.301 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.367 1.583 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.974 3.800 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.252 3.661 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.008 3.384 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.698 3.411 -0.642 1.00 0.00 H new ATOM 265 N ALA A 18 -9.585 0.258 -0.858 1.00 0.00 N ATOM 266 CA ALA A 18 -9.643 -0.456 -2.123 1.00 0.00 C ATOM 267 C ALA A 18 -9.195 -1.895 -1.885 1.00 0.00 C ATOM 268 O ALA A 18 -8.328 -2.147 -1.048 1.00 0.00 O ATOM 269 CB ALA A 18 -8.727 0.226 -3.146 1.00 0.00 C ATOM 0 H ALA A 18 -8.846 -0.074 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.660 -0.448 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.774 -0.313 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.053 1.255 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.702 0.221 -2.776 1.00 0.00 H new ATOM 275 N GLU A 19 -9.757 -2.832 -2.641 1.00 0.00 N ATOM 276 CA GLU A 19 -9.321 -4.219 -2.682 1.00 0.00 C ATOM 277 C GLU A 19 -9.748 -4.803 -4.028 1.00 0.00 C ATOM 278 O GLU A 19 -10.817 -4.456 -4.540 1.00 0.00 O ATOM 279 CB GLU A 19 -9.873 -5.018 -1.485 1.00 0.00 C ATOM 280 CG GLU A 19 -11.398 -4.962 -1.291 1.00 0.00 C ATOM 281 CD GLU A 19 -11.832 -5.764 -0.052 1.00 0.00 C ATOM 282 OE1 GLU A 19 -11.595 -5.301 1.088 1.00 0.00 O ATOM 283 OE2 GLU A 19 -12.415 -6.861 -0.207 1.00 0.00 O ATOM 0 H GLU A 19 -10.548 -2.641 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.236 -4.280 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.578 -6.061 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.396 -4.651 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.716 -3.925 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.895 -5.359 -2.176 1.00 0.00 H new ATOM 290 N LYS A 20 -8.898 -5.641 -4.632 1.00 0.00 N ATOM 291 CA LYS A 20 -9.111 -6.197 -5.971 1.00 0.00 C ATOM 292 C LYS A 20 -8.124 -7.336 -6.217 1.00 0.00 C ATOM 293 O LYS A 20 -7.229 -7.567 -5.400 1.00 0.00 O ATOM 294 CB LYS A 20 -8.911 -5.090 -7.037 1.00 0.00 C ATOM 295 CG LYS A 20 -10.045 -5.076 -8.070 1.00 0.00 C ATOM 296 CD LYS A 20 -9.807 -3.971 -9.112 1.00 0.00 C ATOM 297 CE LYS A 20 -10.960 -3.843 -10.116 1.00 0.00 C ATOM 298 NZ LYS A 20 -12.221 -3.387 -9.480 1.00 0.00 N ATOM 0 H LYS A 20 -8.031 -5.956 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.128 -6.581 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.856 -4.119 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.959 -5.244 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.106 -6.045 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.000 -4.913 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.670 -3.019 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.883 -4.179 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.678 -3.140 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.127 -4.807 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.861 -3.011 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.677 -4.188 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.010 -2.641 -8.787 1.00 0.00 H new ATOM 312 N THR A 21 -8.270 -8.027 -7.346 1.00 0.00 N ATOM 313 CA THR A 21 -7.276 -8.981 -7.821 1.00 0.00 C ATOM 314 C THR A 21 -6.325 -8.195 -8.734 1.00 0.00 C ATOM 315 O THR A 21 -6.765 -7.315 -9.481 1.00 0.00 O ATOM 316 CB THR A 21 -7.968 -10.151 -8.544 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.007 -10.683 -7.738 1.00 0.00 O ATOM 318 CG2 THR A 21 -6.994 -11.295 -8.852 1.00 0.00 C ATOM 0 H THR A 21 -9.083 -7.939 -7.956 1.00 0.00 H new ATOM 0 HA THR A 21 -6.710 -9.431 -7.005 1.00 0.00 H new ATOM 0 HB THR A 21 -8.361 -9.748 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.440 -11.425 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.526 -12.098 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.192 -10.927 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.571 -11.673 -7.921 1.00 0.00 H new ATOM 326 N PHE A 22 -5.030 -8.508 -8.680 1.00 0.00 N ATOM 327 CA PHE A 22 -3.974 -7.825 -9.411 1.00 0.00 C ATOM 328 C PHE A 22 -2.984 -8.857 -9.949 1.00 0.00 C ATOM 329 O PHE A 22 -2.942 -10.002 -9.485 1.00 0.00 O ATOM 330 CB PHE A 22 -3.253 -6.832 -8.484 1.00 0.00 C ATOM 331 CG PHE A 22 -4.109 -5.686 -7.978 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.216 -4.496 -8.725 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.792 -5.801 -6.753 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.991 -3.427 -8.242 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.560 -4.730 -6.266 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.661 -3.544 -7.012 1.00 0.00 C ATOM 0 H PHE A 22 -4.680 -9.273 -8.103 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.407 -7.272 -10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.861 -7.379 -7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.397 -6.418 -9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.702 -4.405 -9.670 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.726 -6.717 -6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.072 -2.516 -8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.072 -4.818 -5.319 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.254 -2.721 -6.640 1.00 0.00 H new ATOM 346 N SER A 23 -2.188 -8.413 -10.919 1.00 0.00 N ATOM 347 CA SER A 23 -1.115 -9.126 -11.594 1.00 0.00 C ATOM 348 C SER A 23 -0.117 -8.076 -12.107 1.00 0.00 C ATOM 349 O SER A 23 -0.345 -6.874 -11.928 1.00 0.00 O ATOM 350 CB SER A 23 -1.689 -10.028 -12.700 1.00 0.00 C ATOM 351 OG SER A 23 -2.613 -9.342 -13.530 1.00 0.00 O ATOM 0 H SER A 23 -2.289 -7.465 -11.281 1.00 0.00 H new ATOM 0 HA SER A 23 -0.586 -9.799 -10.919 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.873 -10.414 -13.311 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.181 -10.888 -12.245 1.00 0.00 H new ATOM 0 HG SER A 23 -2.950 -9.953 -14.218 1.00 0.00 H new ATOM 357 N TYR A 24 0.998 -8.506 -12.708 1.00 0.00 N ATOM 358 CA TYR A 24 2.104 -7.637 -13.110 1.00 0.00 C ATOM 359 C TYR A 24 2.561 -8.012 -14.530 1.00 0.00 C ATOM 360 O TYR A 24 2.335 -9.155 -14.940 1.00 0.00 O ATOM 361 CB TYR A 24 3.248 -7.787 -12.092 1.00 0.00 C ATOM 362 CG TYR A 24 2.837 -7.435 -10.675 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.698 -6.088 -10.294 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.519 -8.459 -9.763 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.219 -5.764 -9.014 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.025 -8.146 -8.485 1.00 0.00 C ATOM 367 CZ TYR A 24 1.862 -6.790 -8.110 1.00 0.00 C ATOM 368 OH TYR A 24 1.354 -6.451 -6.894 1.00 0.00 O ATOM 0 H TYR A 24 1.158 -9.488 -12.932 1.00 0.00 H new ATOM 0 HA TYR A 24 1.787 -6.594 -13.125 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.612 -8.814 -12.113 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.079 -7.148 -12.392 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.960 -5.302 -10.987 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.656 -9.492 -10.047 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.123 -4.729 -8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.771 -8.935 -7.793 1.00 0.00 H new ATOM 0 HH TYR A 24 0.378 -6.382 -6.955 1.00 0.00 H new ATOM 378 N PRO A 25 3.201 -7.101 -15.295 1.00 0.00 N ATOM 379 CA PRO A 25 3.525 -5.718 -14.935 1.00 0.00 C ATOM 380 C PRO A 25 2.294 -4.802 -14.850 1.00 0.00 C ATOM 381 O PRO A 25 2.343 -3.830 -14.101 1.00 0.00 O ATOM 382 CB PRO A 25 4.503 -5.237 -16.014 1.00 0.00 C ATOM 383 CG PRO A 25 4.129 -6.068 -17.239 1.00 0.00 C ATOM 384 CD PRO A 25 3.707 -7.404 -16.629 1.00 0.00 C ATOM 0 HA PRO A 25 3.955 -5.680 -13.934 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.394 -4.170 -16.206 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.539 -5.404 -15.718 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.319 -5.609 -17.807 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.971 -6.183 -17.921 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.940 -7.884 -17.236 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.551 -8.092 -16.578 1.00 0.00 H new ATOM 392 N LEU A 26 1.201 -5.154 -15.545 1.00 0.00 N ATOM 393 CA LEU A 26 -0.107 -4.487 -15.596 1.00 0.00 C ATOM 394 C LEU A 26 -0.002 -2.951 -15.574 1.00 0.00 C ATOM 395 O LEU A 26 0.111 -2.342 -16.638 1.00 0.00 O ATOM 396 CB LEU A 26 -1.034 -5.092 -14.518 1.00 0.00 C ATOM 397 CG LEU A 26 -2.552 -4.933 -14.756 1.00 0.00 C ATOM 398 CD1 LEU A 26 -3.307 -5.645 -13.625 1.00 0.00 C ATOM 399 CD2 LEU A 26 -3.058 -3.487 -14.827 1.00 0.00 C ATOM 0 H LEU A 26 1.212 -5.985 -16.137 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.571 -4.684 -16.562 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.810 -6.155 -14.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.788 -4.636 -13.559 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.739 -5.370 -15.737 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.381 -5.540 -13.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.043 -6.702 -13.621 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.035 -5.199 -12.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.135 -3.486 -14.997 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.838 -2.978 -13.889 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.561 -2.968 -15.647 1.00 0.00 H new ATOM 411 N ASP A 27 -0.040 -2.332 -14.391 1.00 0.00 N ATOM 412 CA ASP A 27 0.097 -0.888 -14.182 1.00 0.00 C ATOM 413 C ASP A 27 0.482 -0.602 -12.728 1.00 0.00 C ATOM 414 O ASP A 27 1.324 0.260 -12.472 1.00 0.00 O ATOM 415 CB ASP A 27 -1.222 -0.166 -14.494 1.00 0.00 C ATOM 416 CG ASP A 27 -1.112 1.339 -14.202 1.00 0.00 C ATOM 417 OD1 ASP A 27 -0.431 2.058 -14.969 1.00 0.00 O ATOM 418 OD2 ASP A 27 -1.741 1.811 -13.231 1.00 0.00 O ATOM 0 H ASP A 27 -0.172 -2.843 -13.518 1.00 0.00 H new ATOM 0 HA ASP A 27 0.875 -0.523 -14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.485 -0.318 -15.541 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.026 -0.597 -13.898 1.00 0.00 H new ATOM 423 N LEU A 28 -0.095 -1.358 -11.782 1.00 0.00 N ATOM 424 CA LEU A 28 0.292 -1.339 -10.374 1.00 0.00 C ATOM 425 C LEU A 28 1.780 -1.682 -10.247 1.00 0.00 C ATOM 426 O LEU A 28 2.212 -2.714 -10.764 1.00 0.00 O ATOM 427 CB LEU A 28 -0.562 -2.352 -9.587 1.00 0.00 C ATOM 428 CG LEU A 28 -0.125 -2.537 -8.116 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.298 -1.258 -7.285 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.917 -3.683 -7.482 1.00 0.00 C ATOM 0 H LEU A 28 -0.855 -2.008 -11.983 1.00 0.00 H new ATOM 0 HA LEU A 28 0.123 -0.344 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.602 -2.028 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.519 -3.317 -10.092 1.00 0.00 H new ATOM 0 HG LEU A 28 0.939 -2.775 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.024 -1.444 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.306 -0.460 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.347 -0.961 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.606 -3.810 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.982 -3.452 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.728 -4.604 -8.033 1.00 0.00 H new ATOM 442 N LEU A 29 2.535 -0.876 -9.500 1.00 0.00 N ATOM 443 CA LEU A 29 3.914 -1.142 -9.099 1.00 0.00 C ATOM 444 C LEU A 29 4.091 -0.627 -7.672 1.00 0.00 C ATOM 445 O LEU A 29 3.407 0.317 -7.264 1.00 0.00 O ATOM 446 CB LEU A 29 4.912 -0.437 -10.038 1.00 0.00 C ATOM 447 CG LEU A 29 5.002 -1.010 -11.468 1.00 0.00 C ATOM 448 CD1 LEU A 29 5.898 -0.112 -12.328 1.00 0.00 C ATOM 449 CD2 LEU A 29 5.570 -2.438 -11.488 1.00 0.00 C ATOM 0 H LEU A 29 2.188 0.015 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 29 4.112 -2.212 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.639 0.616 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.903 -0.481 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 29 3.988 -1.042 -11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.960 -0.519 -13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.476 0.892 -12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.896 -0.070 -11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.614 -2.798 -12.516 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.573 -2.437 -11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.927 -3.094 -10.901 1.00 0.00 H new ATOM 461 N LEU A 30 5.025 -1.217 -6.923 1.00 0.00 N ATOM 462 CA LEU A 30 5.273 -0.917 -5.512 1.00 0.00 C ATOM 463 C LEU A 30 6.727 -0.457 -5.350 1.00 0.00 C ATOM 464 O LEU A 30 7.593 -0.863 -6.129 1.00 0.00 O ATOM 465 CB LEU A 30 5.039 -2.165 -4.626 1.00 0.00 C ATOM 466 CG LEU A 30 3.593 -2.587 -4.286 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.829 -1.494 -3.531 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.773 -3.038 -5.500 1.00 0.00 C ATOM 0 H LEU A 30 5.647 -1.937 -7.292 1.00 0.00 H new ATOM 0 HA LEU A 30 4.582 -0.135 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.521 -3.011 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.563 -2.002 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 30 3.715 -3.453 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.818 -1.840 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.343 -1.270 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.782 -0.594 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.770 -3.318 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.709 -2.222 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.257 -3.896 -5.967 1.00 0.00 H new ATOM 480 N LYS A 31 7.009 0.333 -4.309 1.00 0.00 N ATOM 481 CA LYS A 31 8.367 0.693 -3.884 1.00 0.00 C ATOM 482 C LYS A 31 8.426 0.708 -2.362 1.00 0.00 C ATOM 483 O LYS A 31 7.397 0.923 -1.727 1.00 0.00 O ATOM 484 CB LYS A 31 8.806 2.036 -4.509 1.00 0.00 C ATOM 485 CG LYS A 31 7.986 3.294 -4.144 1.00 0.00 C ATOM 486 CD LYS A 31 8.408 3.976 -2.826 1.00 0.00 C ATOM 487 CE LYS A 31 7.679 5.310 -2.598 1.00 0.00 C ATOM 488 NZ LYS A 31 8.163 6.400 -3.486 1.00 0.00 N ATOM 0 H LYS A 31 6.284 0.750 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 31 9.076 -0.053 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.843 2.216 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.787 1.925 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.073 4.016 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.934 3.018 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.203 3.306 -1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.484 4.150 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.611 5.165 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.806 5.613 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.634 7.272 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.176 6.562 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.018 6.129 -4.479 1.00 0.00 H new ATOM 502 N LEU A 32 9.610 0.504 -1.783 1.00 0.00 N ATOM 503 CA LEU A 32 9.852 0.576 -0.341 1.00 0.00 C ATOM 504 C LEU A 32 10.296 1.999 0.003 1.00 0.00 C ATOM 505 O LEU A 32 11.194 2.530 -0.653 1.00 0.00 O ATOM 506 CB LEU A 32 10.946 -0.447 0.035 1.00 0.00 C ATOM 507 CG LEU A 32 11.545 -0.342 1.455 1.00 0.00 C ATOM 508 CD1 LEU A 32 10.506 -0.550 2.562 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.647 -1.395 1.611 1.00 0.00 C ATOM 0 H LEU A 32 10.449 0.278 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 32 8.948 0.339 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.530 -1.447 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.760 -0.353 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 32 11.938 0.669 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.989 -0.464 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.726 0.207 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.063 -1.541 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.075 -1.328 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.224 -2.389 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.426 -1.219 0.870 1.00 0.00 H new ATOM 521 N HIS A 33 9.706 2.597 1.039 1.00 0.00 N ATOM 522 CA HIS A 33 10.149 3.852 1.633 1.00 0.00 C ATOM 523 C HIS A 33 9.700 3.866 3.096 1.00 0.00 C ATOM 524 O HIS A 33 8.580 3.456 3.398 1.00 0.00 O ATOM 525 CB HIS A 33 9.555 5.046 0.868 1.00 0.00 C ATOM 526 CG HIS A 33 10.005 6.382 1.407 1.00 0.00 C ATOM 527 ND1 HIS A 33 9.314 7.181 2.293 1.00 0.00 N ATOM 528 CD2 HIS A 33 11.187 7.016 1.128 1.00 0.00 C ATOM 529 CE1 HIS A 33 10.063 8.269 2.541 1.00 0.00 C ATOM 530 NE2 HIS A 33 11.219 8.217 1.851 1.00 0.00 N ATOM 0 H HIS A 33 8.883 2.207 1.499 1.00 0.00 H new ATOM 0 HA HIS A 33 11.234 3.935 1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.836 4.972 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.467 4.992 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.960 6.654 0.466 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.778 9.074 3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.966 8.911 1.854 1.00 0.00 H new ATOM 538 N ASP A 34 10.561 4.358 3.994 1.00 0.00 N ATOM 539 CA ASP A 34 10.315 4.483 5.437 1.00 0.00 C ATOM 540 C ASP A 34 9.660 3.227 6.038 1.00 0.00 C ATOM 541 O ASP A 34 8.640 3.297 6.722 1.00 0.00 O ATOM 542 CB ASP A 34 9.562 5.789 5.745 1.00 0.00 C ATOM 543 CG ASP A 34 9.443 6.052 7.258 1.00 0.00 C ATOM 544 OD1 ASP A 34 10.458 5.946 7.984 1.00 0.00 O ATOM 545 OD2 ASP A 34 8.341 6.431 7.720 1.00 0.00 O ATOM 0 H ASP A 34 11.486 4.694 3.725 1.00 0.00 H new ATOM 0 HA ASP A 34 11.279 4.551 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.079 6.624 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.565 5.743 5.307 1.00 0.00 H new ATOM 550 N GLU A 35 10.244 2.059 5.735 1.00 0.00 N ATOM 551 CA GLU A 35 9.814 0.738 6.212 1.00 0.00 C ATOM 552 C GLU A 35 8.367 0.366 5.826 1.00 0.00 C ATOM 553 O GLU A 35 7.763 -0.513 6.447 1.00 0.00 O ATOM 554 CB GLU A 35 10.102 0.584 7.725 1.00 0.00 C ATOM 555 CG GLU A 35 11.600 0.606 8.077 1.00 0.00 C ATOM 556 CD GLU A 35 12.393 -0.548 7.440 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.830 -1.628 7.163 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.609 -0.401 7.190 1.00 0.00 O ATOM 0 H GLU A 35 11.061 2.007 5.127 1.00 0.00 H new ATOM 0 HA GLU A 35 10.418 0.002 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.600 1.387 8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.670 -0.354 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.028 1.554 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.712 0.560 9.160 1.00 0.00 H new ATOM 565 N ARG A 36 7.808 0.971 4.773 1.00 0.00 N ATOM 566 CA ARG A 36 6.508 0.600 4.214 1.00 0.00 C ATOM 567 C ARG A 36 6.656 0.406 2.715 1.00 0.00 C ATOM 568 O ARG A 36 7.558 0.986 2.110 1.00 0.00 O ATOM 569 CB ARG A 36 5.456 1.684 4.506 1.00 0.00 C ATOM 570 CG ARG A 36 5.244 1.938 6.007 1.00 0.00 C ATOM 571 CD ARG A 36 4.181 3.023 6.224 1.00 0.00 C ATOM 572 NE ARG A 36 4.255 3.603 7.579 1.00 0.00 N ATOM 573 CZ ARG A 36 5.137 4.534 7.978 1.00 0.00 C ATOM 574 NH1 ARG A 36 6.071 4.977 7.144 1.00 0.00 N ATOM 575 NH2 ARG A 36 5.085 5.020 9.213 1.00 0.00 N ATOM 0 H ARG A 36 8.254 1.744 4.279 1.00 0.00 H new ATOM 0 HA ARG A 36 6.171 -0.327 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.761 2.614 4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.507 1.390 4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.935 1.015 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.184 2.244 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.312 3.812 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.190 2.597 6.065 1.00 0.00 H new ATOM 0 HE ARG A 36 3.581 3.270 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.122 4.610 6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.738 5.684 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.373 4.686 9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.757 5.727 9.512 1.00 0.00 H new ATOM 589 N VAL A 37 5.766 -0.366 2.099 1.00 0.00 N ATOM 590 CA VAL A 37 5.683 -0.443 0.646 1.00 0.00 C ATOM 591 C VAL A 37 4.482 0.382 0.191 1.00 0.00 C ATOM 592 O VAL A 37 3.381 0.252 0.735 1.00 0.00 O ATOM 593 CB VAL A 37 5.660 -1.894 0.135 1.00 0.00 C ATOM 594 CG1 VAL A 37 7.080 -2.472 0.092 1.00 0.00 C ATOM 595 CG2 VAL A 37 4.779 -2.818 0.979 1.00 0.00 C ATOM 0 H VAL A 37 5.088 -0.950 2.588 1.00 0.00 H new ATOM 0 HA VAL A 37 6.584 -0.020 0.202 1.00 0.00 H new ATOM 0 HB VAL A 37 5.232 -1.850 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.044 -3.499 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.697 -1.872 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.509 -2.457 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.807 -3.826 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.149 -2.837 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.753 -2.450 0.970 1.00 0.00 H new ATOM 605 N LEU A 38 4.708 1.246 -0.798 1.00 0.00 N ATOM 606 CA LEU A 38 3.743 2.214 -1.293 1.00 0.00 C ATOM 607 C LEU A 38 3.536 1.968 -2.781 1.00 0.00 C ATOM 608 O LEU A 38 4.444 1.491 -3.463 1.00 0.00 O ATOM 609 CB LEU A 38 4.224 3.669 -1.108 1.00 0.00 C ATOM 610 CG LEU A 38 4.471 4.210 0.314 1.00 0.00 C ATOM 611 CD1 LEU A 38 3.330 3.902 1.287 1.00 0.00 C ATOM 612 CD2 LEU A 38 5.803 3.733 0.903 1.00 0.00 C ATOM 0 H LEU A 38 5.600 1.289 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 38 2.821 2.088 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.154 3.779 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.489 4.319 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 38 4.517 5.292 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.569 4.311 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.408 4.353 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.200 2.823 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.926 4.144 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.809 2.644 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.623 4.071 0.270 1.00 0.00 H new ATOM 624 N VAL A 39 2.360 2.343 -3.277 1.00 0.00 N ATOM 625 CA VAL A 39 2.008 2.399 -4.686 1.00 0.00 C ATOM 626 C VAL A 39 2.970 3.383 -5.358 1.00 0.00 C ATOM 627 O VAL A 39 2.833 4.598 -5.192 1.00 0.00 O ATOM 628 CB VAL A 39 0.522 2.804 -4.824 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.083 2.910 -6.291 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.413 1.791 -4.145 1.00 0.00 C ATOM 0 H VAL A 39 1.590 2.630 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 39 2.109 1.432 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 39 0.446 3.777 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.968 3.197 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.687 3.663 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.218 1.946 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.447 2.113 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.282 0.811 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.173 1.729 -3.083 1.00 0.00 H new ATOM 640 N ALA A 40 3.951 2.855 -6.094 1.00 0.00 N ATOM 641 CA ALA A 40 4.857 3.644 -6.918 1.00 0.00 C ATOM 642 C ALA A 40 4.115 4.170 -8.146 1.00 0.00 C ATOM 643 O ALA A 40 4.300 5.321 -8.541 1.00 0.00 O ATOM 644 CB ALA A 40 6.044 2.776 -7.353 1.00 0.00 C ATOM 0 H ALA A 40 4.137 1.853 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 40 5.227 4.491 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.721 3.368 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.575 2.418 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.681 1.924 -7.928 1.00 0.00 H new ATOM 650 N PHE A 41 3.252 3.328 -8.718 1.00 0.00 N ATOM 651 CA PHE A 41 2.374 3.636 -9.838 1.00 0.00 C ATOM 652 C PHE A 41 1.096 2.832 -9.617 1.00 0.00 C ATOM 653 O PHE A 41 1.165 1.676 -9.197 1.00 0.00 O ATOM 654 CB PHE A 41 3.030 3.242 -11.173 1.00 0.00 C ATOM 655 CG PHE A 41 4.260 4.052 -11.545 1.00 0.00 C ATOM 656 CD1 PHE A 41 4.116 5.273 -12.235 1.00 0.00 C ATOM 657 CD2 PHE A 41 5.549 3.595 -11.203 1.00 0.00 C ATOM 658 CE1 PHE A 41 5.253 6.028 -12.579 1.00 0.00 C ATOM 659 CE2 PHE A 41 6.683 4.351 -11.548 1.00 0.00 C ATOM 660 CZ PHE A 41 6.536 5.568 -12.237 1.00 0.00 C ATOM 0 H PHE A 41 3.145 2.367 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 41 2.168 4.705 -9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.307 2.189 -11.128 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.291 3.344 -11.968 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.132 5.630 -12.500 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.666 2.661 -10.674 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.139 6.963 -13.107 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.668 3.997 -11.284 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.407 6.148 -12.503 1.00 0.00 H new ATOM 670 N GLY A 42 -0.056 3.446 -9.867 1.00 0.00 N ATOM 671 CA GLY A 42 -1.369 2.834 -9.722 1.00 0.00 C ATOM 672 C GLY A 42 -2.415 3.942 -9.712 1.00 0.00 C ATOM 673 O GLY A 42 -2.145 5.036 -9.204 1.00 0.00 O ATOM 0 H GLY A 42 -0.101 4.414 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.558 2.141 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.419 2.256 -8.799 1.00 0.00 H new ATOM 677 N GLN A 43 -3.590 3.690 -10.289 1.00 0.00 N ATOM 678 CA GLN A 43 -4.634 4.688 -10.504 1.00 0.00 C ATOM 679 C GLN A 43 -6.015 4.020 -10.514 1.00 0.00 C ATOM 680 O GLN A 43 -6.135 2.842 -10.867 1.00 0.00 O ATOM 681 CB GLN A 43 -4.417 5.385 -11.866 1.00 0.00 C ATOM 682 CG GLN A 43 -3.281 6.419 -11.930 1.00 0.00 C ATOM 683 CD GLN A 43 -3.549 7.641 -11.052 1.00 0.00 C ATOM 684 OE1 GLN A 43 -4.218 8.588 -11.464 1.00 0.00 O ATOM 685 NE2 GLN A 43 -3.072 7.640 -9.820 1.00 0.00 N ATOM 0 H GLN A 43 -3.847 2.763 -10.628 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.585 5.417 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.224 4.618 -12.616 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -5.346 5.880 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.349 5.949 -11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.145 6.741 -12.963 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.519 6.850 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.257 8.429 -9.201 1.00 0.00 H new ATOM 694 N ARG A 44 -7.042 4.836 -10.239 1.00 0.00 N ATOM 695 CA ARG A 44 -8.479 4.532 -10.271 1.00 0.00 C ATOM 696 C ARG A 44 -8.897 3.448 -9.272 1.00 0.00 C ATOM 697 O ARG A 44 -8.071 2.778 -8.653 1.00 0.00 O ATOM 698 CB ARG A 44 -8.967 4.229 -11.708 1.00 0.00 C ATOM 699 CG ARG A 44 -8.635 5.268 -12.798 1.00 0.00 C ATOM 700 CD ARG A 44 -9.296 6.652 -12.636 1.00 0.00 C ATOM 701 NE ARG A 44 -8.682 7.481 -11.577 1.00 0.00 N ATOM 702 CZ ARG A 44 -7.482 8.073 -11.630 1.00 0.00 C ATOM 703 NH1 ARG A 44 -6.756 8.068 -12.744 1.00 0.00 N ATOM 704 NH2 ARG A 44 -6.976 8.656 -10.550 1.00 0.00 N ATOM 0 H ARG A 44 -6.875 5.805 -9.966 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.986 5.438 -9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.544 3.272 -12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.049 4.105 -11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.554 5.405 -12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.928 4.858 -13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.237 7.187 -13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.354 6.516 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.225 7.615 -10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.111 7.607 -13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.845 8.526 -12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.502 8.654 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.062 9.106 -10.594 1.00 0.00 H new ATOM 718 N ASP A 45 -10.214 3.311 -9.097 1.00 0.00 N ATOM 719 CA ASP A 45 -10.875 2.426 -8.130 1.00 0.00 C ATOM 720 C ASP A 45 -10.214 2.466 -6.741 1.00 0.00 C ATOM 721 O ASP A 45 -9.969 1.439 -6.108 1.00 0.00 O ATOM 722 CB ASP A 45 -11.028 1.013 -8.715 1.00 0.00 C ATOM 723 CG ASP A 45 -11.958 0.115 -7.877 1.00 0.00 C ATOM 724 OD1 ASP A 45 -12.912 0.619 -7.240 1.00 0.00 O ATOM 725 OD2 ASP A 45 -11.790 -1.124 -7.934 1.00 0.00 O ATOM 0 H ASP A 45 -10.884 3.841 -9.654 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.883 2.801 -7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.419 1.086 -9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.046 0.546 -8.785 1.00 0.00 H new ATOM 730 N GLY A 46 -9.866 3.678 -6.292 1.00 0.00 N ATOM 731 CA GLY A 46 -9.286 3.948 -4.980 1.00 0.00 C ATOM 732 C GLY A 46 -7.765 3.776 -4.925 1.00 0.00 C ATOM 733 O GLY A 46 -7.135 4.315 -4.013 1.00 0.00 O ATOM 0 H GLY A 46 -9.986 4.521 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.537 4.967 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.744 3.283 -4.248 1.00 0.00 H new ATOM 737 N ILE A 47 -7.154 3.070 -5.882 1.00 0.00 N ATOM 738 CA ILE A 47 -5.702 2.962 -5.983 1.00 0.00 C ATOM 739 C ILE A 47 -5.185 4.330 -6.433 1.00 0.00 C ATOM 740 O ILE A 47 -5.677 4.900 -7.410 1.00 0.00 O ATOM 741 CB ILE A 47 -5.291 1.830 -6.955 1.00 0.00 C ATOM 742 CG1 ILE A 47 -5.983 0.480 -6.650 1.00 0.00 C ATOM 743 CG2 ILE A 47 -3.761 1.647 -6.959 1.00 0.00 C ATOM 744 CD1 ILE A 47 -5.713 -0.084 -5.249 1.00 0.00 C ATOM 0 H ILE A 47 -7.656 2.558 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.261 2.696 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.628 2.142 -7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.059 0.604 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.659 -0.253 -7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.492 0.847 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.284 2.575 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.423 1.390 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.240 -1.031 -5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.643 -0.246 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.064 0.624 -4.498 1.00 0.00 H new ATOM 756 N ARG A 48 -4.190 4.861 -5.720 1.00 0.00 N ATOM 757 CA ARG A 48 -3.591 6.166 -5.971 1.00 0.00 C ATOM 758 C ARG A 48 -2.116 6.062 -5.603 1.00 0.00 C ATOM 759 O ARG A 48 -1.761 5.293 -4.707 1.00 0.00 O ATOM 760 CB ARG A 48 -4.293 7.239 -5.110 1.00 0.00 C ATOM 761 CG ARG A 48 -5.731 7.547 -5.564 1.00 0.00 C ATOM 762 CD ARG A 48 -6.384 8.664 -4.739 1.00 0.00 C ATOM 763 NE ARG A 48 -6.867 8.208 -3.418 1.00 0.00 N ATOM 764 CZ ARG A 48 -7.393 9.011 -2.483 1.00 0.00 C ATOM 765 NH1 ARG A 48 -7.397 10.333 -2.651 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.924 8.503 -1.378 1.00 0.00 N ATOM 0 H ARG A 48 -3.768 4.376 -4.928 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.701 6.455 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.312 6.906 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.707 8.157 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.722 7.835 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.334 6.643 -5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.664 9.470 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.221 9.080 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.795 7.213 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.998 10.741 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.799 10.937 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.934 7.493 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.322 9.122 -0.672 1.00 0.00 H new ATOM 780 N VAL A 49 -1.254 6.828 -6.268 1.00 0.00 N ATOM 781 CA VAL A 49 0.171 6.868 -5.951 1.00 0.00 C ATOM 782 C VAL A 49 0.327 7.316 -4.490 1.00 0.00 C ATOM 783 O VAL A 49 -0.421 8.172 -4.009 1.00 0.00 O ATOM 784 CB VAL A 49 0.906 7.778 -6.962 1.00 0.00 C ATOM 785 CG1 VAL A 49 2.411 7.885 -6.674 1.00 0.00 C ATOM 786 CG2 VAL A 49 0.735 7.241 -8.394 1.00 0.00 C ATOM 0 H VAL A 49 -1.523 7.437 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 49 0.631 5.884 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 49 0.458 8.766 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.878 8.536 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.562 8.301 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.863 6.894 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.259 7.894 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.150 6.235 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.325 7.213 -8.648 1.00 0.00 H new ATOM 796 N GLY A 50 1.284 6.719 -3.774 1.00 0.00 N ATOM 797 CA GLY A 50 1.598 7.079 -2.395 1.00 0.00 C ATOM 798 C GLY A 50 0.713 6.376 -1.362 1.00 0.00 C ATOM 799 O GLY A 50 1.015 6.457 -0.169 1.00 0.00 O ATOM 0 H GLY A 50 1.866 5.966 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.641 6.836 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.494 8.158 -2.277 1.00 0.00 H new ATOM 803 N HIS A 51 -0.361 5.692 -1.777 1.00 0.00 N ATOM 804 CA HIS A 51 -1.119 4.819 -0.880 1.00 0.00 C ATOM 805 C HIS A 51 -0.281 3.575 -0.584 1.00 0.00 C ATOM 806 O HIS A 51 0.752 3.355 -1.218 1.00 0.00 O ATOM 807 CB HIS A 51 -2.487 4.478 -1.488 1.00 0.00 C ATOM 808 CG HIS A 51 -3.482 5.590 -1.272 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.311 6.922 -1.582 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.669 5.483 -0.599 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.375 7.596 -1.114 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.235 6.760 -0.506 1.00 0.00 N ATOM 0 H HIS A 51 -0.723 5.728 -2.730 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.322 5.327 0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.375 4.291 -2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.865 3.558 -1.042 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.095 4.571 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.520 8.662 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.121 7.007 -0.066 1.00 0.00 H new ATOM 820 N ALA A 52 -0.713 2.746 0.362 1.00 0.00 N ATOM 821 CA ALA A 52 0.048 1.619 0.869 1.00 0.00 C ATOM 822 C ALA A 52 -0.770 0.344 0.728 1.00 0.00 C ATOM 823 O ALA A 52 -1.995 0.360 0.885 1.00 0.00 O ATOM 824 CB ALA A 52 0.374 1.867 2.344 1.00 0.00 C ATOM 0 H ALA A 52 -1.626 2.846 0.806 1.00 0.00 H new ATOM 0 HA ALA A 52 0.972 1.510 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.946 1.026 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.961 2.781 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.552 1.971 2.909 1.00 0.00 H new ATOM 830 N VAL A 53 -0.097 -0.762 0.418 1.00 0.00 N ATOM 831 CA VAL A 53 -0.733 -2.069 0.487 1.00 0.00 C ATOM 832 C VAL A 53 -0.936 -2.353 1.981 1.00 0.00 C ATOM 833 O VAL A 53 -0.086 -2.017 2.811 1.00 0.00 O ATOM 834 CB VAL A 53 0.072 -3.134 -0.294 1.00 0.00 C ATOM 835 CG1 VAL A 53 1.582 -3.102 -0.045 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.452 -4.552 -0.040 1.00 0.00 C ATOM 0 H VAL A 53 0.878 -0.777 0.120 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.703 -2.098 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.084 -2.864 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.064 -3.883 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.978 -2.130 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.780 -3.271 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.143 -5.267 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.378 -4.782 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.494 -4.616 -0.354 1.00 0.00 H new ATOM 846 N LEU A 54 -2.079 -2.949 2.315 1.00 0.00 N ATOM 847 CA LEU A 54 -2.533 -3.222 3.673 1.00 0.00 C ATOM 848 C LEU A 54 -2.649 -4.728 3.888 1.00 0.00 C ATOM 849 O LEU A 54 -2.348 -5.195 4.989 1.00 0.00 O ATOM 850 CB LEU A 54 -3.865 -2.489 3.944 1.00 0.00 C ATOM 851 CG LEU A 54 -3.746 -1.256 4.861 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.432 -1.675 6.301 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.710 -0.231 4.380 1.00 0.00 C ATOM 0 H LEU A 54 -2.744 -3.269 1.611 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.803 -2.844 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.293 -2.177 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.566 -3.192 4.393 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.718 -0.765 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.353 -0.788 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.231 -2.315 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.489 -2.221 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.681 0.609 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.727 -0.700 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.986 0.127 3.388 1.00 0.00 H new ATOM 865 N ALA A 55 -2.994 -5.509 2.855 1.00 0.00 N ATOM 866 CA ALA A 55 -2.899 -6.969 2.929 1.00 0.00 C ATOM 867 C ALA A 55 -2.730 -7.562 1.534 1.00 0.00 C ATOM 868 O ALA A 55 -3.132 -6.942 0.550 1.00 0.00 O ATOM 869 CB ALA A 55 -4.136 -7.573 3.611 1.00 0.00 C ATOM 0 H ALA A 55 -3.339 -5.154 1.963 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.024 -7.216 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.036 -8.658 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.222 -7.179 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.029 -7.312 3.043 1.00 0.00 H new ATOM 875 N ILE A 56 -2.201 -8.784 1.461 1.00 0.00 N ATOM 876 CA ILE A 56 -2.074 -9.569 0.231 1.00 0.00 C ATOM 877 C ILE A 56 -2.611 -10.965 0.544 1.00 0.00 C ATOM 878 O ILE A 56 -2.215 -11.563 1.538 1.00 0.00 O ATOM 879 CB ILE A 56 -0.606 -9.640 -0.254 1.00 0.00 C ATOM 880 CG1 ILE A 56 -0.009 -8.244 -0.531 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.544 -10.498 -1.535 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.518 -8.241 -0.621 1.00 0.00 C ATOM 0 H ILE A 56 -1.838 -9.270 2.281 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.638 -9.101 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.011 -10.090 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.421 -7.860 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.320 -7.561 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.487 -10.555 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.909 -11.502 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.165 -10.044 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.869 -7.228 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.939 -8.595 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.836 -8.898 -1.430 1.00 0.00 H new ATOM 894 N ASN A 57 -3.507 -11.476 -0.306 1.00 0.00 N ATOM 895 CA ASN A 57 -4.253 -12.740 -0.183 1.00 0.00 C ATOM 896 C ASN A 57 -4.760 -13.071 1.235 1.00 0.00 C ATOM 897 O ASN A 57 -4.973 -14.238 1.572 1.00 0.00 O ATOM 898 CB ASN A 57 -3.519 -13.899 -0.887 1.00 0.00 C ATOM 899 CG ASN A 57 -2.182 -14.310 -0.266 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.075 -14.657 0.906 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.129 -14.320 -1.069 1.00 0.00 N ATOM 0 H ASN A 57 -3.751 -10.982 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.186 -12.586 -0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.177 -14.768 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.345 -13.618 -1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.220 -14.618 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.227 -14.030 -2.042 1.00 0.00 H new ATOM 908 N GLY A 58 -5.004 -12.042 2.054 1.00 0.00 N ATOM 909 CA GLY A 58 -5.533 -12.154 3.411 1.00 0.00 C ATOM 910 C GLY A 58 -4.449 -12.012 4.484 1.00 0.00 C ATOM 911 O GLY A 58 -4.779 -11.759 5.645 1.00 0.00 O ATOM 0 H GLY A 58 -4.831 -11.076 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.292 -11.387 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.027 -13.119 3.525 1.00 0.00 H new ATOM 915 N MET A 59 -3.169 -12.138 4.122 1.00 0.00 N ATOM 916 CA MET A 59 -2.052 -11.850 5.007 1.00 0.00 C ATOM 917 C MET A 59 -1.880 -10.335 5.076 1.00 0.00 C ATOM 918 O MET A 59 -1.478 -9.697 4.100 1.00 0.00 O ATOM 919 CB MET A 59 -0.750 -12.506 4.515 1.00 0.00 C ATOM 920 CG MET A 59 -0.802 -14.038 4.502 1.00 0.00 C ATOM 921 SD MET A 59 -0.970 -14.807 6.138 1.00 0.00 S ATOM 922 CE MET A 59 -0.903 -16.553 5.655 1.00 0.00 C ATOM 0 H MET A 59 -2.883 -12.447 3.193 1.00 0.00 H new ATOM 0 HA MET A 59 -2.265 -12.261 5.994 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.531 -12.150 3.508 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.073 -12.184 5.153 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.639 -14.354 3.880 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.106 -14.415 4.030 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.992 -17.180 6.542 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.723 -16.773 4.971 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.047 -16.758 5.160 1.00 0.00 H new ATOM 932 N ASP A 60 -2.215 -9.759 6.226 1.00 0.00 N ATOM 933 CA ASP A 60 -1.923 -8.371 6.577 1.00 0.00 C ATOM 934 C ASP A 60 -0.430 -8.105 6.349 1.00 0.00 C ATOM 935 O ASP A 60 0.388 -8.988 6.631 1.00 0.00 O ATOM 936 CB ASP A 60 -2.295 -8.171 8.052 1.00 0.00 C ATOM 937 CG ASP A 60 -2.027 -6.746 8.542 1.00 0.00 C ATOM 938 OD1 ASP A 60 -0.858 -6.374 8.778 1.00 0.00 O ATOM 939 OD2 ASP A 60 -2.996 -5.985 8.737 1.00 0.00 O ATOM 0 H ASP A 60 -2.712 -10.259 6.963 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.494 -7.676 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.350 -8.406 8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.729 -8.873 8.664 1.00 0.00 H new ATOM 944 N VAL A 61 -0.057 -6.927 5.839 1.00 0.00 N ATOM 945 CA VAL A 61 1.350 -6.569 5.682 1.00 0.00 C ATOM 946 C VAL A 61 1.771 -5.578 6.777 1.00 0.00 C ATOM 947 O VAL A 61 1.277 -4.450 6.874 1.00 0.00 O ATOM 948 CB VAL A 61 1.696 -6.142 4.240 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.481 -7.309 3.261 1.00 0.00 C ATOM 950 CG2 VAL A 61 0.912 -4.945 3.702 1.00 0.00 C ATOM 0 H VAL A 61 -0.711 -6.208 5.529 1.00 0.00 H new ATOM 0 HA VAL A 61 1.961 -7.459 5.832 1.00 0.00 H new ATOM 0 HB VAL A 61 2.742 -5.841 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.731 -6.987 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.122 -8.144 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.438 -7.624 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.232 -4.729 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.153 -5.176 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.097 -4.075 4.333 1.00 0.00 H new ATOM 960 N ASN A 62 2.702 -6.025 7.617 1.00 0.00 N ATOM 961 CA ASN A 62 3.411 -5.224 8.599 1.00 0.00 C ATOM 962 C ASN A 62 4.477 -4.409 7.865 1.00 0.00 C ATOM 963 O ASN A 62 5.616 -4.861 7.709 1.00 0.00 O ATOM 964 CB ASN A 62 4.039 -6.136 9.666 1.00 0.00 C ATOM 965 CG ASN A 62 4.909 -5.355 10.651 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.682 -4.177 10.918 1.00 0.00 O ATOM 967 ND2 ASN A 62 5.917 -5.994 11.222 1.00 0.00 N ATOM 0 H ASN A 62 2.993 -7.003 7.628 1.00 0.00 H new ATOM 0 HA ASN A 62 2.728 -4.546 9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.249 -6.652 10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.642 -6.902 9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.515 -5.509 11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.096 -6.972 10.993 1.00 0.00 H new ATOM 974 N GLY A 63 4.091 -3.234 7.362 1.00 0.00 N ATOM 975 CA GLY A 63 4.974 -2.269 6.719 1.00 0.00 C ATOM 976 C GLY A 63 5.470 -2.764 5.364 1.00 0.00 C ATOM 977 O GLY A 63 4.934 -2.359 4.332 1.00 0.00 O ATOM 0 H GLY A 63 3.121 -2.921 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.446 -1.324 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.828 -2.070 7.367 1.00 0.00 H new ATOM 981 N ARG A 64 6.465 -3.654 5.362 1.00 0.00 N ATOM 982 CA ARG A 64 7.028 -4.279 4.164 1.00 0.00 C ATOM 983 C ARG A 64 7.249 -5.781 4.333 1.00 0.00 C ATOM 984 O ARG A 64 7.902 -6.382 3.482 1.00 0.00 O ATOM 985 CB ARG A 64 8.296 -3.536 3.691 1.00 0.00 C ATOM 986 CG ARG A 64 9.440 -3.451 4.720 1.00 0.00 C ATOM 987 CD ARG A 64 10.814 -3.785 4.112 1.00 0.00 C ATOM 988 NE ARG A 64 11.905 -3.234 4.929 1.00 0.00 N ATOM 989 CZ ARG A 64 13.217 -3.303 4.685 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.704 -4.024 3.682 1.00 0.00 N ATOM 991 NH2 ARG A 64 14.046 -2.624 5.469 1.00 0.00 N ATOM 0 H ARG A 64 6.915 -3.969 6.221 1.00 0.00 H new ATOM 0 HA ARG A 64 6.287 -4.183 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.673 -4.031 2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.015 -2.523 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.469 -2.447 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.235 -4.137 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.926 -4.866 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.875 -3.383 3.101 1.00 0.00 H new ATOM 0 HE ARG A 64 11.629 -2.743 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.072 -4.544 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.710 -4.058 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.677 -2.065 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.052 -2.662 5.302 1.00 0.00 H new ATOM 1005 N TYR A 65 6.685 -6.406 5.368 1.00 0.00 N ATOM 1006 CA TYR A 65 6.742 -7.852 5.550 1.00 0.00 C ATOM 1007 C TYR A 65 5.319 -8.372 5.728 1.00 0.00 C ATOM 1008 O TYR A 65 4.481 -7.668 6.291 1.00 0.00 O ATOM 1009 CB TYR A 65 7.639 -8.198 6.746 1.00 0.00 C ATOM 1010 CG TYR A 65 9.084 -7.765 6.560 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.995 -8.617 5.908 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.508 -6.494 6.998 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.320 -8.205 5.691 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.831 -6.068 6.773 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.747 -6.930 6.124 1.00 0.00 C ATOM 1016 OH TYR A 65 13.039 -6.550 5.917 1.00 0.00 O ATOM 0 H TYR A 65 6.175 -5.919 6.105 1.00 0.00 H new ATOM 0 HA TYR A 65 7.181 -8.334 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.237 -7.724 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.609 -9.274 6.915 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.674 -9.592 5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.814 -5.843 7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.014 -8.865 5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.146 -5.086 7.095 1.00 0.00 H new ATOM 0 HH TYR A 65 13.175 -5.646 6.271 1.00 0.00 H new ATOM 1026 N THR A 66 5.012 -9.572 5.241 1.00 0.00 N ATOM 1027 CA THR A 66 3.712 -10.181 5.476 1.00 0.00 C ATOM 1028 C THR A 66 3.575 -10.580 6.946 1.00 0.00 C ATOM 1029 O THR A 66 4.547 -10.603 7.708 1.00 0.00 O ATOM 1030 CB THR A 66 3.500 -11.399 4.559 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.510 -12.372 4.754 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.471 -11.008 3.083 1.00 0.00 C ATOM 0 H THR A 66 5.648 -10.140 4.681 1.00 0.00 H new ATOM 0 HA THR A 66 2.941 -9.448 5.240 1.00 0.00 H new ATOM 0 HB THR A 66 2.531 -11.818 4.830 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.349 -13.135 4.160 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.319 -11.899 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.656 -10.306 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.417 -10.540 2.812 1.00 0.00 H new ATOM 1040 N ALA A 67 2.354 -10.960 7.318 1.00 0.00 N ATOM 1041 CA ALA A 67 2.050 -11.580 8.597 1.00 0.00 C ATOM 1042 C ALA A 67 2.910 -12.835 8.811 1.00 0.00 C ATOM 1043 O ALA A 67 3.365 -13.094 9.926 1.00 0.00 O ATOM 1044 CB ALA A 67 0.564 -11.944 8.598 1.00 0.00 C ATOM 0 H ALA A 67 1.534 -10.841 6.723 1.00 0.00 H new ATOM 0 HA ALA A 67 2.272 -10.889 9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.305 -12.412 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.032 -11.041 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.359 -12.638 7.783 1.00 0.00 H new ATOM 1050 N ASP A 68 3.139 -13.601 7.739 1.00 0.00 N ATOM 1051 CA ASP A 68 4.003 -14.784 7.756 1.00 0.00 C ATOM 1052 C ASP A 68 5.483 -14.406 7.895 1.00 0.00 C ATOM 1053 O ASP A 68 6.222 -15.089 8.606 1.00 0.00 O ATOM 1054 CB ASP A 68 3.799 -15.613 6.484 1.00 0.00 C ATOM 1055 CG ASP A 68 4.683 -16.872 6.513 1.00 0.00 C ATOM 1056 OD1 ASP A 68 4.342 -17.835 7.240 1.00 0.00 O ATOM 1057 OD2 ASP A 68 5.705 -16.916 5.795 1.00 0.00 O ATOM 0 H ASP A 68 2.725 -13.414 6.826 1.00 0.00 H new ATOM 0 HA ASP A 68 3.723 -15.378 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.751 -15.899 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.042 -15.011 5.608 1.00 0.00 H new ATOM 1062 N GLY A 69 5.908 -13.304 7.262 1.00 0.00 N ATOM 1063 CA GLY A 69 7.236 -12.710 7.421 1.00 0.00 C ATOM 1064 C GLY A 69 8.004 -12.542 6.105 1.00 0.00 C ATOM 1065 O GLY A 69 9.171 -12.150 6.134 1.00 0.00 O ATOM 0 H GLY A 69 5.319 -12.789 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.132 -11.735 7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.823 -13.333 8.096 1.00 0.00 H new ATOM 1069 N LYS A 70 7.394 -12.854 4.956 1.00 0.00 N ATOM 1070 CA LYS A 70 8.008 -12.678 3.639 1.00 0.00 C ATOM 1071 C LYS A 70 8.149 -11.182 3.385 1.00 0.00 C ATOM 1072 O LYS A 70 7.212 -10.439 3.677 1.00 0.00 O ATOM 1073 CB LYS A 70 7.117 -13.308 2.549 1.00 0.00 C ATOM 1074 CG LYS A 70 6.774 -14.794 2.764 1.00 0.00 C ATOM 1075 CD LYS A 70 7.998 -15.714 2.677 1.00 0.00 C ATOM 1076 CE LYS A 70 7.567 -17.173 2.878 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.711 -18.115 2.812 1.00 0.00 N ATOM 0 H LYS A 70 6.451 -13.240 4.916 1.00 0.00 H new ATOM 0 HA LYS A 70 8.982 -13.166 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.188 -12.742 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.617 -13.202 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.305 -14.915 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.041 -15.103 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.483 -15.599 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.730 -15.434 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.073 -17.273 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.835 -17.441 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.369 -19.087 2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.168 -18.041 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.399 -17.878 3.555 1.00 0.00 H new ATOM 1091 N GLU A 71 9.274 -10.720 2.839 1.00 0.00 N ATOM 1092 CA GLU A 71 9.380 -9.332 2.403 1.00 0.00 C ATOM 1093 C GLU A 71 8.447 -9.158 1.207 1.00 0.00 C ATOM 1094 O GLU A 71 8.516 -9.929 0.250 1.00 0.00 O ATOM 1095 CB GLU A 71 10.832 -8.966 2.061 1.00 0.00 C ATOM 1096 CG GLU A 71 10.926 -7.470 1.722 1.00 0.00 C ATOM 1097 CD GLU A 71 12.360 -6.922 1.638 1.00 0.00 C ATOM 1098 OE1 GLU A 71 13.313 -7.667 1.314 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.526 -5.707 1.884 1.00 0.00 O ATOM 0 H GLU A 71 10.114 -11.280 2.690 1.00 0.00 H new ATOM 0 HA GLU A 71 9.084 -8.654 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.483 -9.199 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.178 -9.562 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.428 -7.295 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.379 -6.905 2.476 1.00 0.00 H new ATOM 1106 N VAL A 72 7.570 -8.158 1.259 1.00 0.00 N ATOM 1107 CA VAL A 72 6.488 -7.984 0.296 1.00 0.00 C ATOM 1108 C VAL A 72 7.029 -7.796 -1.126 1.00 0.00 C ATOM 1109 O VAL A 72 6.474 -8.380 -2.057 1.00 0.00 O ATOM 1110 CB VAL A 72 5.579 -6.825 0.760 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.549 -6.442 -0.310 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.827 -7.221 2.041 1.00 0.00 C ATOM 0 H VAL A 72 7.592 -7.437 1.981 1.00 0.00 H new ATOM 0 HA VAL A 72 5.881 -8.888 0.256 1.00 0.00 H new ATOM 0 HB VAL A 72 6.226 -5.968 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.930 -5.623 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.066 -6.128 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.918 -7.302 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.189 -6.396 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.213 -8.100 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.545 -7.448 2.829 1.00 0.00 H new ATOM 1122 N LEU A 73 8.115 -7.034 -1.314 1.00 0.00 N ATOM 1123 CA LEU A 73 8.655 -6.811 -2.657 1.00 0.00 C ATOM 1124 C LEU A 73 9.181 -8.115 -3.254 1.00 0.00 C ATOM 1125 O LEU A 73 9.013 -8.343 -4.449 1.00 0.00 O ATOM 1126 CB LEU A 73 9.771 -5.749 -2.664 1.00 0.00 C ATOM 1127 CG LEU A 73 9.327 -4.312 -2.325 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.521 -3.364 -2.480 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.174 -3.805 -3.205 1.00 0.00 C ATOM 0 H LEU A 73 8.628 -6.569 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 73 7.833 -6.439 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.539 -6.050 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.236 -5.743 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 73 8.963 -4.331 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.211 -2.347 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.318 -3.669 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.884 -3.401 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.913 -2.788 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.483 -3.813 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.307 -4.453 -3.078 1.00 0.00 H new ATOM 1141 N GLU A 74 9.786 -8.987 -2.444 1.00 0.00 N ATOM 1142 CA GLU A 74 10.291 -10.273 -2.918 1.00 0.00 C ATOM 1143 C GLU A 74 9.122 -11.229 -3.157 1.00 0.00 C ATOM 1144 O GLU A 74 9.100 -11.934 -4.168 1.00 0.00 O ATOM 1145 CB GLU A 74 11.274 -10.866 -1.897 1.00 0.00 C ATOM 1146 CG GLU A 74 12.551 -10.026 -1.747 1.00 0.00 C ATOM 1147 CD GLU A 74 13.426 -10.048 -3.014 1.00 0.00 C ATOM 1148 OE1 GLU A 74 14.154 -11.042 -3.240 1.00 0.00 O ATOM 1149 OE2 GLU A 74 13.414 -9.066 -3.789 1.00 0.00 O ATOM 0 H GLU A 74 9.938 -8.821 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 74 10.822 -10.125 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.781 -10.946 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.543 -11.877 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.279 -8.996 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.131 -10.400 -0.903 1.00 0.00 H new ATOM 1156 N TYR A 75 8.129 -11.219 -2.262 1.00 0.00 N ATOM 1157 CA TYR A 75 6.945 -12.055 -2.360 1.00 0.00 C ATOM 1158 C TYR A 75 6.203 -11.763 -3.661 1.00 0.00 C ATOM 1159 O TYR A 75 5.922 -12.689 -4.418 1.00 0.00 O ATOM 1160 CB TYR A 75 6.036 -11.820 -1.146 1.00 0.00 C ATOM 1161 CG TYR A 75 4.848 -12.759 -1.092 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.020 -14.057 -0.577 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.585 -12.353 -1.567 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.931 -14.942 -0.502 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.492 -13.238 -1.511 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.659 -14.533 -0.966 1.00 0.00 C ATOM 1167 OH TYR A 75 1.591 -15.375 -0.888 1.00 0.00 O ATOM 0 H TYR A 75 8.133 -10.617 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 75 7.245 -13.103 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.623 -11.936 -0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.676 -10.791 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.995 -14.375 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.455 -11.361 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.065 -15.932 -0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.527 -12.929 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 75 1.701 -15.972 -0.119 1.00 0.00 H new ATOM 1177 N LEU A 76 5.922 -10.487 -3.940 1.00 0.00 N ATOM 1178 CA LEU A 76 5.248 -10.057 -5.160 1.00 0.00 C ATOM 1179 C LEU A 76 6.182 -10.182 -6.364 1.00 0.00 C ATOM 1180 O LEU A 76 5.706 -10.407 -7.475 1.00 0.00 O ATOM 1181 CB LEU A 76 4.777 -8.598 -5.023 1.00 0.00 C ATOM 1182 CG LEU A 76 3.638 -8.373 -4.006 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.367 -6.869 -3.873 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.350 -9.104 -4.411 1.00 0.00 C ATOM 0 H LEU A 76 6.161 -9.717 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 76 4.383 -10.701 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.629 -7.983 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.446 -8.245 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 76 3.956 -8.784 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.563 -6.706 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.270 -6.366 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.075 -6.465 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.576 -8.917 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.015 -8.740 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.543 -10.175 -4.472 1.00 0.00 H new ATOM 1196 N GLY A 77 7.496 -10.036 -6.164 1.00 0.00 N ATOM 1197 CA GLY A 77 8.487 -10.152 -7.224 1.00 0.00 C ATOM 1198 C GLY A 77 8.519 -11.559 -7.820 1.00 0.00 C ATOM 1199 O GLY A 77 8.661 -11.700 -9.034 1.00 0.00 O ATOM 0 H GLY A 77 7.900 -9.832 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.265 -9.430 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.472 -9.902 -6.830 1.00 0.00 H new ATOM 1203 N ASN A 78 8.359 -12.592 -6.986 1.00 0.00 N ATOM 1204 CA ASN A 78 8.221 -13.977 -7.431 1.00 0.00 C ATOM 1205 C ASN A 78 6.929 -14.112 -8.255 1.00 0.00 C ATOM 1206 O ASN A 78 5.846 -13.929 -7.690 1.00 0.00 O ATOM 1207 CB ASN A 78 8.191 -14.911 -6.207 1.00 0.00 C ATOM 1208 CG ASN A 78 8.008 -16.387 -6.564 1.00 0.00 C ATOM 1209 OD1 ASN A 78 7.821 -16.766 -7.716 1.00 0.00 O ATOM 1210 ND2 ASN A 78 8.056 -17.263 -5.575 1.00 0.00 N ATOM 0 H ASN A 78 8.322 -12.485 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 78 9.069 -14.258 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.120 -14.794 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.381 -14.603 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.937 -18.257 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.212 -16.944 -4.619 1.00 0.00 H new ATOM 1217 N PRO A 79 6.982 -14.462 -9.557 1.00 0.00 N ATOM 1218 CA PRO A 79 5.789 -14.523 -10.388 1.00 0.00 C ATOM 1219 C PRO A 79 4.814 -15.636 -9.997 1.00 0.00 C ATOM 1220 O PRO A 79 3.658 -15.587 -10.418 1.00 0.00 O ATOM 1221 CB PRO A 79 6.275 -14.602 -11.832 1.00 0.00 C ATOM 1222 CG PRO A 79 7.639 -15.276 -11.698 1.00 0.00 C ATOM 1223 CD PRO A 79 8.163 -14.752 -10.359 1.00 0.00 C ATOM 0 HA PRO A 79 5.181 -13.630 -10.243 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.596 -15.184 -12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.356 -13.614 -12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.552 -16.363 -11.698 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.302 -15.009 -12.521 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.796 -15.493 -9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.770 -13.857 -10.500 1.00 0.00 H new ATOM 1231 N ALA A 80 5.209 -16.587 -9.138 1.00 0.00 N ATOM 1232 CA ALA A 80 4.271 -17.541 -8.550 1.00 0.00 C ATOM 1233 C ALA A 80 3.186 -16.820 -7.724 1.00 0.00 C ATOM 1234 O ALA A 80 2.136 -17.405 -7.459 1.00 0.00 O ATOM 1235 CB ALA A 80 5.027 -18.549 -7.678 1.00 0.00 C ATOM 0 H ALA A 80 6.176 -16.712 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 80 3.773 -18.074 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.320 -19.256 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.751 -19.088 -8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.548 -18.021 -6.880 1.00 0.00 H new ATOM 1241 N ASN A 81 3.419 -15.553 -7.349 1.00 0.00 N ATOM 1242 CA ASN A 81 2.492 -14.698 -6.613 1.00 0.00 C ATOM 1243 C ASN A 81 2.169 -13.436 -7.427 1.00 0.00 C ATOM 1244 O ASN A 81 1.778 -12.428 -6.839 1.00 0.00 O ATOM 1245 CB ASN A 81 3.081 -14.287 -5.251 1.00 0.00 C ATOM 1246 CG ASN A 81 3.622 -15.430 -4.406 1.00 0.00 C ATOM 1247 OD1 ASN A 81 2.961 -16.443 -4.190 1.00 0.00 O ATOM 1248 ND2 ASN A 81 4.845 -15.291 -3.925 1.00 0.00 N ATOM 0 H ASN A 81 4.298 -15.082 -7.562 1.00 0.00 H new ATOM 0 HA ASN A 81 1.578 -15.267 -6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.885 -13.571 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.309 -13.769 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.259 -16.034 -3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.375 -14.441 -4.117 1.00 0.00 H new ATOM 1255 N TYR A 82 2.358 -13.436 -8.757 1.00 0.00 N ATOM 1256 CA TYR A 82 1.863 -12.336 -9.582 1.00 0.00 C ATOM 1257 C TYR A 82 0.334 -12.234 -9.467 1.00 0.00 C ATOM 1258 O TYR A 82 -0.125 -11.181 -9.031 1.00 0.00 O ATOM 1259 CB TYR A 82 2.326 -12.433 -11.052 1.00 0.00 C ATOM 1260 CG TYR A 82 3.634 -11.760 -11.452 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.560 -11.268 -10.507 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.919 -11.623 -12.826 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.753 -10.655 -10.926 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.107 -11.006 -13.255 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.033 -10.519 -12.306 1.00 0.00 C ATOM 1266 OH TYR A 82 7.183 -9.923 -12.730 1.00 0.00 O ATOM 0 H TYR A 82 2.841 -14.173 -9.271 1.00 0.00 H new ATOM 0 HA TYR A 82 2.301 -11.415 -9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.407 -13.490 -11.304 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.535 -12.016 -11.676 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.350 -11.364 -9.452 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.217 -11.996 -13.557 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.457 -10.287 -10.194 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.312 -10.904 -14.311 1.00 0.00 H new ATOM 0 HH TYR A 82 7.207 -9.919 -13.710 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.469 -13.264 -9.810 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.913 -13.204 -9.633 1.00 0.00 C ATOM 1278 C PRO A 83 -2.255 -13.334 -8.142 1.00 0.00 C ATOM 1279 O PRO A 83 -2.166 -14.433 -7.586 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.481 -14.347 -10.482 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.351 -15.376 -10.512 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.091 -14.514 -10.462 1.00 0.00 C ATOM 0 HA PRO A 83 -2.346 -12.257 -9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.387 -14.761 -10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.741 -14.009 -11.485 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.406 -16.059 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.386 -15.986 -11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.701 -15.017 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.292 -14.328 -11.466 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.654 -12.239 -7.487 1.00 0.00 N ATOM 1291 CA VAL A 84 -3.042 -12.246 -6.072 1.00 0.00 C ATOM 1292 C VAL A 84 -4.142 -11.216 -5.815 1.00 0.00 C ATOM 1293 O VAL A 84 -4.281 -10.238 -6.553 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.836 -11.966 -5.131 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.920 -13.184 -4.942 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -0.994 -10.752 -5.550 1.00 0.00 C ATOM 0 H VAL A 84 -2.717 -11.320 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.415 -13.246 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.304 -11.734 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.099 -12.922 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.491 -14.005 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.519 -13.491 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.172 -10.619 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.593 -10.915 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.619 -9.859 -5.551 1.00 0.00 H new ATOM 1306 N SER A 85 -4.914 -11.428 -4.751 1.00 0.00 N ATOM 1307 CA SER A 85 -5.849 -10.442 -4.233 1.00 0.00 C ATOM 1308 C SER A 85 -5.033 -9.527 -3.323 1.00 0.00 C ATOM 1309 O SER A 85 -4.138 -10.003 -2.617 1.00 0.00 O ATOM 1310 CB SER A 85 -6.964 -11.139 -3.445 1.00 0.00 C ATOM 1311 OG SER A 85 -7.584 -12.145 -4.234 1.00 0.00 O ATOM 0 H SER A 85 -4.905 -12.300 -4.221 1.00 0.00 H new ATOM 0 HA SER A 85 -6.327 -9.876 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.552 -11.583 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.707 -10.406 -3.132 1.00 0.00 H new ATOM 0 HG SER A 85 -8.291 -12.579 -3.713 1.00 0.00 H new ATOM 1317 N ILE A 86 -5.315 -8.229 -3.322 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.586 -7.247 -2.525 1.00 0.00 C ATOM 1319 C ILE A 86 -5.618 -6.266 -1.967 1.00 0.00 C ATOM 1320 O ILE A 86 -6.620 -5.972 -2.624 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.484 -6.546 -3.369 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.616 -7.536 -4.188 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.576 -5.706 -2.455 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.499 -6.886 -5.015 1.00 0.00 C ATOM 0 H ILE A 86 -6.065 -7.823 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.056 -7.725 -1.701 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.003 -5.908 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.169 -8.256 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.266 -8.096 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.807 -5.219 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.173 -4.949 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.104 -6.354 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.948 -7.658 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.935 -6.188 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.820 -6.350 -4.352 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.362 -5.749 -0.763 1.00 0.00 N ATOM 1337 CA ARG A 87 -6.150 -4.719 -0.096 1.00 0.00 C ATOM 1338 C ARG A 87 -5.209 -3.553 0.167 1.00 0.00 C ATOM 1339 O ARG A 87 -4.075 -3.793 0.596 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.742 -5.232 1.230 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.473 -6.582 1.120 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.213 -6.941 2.416 1.00 0.00 C ATOM 1343 NE ARG A 87 -9.368 -6.055 2.639 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.604 -5.232 3.666 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -8.766 -5.134 4.696 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.710 -4.505 3.616 1.00 0.00 N ATOM 0 H ARG A 87 -4.564 -6.053 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.991 -4.423 -0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.938 -5.326 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.437 -4.487 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.184 -6.543 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.753 -7.366 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.551 -7.976 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.528 -6.867 3.260 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.084 -6.071 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.915 -5.696 4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.975 -4.496 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.339 -4.588 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.933 -3.863 4.376 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.680 -2.327 -0.054 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.903 -1.093 -0.067 1.00 0.00 C ATOM 1362 C PHE A 88 -5.619 -0.027 0.757 1.00 0.00 C ATOM 1363 O PHE A 88 -6.851 0.007 0.830 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.770 -0.573 -1.508 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.731 -1.263 -2.365 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -2.406 -0.790 -2.358 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.091 -2.325 -3.215 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -1.435 -1.398 -3.168 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -3.125 -2.904 -4.057 1.00 0.00 C ATOM 1370 CZ PHE A 88 -1.794 -2.456 -4.016 1.00 0.00 C ATOM 0 H PHE A 88 -6.669 -2.161 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.917 -1.298 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.739 -0.667 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.534 0.490 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.135 0.044 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.106 -2.694 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.412 -1.052 -3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.407 -3.695 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.047 -2.927 -4.638 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.849 0.896 1.323 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.347 1.991 2.132 1.00 0.00 C ATOM 1382 C GLY A 89 -4.305 3.098 2.200 1.00 0.00 C ATOM 1383 O GLY A 89 -3.326 3.100 1.453 1.00 0.00 O ATOM 0 H GLY A 89 -3.834 0.899 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.274 2.377 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.580 1.637 3.136 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.522 4.066 3.087 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.494 5.060 3.408 1.00 0.00 C ATOM 1389 C ARG A 90 -2.336 4.330 4.108 1.00 0.00 C ATOM 1390 O ARG A 90 -2.546 3.200 4.561 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.053 6.126 4.372 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.190 7.019 3.846 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.546 6.326 3.658 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.960 5.555 4.846 1.00 0.00 N ATOM 1395 CZ ARG A 90 -8.137 4.947 5.009 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -9.051 4.954 4.043 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -8.375 4.335 6.162 1.00 0.00 N ATOM 0 H ARG A 90 -5.397 4.186 3.597 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.164 5.551 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.409 5.618 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.229 6.771 4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.321 7.853 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.883 7.442 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.305 7.076 3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.493 5.659 2.797 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.288 5.480 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.858 5.429 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.945 4.484 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.667 4.337 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.266 3.862 6.314 1.00 0.00 H new ATOM 1411 N PRO A 91 -1.144 4.932 4.254 1.00 0.00 N ATOM 1412 CA PRO A 91 -0.103 4.373 5.112 1.00 0.00 C ATOM 1413 C PRO A 91 -0.664 4.050 6.507 1.00 0.00 C ATOM 1414 O PRO A 91 -1.653 4.647 6.943 1.00 0.00 O ATOM 1415 CB PRO A 91 1.007 5.429 5.147 1.00 0.00 C ATOM 1416 CG PRO A 91 0.838 6.152 3.811 1.00 0.00 C ATOM 1417 CD PRO A 91 -0.675 6.145 3.601 1.00 0.00 C ATOM 0 HA PRO A 91 0.285 3.426 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.891 6.109 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.994 4.974 5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.235 7.166 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.359 5.636 3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.137 7.031 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -0.926 6.144 2.540 1.00 0.00 H new ATOM 1425 N ARG A 92 -0.017 3.123 7.223 1.00 0.00 N ATOM 1426 CA ARG A 92 -0.533 2.535 8.468 1.00 0.00 C ATOM 1427 C ARG A 92 -0.993 3.551 9.519 1.00 0.00 C ATOM 1428 O ARG A 92 -1.924 3.258 10.268 1.00 0.00 O ATOM 1429 CB ARG A 92 0.505 1.553 9.055 1.00 0.00 C ATOM 1430 CG ARG A 92 -0.163 0.344 9.729 1.00 0.00 C ATOM 1431 CD ARG A 92 -0.664 -0.668 8.687 1.00 0.00 C ATOM 1432 NE ARG A 92 -1.733 -1.509 9.241 1.00 0.00 N ATOM 1433 CZ ARG A 92 -1.846 -2.840 9.163 1.00 0.00 C ATOM 1434 NH1 ARG A 92 -0.935 -3.597 8.561 1.00 0.00 N ATOM 1435 NH2 ARG A 92 -2.900 -3.427 9.698 1.00 0.00 N ATOM 0 H ARG A 92 0.894 2.754 6.951 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.441 1.998 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.166 1.206 8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.127 2.075 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.548 -0.141 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.998 0.682 10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.032 -0.138 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.164 -1.296 8.358 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.475 -1.022 9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.113 -3.166 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.057 -4.609 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.615 -2.867 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.000 -4.441 9.647 1.00 0.00 H new ATOM 1449 N LEU A 93 -0.403 4.751 9.542 1.00 0.00 N ATOM 1450 CA LEU A 93 -0.804 5.861 10.411 1.00 0.00 C ATOM 1451 C LEU A 93 -2.308 6.176 10.323 1.00 0.00 C ATOM 1452 O LEU A 93 -2.890 6.628 11.309 1.00 0.00 O ATOM 1453 CB LEU A 93 0.047 7.096 10.058 1.00 0.00 C ATOM 1454 CG LEU A 93 -0.208 8.346 10.928 1.00 0.00 C ATOM 1455 CD1 LEU A 93 0.079 8.096 12.415 1.00 0.00 C ATOM 1456 CD2 LEU A 93 0.680 9.495 10.439 1.00 0.00 C ATOM 0 H LEU A 93 0.388 4.982 8.940 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.626 5.568 11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.100 6.826 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.136 7.356 9.015 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.264 8.598 10.830 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.116 9.007 12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.565 7.296 12.780 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.123 7.807 12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.502 10.379 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.728 9.204 10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.443 9.721 9.399 1.00 0.00 H new ATOM 1468 N THR A 94 -2.944 5.901 9.181 1.00 0.00 N ATOM 1469 CA THR A 94 -4.359 6.177 8.926 1.00 0.00 C ATOM 1470 C THR A 94 -5.058 4.915 8.370 1.00 0.00 C ATOM 1471 O THR A 94 -6.091 5.012 7.700 1.00 0.00 O ATOM 1472 CB THR A 94 -4.488 7.428 8.022 1.00 0.00 C ATOM 1473 OG1 THR A 94 -3.478 8.391 8.292 1.00 0.00 O ATOM 1474 CG2 THR A 94 -5.830 8.150 8.195 1.00 0.00 C ATOM 0 H THR A 94 -2.474 5.468 8.386 1.00 0.00 H new ATOM 0 HA THR A 94 -4.879 6.415 9.854 1.00 0.00 H new ATOM 0 HB THR A 94 -4.395 7.039 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.595 9.163 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.864 9.018 7.537 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.644 7.471 7.941 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.938 8.475 9.230 1.00 0.00 H new ATOM 1482 N SER A 95 -4.506 3.727 8.648 1.00 0.00 N ATOM 1483 CA SER A 95 -5.043 2.432 8.246 1.00 0.00 C ATOM 1484 C SER A 95 -4.658 1.408 9.321 1.00 0.00 C ATOM 1485 O SER A 95 -3.692 0.656 9.167 1.00 0.00 O ATOM 1486 CB SER A 95 -4.510 2.027 6.868 1.00 0.00 C ATOM 1487 OG SER A 95 -4.848 2.965 5.867 1.00 0.00 O ATOM 0 H SER A 95 -3.640 3.645 9.180 1.00 0.00 H new ATOM 0 HA SER A 95 -6.128 2.481 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.426 1.924 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.911 1.050 6.598 1.00 0.00 H new ATOM 0 HG SER A 95 -4.033 3.274 5.420 1.00 0.00 H new ATOM 1493 N ASN A 96 -5.364 1.447 10.455 1.00 0.00 N ATOM 1494 CA ASN A 96 -5.177 0.476 11.532 1.00 0.00 C ATOM 1495 C ASN A 96 -5.356 -0.940 10.996 1.00 0.00 C ATOM 1496 O ASN A 96 -6.382 -1.199 10.335 1.00 0.00 O ATOM 1497 CB ASN A 96 -6.156 0.725 12.684 1.00 0.00 C ATOM 1498 CG ASN A 96 -6.042 -0.392 13.716 1.00 0.00 C ATOM 1499 OD1 ASN A 96 -6.951 -1.199 13.881 1.00 0.00 O ATOM 1500 ND2 ASN A 96 -4.930 -0.461 14.430 1.00 0.00 N ATOM 1501 OXT ASN A 96 -4.464 -1.778 11.237 1.00 0.00 O ATOM 0 H ASN A 96 -6.077 2.150 10.650 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.164 0.593 11.917 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -5.943 1.686 13.152 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -7.175 0.775 12.301 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.819 -1.194 15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -4.184 0.218 14.279 1.00 0.00 H new TER 1508 ASN A 96