USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 721 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 24 ASN : amide:sc= 1.25 K(o=-0.066,f=-1.2) USER MOD Set 1.2: A 32 TYR OH : rot 150:sc= -1.32 USER MOD Set 2.1: A 4 HIS : no HE2:sc= 0.825 K(o=1.8,f=-6.3!) USER MOD Set 2.2: A 62 SER OG : rot -78:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.22 (180deg=-0.769) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0352) USER MOD Single : A 3 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc= -0.158 F(o=-1.7!,f=-0.16) USER MOD Single : A 11 MET CE :methyl 163:sc= -0.416 (180deg=-1.02) USER MOD Single : A 13 THR OG1 : rot -138:sc= 0.139 USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= 0.6 (180deg=-2.54!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.19) USER MOD Single : A 18 ASN : amide:sc= -0.34 K(o=-0.34,f=-4.6!) USER MOD Single : A 21 MET CE :methyl 177:sc= -1.81 (180deg=-1.86!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 138:sc= -1.33! (180deg=-4.01!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.51 K(o=-0.51,f=-2.1) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 0.825 (180deg=0.637) USER MOD Single : A 48 MET CE :methyl 176:sc= -0.615 (180deg=-0.631) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.244) USER MOD Single : A 58 GLN : amide:sc= 0.667 K(o=0.67,f=-0.5) USER MOD Single : A 63 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ -137:sc= 0.0122 (180deg=-0.0101) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0331) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.0371 (180deg=-0.37) USER MOD Single : A 83 THR OG1 : rot 35:sc= 0.268 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.816 -1.845 24.630 1.00 4.00 N ATOM 2 CA MET A 1 7.598 -2.679 23.412 1.00 52.31 C ATOM 3 C MET A 1 7.064 -1.838 22.241 1.00 14.23 C ATOM 4 O MET A 1 7.422 -2.072 21.084 1.00 21.52 O ATOM 5 CB MET A 1 6.619 -3.824 23.726 1.00 71.54 C ATOM 6 CG MET A 1 6.350 -4.760 22.549 1.00 51.44 C ATOM 7 SD MET A 1 5.166 -6.065 22.947 1.00 41.30 S ATOM 8 CE MET A 1 3.714 -5.098 23.364 1.00 72.22 C ATOM 0 H1 MET A 1 8.271 -2.420 25.368 1.00 4.00 H new ATOM 0 H2 MET A 1 8.428 -1.038 24.393 1.00 4.00 H new ATOM 0 H3 MET A 1 6.901 -1.495 24.979 1.00 4.00 H new ATOM 0 HA MET A 1 8.561 -3.095 23.115 1.00 52.31 H new ATOM 0 HB2 MET A 1 7.015 -4.408 24.557 1.00 71.54 H new ATOM 0 HB3 MET A 1 5.673 -3.397 24.059 1.00 71.54 H new ATOM 0 HG2 MET A 1 5.973 -4.179 21.707 1.00 51.44 H new ATOM 0 HG3 MET A 1 7.289 -5.213 22.229 1.00 51.44 H new ATOM 0 HE1 MET A 1 2.826 -5.582 22.958 1.00 72.22 H new ATOM 0 HE2 MET A 1 3.624 -5.025 24.448 1.00 72.22 H new ATOM 0 HE3 MET A 1 3.808 -4.098 22.940 1.00 72.22 H new ATOM 20 N GLY A 2 6.198 -0.871 22.541 1.00 74.24 N ATOM 21 CA GLY A 2 5.653 0.005 21.510 1.00 64.41 C ATOM 22 C GLY A 2 5.200 1.353 22.062 1.00 43.05 C ATOM 23 O GLY A 2 4.384 1.412 22.981 1.00 25.12 O ATOM 0 H GLY A 2 5.862 -0.677 23.484 1.00 74.24 H new ATOM 0 HA2 GLY A 2 6.408 0.167 20.741 1.00 64.41 H new ATOM 0 HA3 GLY A 2 4.808 -0.488 21.029 1.00 64.41 H new ATOM 27 N HIS A 3 5.731 2.440 21.501 1.00 24.31 N ATOM 28 CA HIS A 3 5.377 3.800 21.940 1.00 5.33 C ATOM 29 C HIS A 3 5.684 4.834 20.845 1.00 55.12 C ATOM 30 O HIS A 3 6.456 4.565 19.927 1.00 11.10 O ATOM 31 CB HIS A 3 6.132 4.159 23.230 1.00 50.32 C ATOM 32 CG HIS A 3 7.625 4.068 23.106 1.00 4.23 C ATOM 33 ND1 HIS A 3 8.443 5.174 23.004 1.00 51.11 N ATOM 34 CD2 HIS A 3 8.452 2.995 23.083 1.00 3.44 C ATOM 35 CE1 HIS A 3 9.698 4.787 22.925 1.00 2.51 C ATOM 36 NE2 HIS A 3 9.732 3.472 22.971 1.00 74.20 N ATOM 0 H HIS A 3 6.409 2.410 20.740 1.00 24.31 H new ATOM 0 HA HIS A 3 4.305 3.820 22.137 1.00 5.33 H new ATOM 0 HB2 HIS A 3 5.863 5.173 23.527 1.00 50.32 H new ATOM 0 HB3 HIS A 3 5.802 3.495 24.029 1.00 50.32 H new ATOM 0 HD2 HIS A 3 8.158 1.958 23.142 1.00 3.44 H new ATOM 0 HE1 HIS A 3 10.555 5.438 22.837 1.00 2.51 H new ATOM 0 HE2 HIS A 3 10.575 2.900 22.930 1.00 74.20 H new ATOM 45 N HIS A 4 5.065 6.012 20.941 1.00 33.34 N ATOM 46 CA HIS A 4 5.301 7.097 19.976 1.00 41.41 C ATOM 47 C HIS A 4 5.266 8.479 20.652 1.00 23.43 C ATOM 48 O HIS A 4 4.478 8.711 21.568 1.00 32.45 O ATOM 49 CB HIS A 4 4.249 7.063 18.856 1.00 12.41 C ATOM 50 CG HIS A 4 4.306 5.842 17.987 1.00 73.14 C ATOM 51 ND1 HIS A 4 3.335 4.866 17.996 1.00 71.21 N ATOM 52 CD2 HIS A 4 5.214 5.452 17.060 1.00 21.33 C ATOM 53 CE1 HIS A 4 3.640 3.933 17.119 1.00 2.55 C ATOM 54 NE2 HIS A 4 4.773 4.262 16.535 1.00 33.33 N ATOM 0 H HIS A 4 4.396 6.243 21.676 1.00 33.34 H new ATOM 0 HA HIS A 4 6.294 6.939 19.556 1.00 41.41 H new ATOM 0 HB2 HIS A 4 3.257 7.129 19.304 1.00 12.41 H new ATOM 0 HB3 HIS A 4 4.375 7.946 18.229 1.00 12.41 H new ATOM 0 HD1 HIS A 4 2.506 4.866 18.591 1.00 71.21 H new ATOM 0 HD2 HIS A 4 6.116 5.979 16.785 1.00 21.33 H new ATOM 0 HE1 HIS A 4 3.058 3.047 16.913 1.00 2.55 H new ATOM 63 N HIS A 5 6.123 9.392 20.196 1.00 44.51 N ATOM 64 CA HIS A 5 6.055 10.794 20.629 1.00 63.10 C ATOM 65 C HIS A 5 4.930 11.542 19.896 1.00 73.24 C ATOM 66 O HIS A 5 4.455 12.580 20.359 1.00 32.32 O ATOM 67 CB HIS A 5 7.403 11.496 20.416 1.00 34.34 C ATOM 68 CG HIS A 5 8.378 11.262 21.530 1.00 31.11 C ATOM 69 ND1 HIS A 5 9.066 10.083 21.696 1.00 24.15 N ATOM 70 CD2 HIS A 5 8.766 12.064 22.549 1.00 43.25 C ATOM 71 CE1 HIS A 5 9.831 10.167 22.765 1.00 41.43 C ATOM 72 NE2 HIS A 5 9.670 11.358 23.303 1.00 31.15 N ATOM 0 H HIS A 5 6.870 9.191 19.531 1.00 44.51 H new ATOM 0 HA HIS A 5 5.829 10.806 21.695 1.00 63.10 H new ATOM 0 HB2 HIS A 5 7.841 11.149 19.480 1.00 34.34 H new ATOM 0 HB3 HIS A 5 7.234 12.568 20.310 1.00 34.34 H new ATOM 0 HD2 HIS A 5 8.427 13.073 22.734 1.00 43.25 H new ATOM 0 HE1 HIS A 5 10.481 9.389 23.138 1.00 41.43 H new ATOM 0 HE2 HIS A 5 10.140 11.700 24.142 1.00 31.15 H new ATOM 81 N HIS A 6 4.518 11.009 18.745 1.00 74.00 N ATOM 82 CA HIS A 6 3.362 11.540 18.016 1.00 21.10 C ATOM 83 C HIS A 6 2.066 10.953 18.594 1.00 21.01 C ATOM 84 O HIS A 6 1.753 9.784 18.368 1.00 52.32 O ATOM 85 CB HIS A 6 3.463 11.211 16.519 1.00 11.53 C ATOM 86 CG HIS A 6 4.741 11.667 15.883 1.00 33.22 C ATOM 87 ND1 HIS A 6 4.982 12.974 15.527 1.00 1.14 N ATOM 88 CD2 HIS A 6 5.854 10.977 15.531 1.00 22.12 C ATOM 89 CE1 HIS A 6 6.181 13.070 14.988 1.00 14.40 C ATOM 90 NE2 HIS A 6 6.732 11.874 14.977 1.00 62.12 N ATOM 0 H HIS A 6 4.966 10.210 18.296 1.00 74.00 H new ATOM 0 HA HIS A 6 3.350 12.624 18.130 1.00 21.10 H new ATOM 0 HB2 HIS A 6 3.367 10.133 16.386 1.00 11.53 H new ATOM 0 HB3 HIS A 6 2.624 11.673 15.998 1.00 11.53 H new ATOM 0 HD2 HIS A 6 6.019 9.918 15.662 1.00 22.12 H new ATOM 0 HE1 HIS A 6 6.635 13.977 14.618 1.00 14.40 H new ATOM 0 HE2 HIS A 6 7.659 11.651 14.616 1.00 62.12 H new ATOM 99 N HIS A 7 1.322 11.770 19.339 1.00 4.33 N ATOM 100 CA HIS A 7 0.130 11.304 20.066 1.00 32.44 C ATOM 101 C HIS A 7 -0.924 10.688 19.130 1.00 62.23 C ATOM 102 O HIS A 7 -1.640 9.762 19.509 1.00 12.31 O ATOM 103 CB HIS A 7 -0.489 12.458 20.860 1.00 20.52 C ATOM 104 CG HIS A 7 0.449 13.071 21.859 1.00 12.32 C ATOM 105 ND1 HIS A 7 0.999 12.366 22.908 1.00 42.11 N ATOM 106 CD2 HIS A 7 0.939 14.331 21.964 1.00 53.03 C ATOM 107 CE1 HIS A 7 1.778 13.158 23.613 1.00 20.32 C ATOM 108 NE2 HIS A 7 1.761 14.354 23.064 1.00 62.24 N ATOM 0 H HIS A 7 1.521 12.763 19.458 1.00 4.33 H new ATOM 0 HA HIS A 7 0.457 10.520 20.749 1.00 32.44 H new ATOM 0 HB2 HIS A 7 -0.821 13.229 20.165 1.00 20.52 H new ATOM 0 HB3 HIS A 7 -1.375 12.095 21.381 1.00 20.52 H new ATOM 0 HD2 HIS A 7 0.723 15.160 21.306 1.00 53.03 H new ATOM 0 HE1 HIS A 7 2.337 12.875 24.493 1.00 20.32 H new ATOM 0 HE2 HIS A 7 2.276 15.167 23.401 1.00 62.24 H new ATOM 117 N HIS A 8 -1.035 11.221 17.916 1.00 54.21 N ATOM 118 CA HIS A 8 -1.952 10.669 16.910 1.00 32.41 C ATOM 119 C HIS A 8 -1.182 10.190 15.670 1.00 11.33 C ATOM 120 O HIS A 8 -0.407 10.943 15.078 1.00 3.43 O ATOM 121 CB HIS A 8 -2.997 11.715 16.502 1.00 10.32 C ATOM 122 CG HIS A 8 -3.816 12.228 17.648 1.00 11.41 C ATOM 123 ND1 HIS A 8 -4.980 11.627 18.074 1.00 44.41 N ATOM 124 CD2 HIS A 8 -3.630 13.291 18.466 1.00 2.42 C ATOM 125 CE1 HIS A 8 -5.469 12.290 19.100 1.00 70.54 C ATOM 126 NE2 HIS A 8 -4.670 13.305 19.361 1.00 74.03 N ATOM 0 H HIS A 8 -0.504 12.033 17.601 1.00 54.21 H new ATOM 0 HA HIS A 8 -2.461 9.814 17.355 1.00 32.41 H new ATOM 0 HB2 HIS A 8 -2.491 12.554 16.024 1.00 10.32 H new ATOM 0 HB3 HIS A 8 -3.663 11.279 15.758 1.00 10.32 H new ATOM 0 HD2 HIS A 8 -2.814 13.997 18.422 1.00 2.42 H new ATOM 0 HE1 HIS A 8 -6.373 12.044 19.638 1.00 70.54 H new ATOM 0 HE2 HIS A 8 -4.803 13.989 20.106 1.00 74.03 H new ATOM 135 N SER A 9 -1.394 8.929 15.285 1.00 44.03 N ATOM 136 CA SER A 9 -0.730 8.350 14.103 1.00 23.10 C ATOM 137 C SER A 9 -1.726 8.145 12.951 1.00 15.42 C ATOM 138 O SER A 9 -2.543 7.219 12.975 1.00 23.54 O ATOM 139 CB SER A 9 -0.060 7.014 14.461 1.00 70.33 C ATOM 140 OG SER A 9 0.918 7.179 15.482 1.00 74.32 O ATOM 0 H SER A 9 -2.019 8.286 15.771 1.00 44.03 H new ATOM 0 HA SER A 9 0.035 9.054 13.774 1.00 23.10 H new ATOM 0 HB2 SER A 9 -0.817 6.303 14.792 1.00 70.33 H new ATOM 0 HB3 SER A 9 0.408 6.591 13.572 1.00 70.33 H new ATOM 0 HG SER A 9 1.325 6.312 15.689 1.00 74.32 H new ATOM 146 N HIS A 10 -1.667 9.027 11.952 1.00 40.52 N ATOM 147 CA HIS A 10 -2.569 8.966 10.795 1.00 14.11 C ATOM 148 C HIS A 10 -2.012 9.811 9.634 1.00 22.32 C ATOM 149 O HIS A 10 -1.108 10.624 9.836 1.00 70.31 O ATOM 150 CB HIS A 10 -3.963 9.465 11.205 1.00 31.42 C ATOM 151 CG HIS A 10 -5.043 9.182 10.207 1.00 61.12 C ATOM 152 ND1 HIS A 10 -5.592 8.010 9.807 1.00 31.45 N flip ATOM 153 CD2 HIS A 10 -5.712 10.166 9.519 1.00 51.50 C flip ATOM 154 CE1 HIS A 10 -6.572 8.313 8.896 1.00 13.15 C flip ATOM 155 NE2 HIS A 10 -6.622 9.618 8.743 1.00 74.04 N flip ATOM 0 H HIS A 10 -1.000 9.798 11.919 1.00 40.52 H new ATOM 0 HA HIS A 10 -2.646 7.933 10.455 1.00 14.11 H new ATOM 0 HB2 HIS A 10 -4.234 9.005 12.155 1.00 31.42 H new ATOM 0 HB3 HIS A 10 -3.915 10.541 11.374 1.00 31.42 H new ATOM 0 HD1 HIS A 10 -5.327 7.077 10.124 1.00 31.45 H new ATOM 0 HD2 HIS A 10 -5.520 11.226 9.603 1.00 51.50 H new ATOM 0 HE1 HIS A 10 -7.200 7.596 8.387 1.00 13.15 H new ATOM 164 N MET A 11 -2.541 9.618 8.424 1.00 34.51 N ATOM 165 CA MET A 11 -2.074 10.370 7.249 1.00 63.42 C ATOM 166 C MET A 11 -3.137 10.388 6.132 1.00 51.23 C ATOM 167 O MET A 11 -3.805 9.386 5.882 1.00 41.32 O ATOM 168 CB MET A 11 -0.763 9.758 6.728 1.00 54.52 C ATOM 169 CG MET A 11 -0.143 10.509 5.554 1.00 32.54 C ATOM 170 SD MET A 11 1.429 9.790 5.030 1.00 41.40 S ATOM 171 CE MET A 11 0.927 8.110 4.662 1.00 1.10 C ATOM 0 H MET A 11 -3.289 8.952 8.229 1.00 34.51 H new ATOM 0 HA MET A 11 -1.897 11.402 7.553 1.00 63.42 H new ATOM 0 HB2 MET A 11 -0.042 9.724 7.544 1.00 54.52 H new ATOM 0 HB3 MET A 11 -0.951 8.728 6.426 1.00 54.52 H new ATOM 0 HG2 MET A 11 -0.839 10.505 4.715 1.00 32.54 H new ATOM 0 HG3 MET A 11 0.012 11.551 5.834 1.00 32.54 H new ATOM 0 HE1 MET A 11 1.691 7.627 4.052 1.00 1.10 H new ATOM 0 HE2 MET A 11 0.802 7.556 5.592 1.00 1.10 H new ATOM 0 HE3 MET A 11 -0.017 8.123 4.118 1.00 1.10 H new ATOM 181 N LEU A 12 -3.284 11.537 5.468 1.00 60.51 N ATOM 182 CA LEU A 12 -4.285 11.705 4.403 1.00 33.32 C ATOM 183 C LEU A 12 -3.650 12.177 3.081 1.00 21.02 C ATOM 184 O LEU A 12 -2.997 13.218 3.029 1.00 24.52 O ATOM 185 CB LEU A 12 -5.351 12.717 4.849 1.00 25.14 C ATOM 186 CG LEU A 12 -6.208 12.285 6.051 1.00 43.24 C ATOM 187 CD1 LEU A 12 -7.077 13.439 6.542 1.00 20.03 C ATOM 188 CD2 LEU A 12 -7.072 11.080 5.684 1.00 24.43 C ATOM 0 H LEU A 12 -2.722 12.369 5.647 1.00 60.51 H new ATOM 0 HA LEU A 12 -4.741 10.731 4.224 1.00 33.32 H new ATOM 0 HB2 LEU A 12 -4.856 13.656 5.096 1.00 25.14 H new ATOM 0 HB3 LEU A 12 -6.012 12.918 4.006 1.00 25.14 H new ATOM 0 HG LEU A 12 -5.539 11.997 6.862 1.00 43.24 H new ATOM 0 HD11 LEU A 12 -7.674 13.109 7.392 1.00 20.03 H new ATOM 0 HD12 LEU A 12 -6.441 14.270 6.846 1.00 20.03 H new ATOM 0 HD13 LEU A 12 -7.738 13.764 5.739 1.00 20.03 H new ATOM 0 HD21 LEU A 12 -7.672 10.787 6.545 1.00 24.43 H new ATOM 0 HD22 LEU A 12 -7.730 11.343 4.856 1.00 24.43 H new ATOM 0 HD23 LEU A 12 -6.431 10.249 5.389 1.00 24.43 H new ATOM 200 N THR A 13 -3.865 11.408 2.010 1.00 43.50 N ATOM 201 CA THR A 13 -3.377 11.781 0.669 1.00 32.43 C ATOM 202 C THR A 13 -4.112 13.029 0.142 1.00 72.44 C ATOM 203 O THR A 13 -3.488 14.032 -0.205 1.00 22.34 O ATOM 204 CB THR A 13 -3.517 10.601 -0.340 1.00 51.24 C ATOM 205 OG1 THR A 13 -3.265 11.040 -1.681 1.00 52.21 O ATOM 206 CG2 THR A 13 -4.896 9.956 -0.268 1.00 21.55 C ATOM 0 H THR A 13 -4.372 10.524 2.040 1.00 43.50 H new ATOM 0 HA THR A 13 -2.317 12.017 0.763 1.00 32.43 H new ATOM 0 HB THR A 13 -2.773 9.856 -0.059 1.00 51.24 H new ATOM 0 HG1 THR A 13 -3.920 10.634 -2.287 1.00 52.21 H new ATOM 0 HG21 THR A 13 -4.953 9.138 -0.986 1.00 21.55 H new ATOM 0 HG22 THR A 13 -5.065 9.569 0.737 1.00 21.55 H new ATOM 0 HG23 THR A 13 -5.658 10.699 -0.503 1.00 21.55 H new ATOM 214 N LYS A 14 -5.443 12.964 0.103 1.00 73.40 N ATOM 215 CA LYS A 14 -6.290 14.125 -0.213 1.00 61.22 C ATOM 216 C LYS A 14 -7.174 14.470 0.997 1.00 23.34 C ATOM 217 O LYS A 14 -7.113 13.795 2.032 1.00 32.22 O ATOM 218 CB LYS A 14 -7.180 13.851 -1.445 1.00 60.11 C ATOM 219 CG LYS A 14 -6.477 13.951 -2.804 1.00 74.12 C ATOM 220 CD LYS A 14 -5.322 12.964 -2.939 1.00 0.54 C ATOM 221 CE LYS A 14 -4.979 12.681 -4.397 1.00 41.31 C ATOM 222 NZ LYS A 14 -6.123 12.053 -5.109 1.00 32.45 N ATOM 0 H LYS A 14 -5.968 12.109 0.288 1.00 73.40 H new ATOM 0 HA LYS A 14 -5.637 14.967 -0.444 1.00 61.22 H new ATOM 0 HB2 LYS A 14 -7.606 12.852 -1.349 1.00 60.11 H new ATOM 0 HB3 LYS A 14 -8.012 14.555 -1.434 1.00 60.11 H new ATOM 0 HG2 LYS A 14 -7.201 13.769 -3.598 1.00 74.12 H new ATOM 0 HG3 LYS A 14 -6.102 14.965 -2.941 1.00 74.12 H new ATOM 0 HD2 LYS A 14 -4.444 13.362 -2.431 1.00 0.54 H new ATOM 0 HD3 LYS A 14 -5.583 12.031 -2.440 1.00 0.54 H new ATOM 0 HE2 LYS A 14 -4.704 13.611 -4.895 1.00 41.31 H new ATOM 0 HE3 LYS A 14 -4.111 12.023 -4.448 1.00 41.31 H new ATOM 0 HZ1 LYS A 14 -5.776 11.276 -5.707 1.00 32.45 H new ATOM 0 HZ2 LYS A 14 -6.801 11.679 -4.415 1.00 32.45 H new ATOM 0 HZ3 LYS A 14 -6.594 12.764 -5.705 1.00 32.45 H new ATOM 236 N HIS A 15 -8.009 15.499 0.855 1.00 23.11 N ATOM 237 CA HIS A 15 -8.877 15.965 1.948 1.00 55.43 C ATOM 238 C HIS A 15 -9.742 14.831 2.526 1.00 14.45 C ATOM 239 O HIS A 15 -10.766 14.458 1.951 1.00 35.21 O ATOM 240 CB HIS A 15 -9.775 17.106 1.457 1.00 63.24 C ATOM 241 CG HIS A 15 -9.016 18.311 0.990 1.00 60.30 C ATOM 242 ND1 HIS A 15 -8.732 19.383 1.804 1.00 33.35 N ATOM 243 CD2 HIS A 15 -8.486 18.615 -0.220 1.00 71.02 C ATOM 244 CE1 HIS A 15 -8.068 20.291 1.122 1.00 72.31 C ATOM 245 NE2 HIS A 15 -7.904 19.851 -0.107 1.00 75.45 N ATOM 0 H HIS A 15 -8.106 16.032 -0.009 1.00 23.11 H new ATOM 0 HA HIS A 15 -8.228 16.324 2.747 1.00 55.43 H new ATOM 0 HB2 HIS A 15 -10.398 16.741 0.640 1.00 63.24 H new ATOM 0 HB3 HIS A 15 -10.447 17.401 2.263 1.00 63.24 H new ATOM 0 HD2 HIS A 15 -8.517 17.999 -1.107 1.00 71.02 H new ATOM 0 HE1 HIS A 15 -7.717 21.237 1.506 1.00 72.31 H new ATOM 0 HE2 HIS A 15 -7.422 20.349 -0.855 1.00 75.45 H new ATOM 254 N GLY A 16 -9.297 14.270 3.653 1.00 21.04 N ATOM 255 CA GLY A 16 -10.062 13.233 4.346 1.00 32.24 C ATOM 256 C GLY A 16 -10.272 11.958 3.526 1.00 73.54 C ATOM 257 O GLY A 16 -11.227 11.218 3.756 1.00 74.01 O ATOM 0 H GLY A 16 -8.415 14.516 4.103 1.00 21.04 H new ATOM 0 HA2 GLY A 16 -9.549 12.976 5.272 1.00 32.24 H new ATOM 0 HA3 GLY A 16 -11.035 13.638 4.623 1.00 32.24 H new ATOM 261 N LYS A 17 -9.378 11.694 2.570 1.00 20.10 N ATOM 262 CA LYS A 17 -9.513 10.518 1.694 1.00 10.24 C ATOM 263 C LYS A 17 -8.821 9.265 2.255 1.00 44.35 C ATOM 264 O LYS A 17 -9.351 8.162 2.126 1.00 13.12 O ATOM 265 CB LYS A 17 -8.973 10.831 0.288 1.00 54.42 C ATOM 266 CG LYS A 17 -9.885 11.729 -0.557 1.00 21.13 C ATOM 267 CD LYS A 17 -10.961 10.941 -1.316 1.00 21.20 C ATOM 268 CE LYS A 17 -11.997 10.310 -0.389 1.00 50.32 C ATOM 269 NZ LYS A 17 -13.065 9.609 -1.142 1.00 52.35 N ATOM 0 H LYS A 17 -8.558 12.270 2.380 1.00 20.10 H new ATOM 0 HA LYS A 17 -10.579 10.295 1.639 1.00 10.24 H new ATOM 0 HB2 LYS A 17 -7.999 11.312 0.385 1.00 54.42 H new ATOM 0 HB3 LYS A 17 -8.814 9.893 -0.244 1.00 54.42 H new ATOM 0 HG2 LYS A 17 -10.367 12.461 0.091 1.00 21.13 H new ATOM 0 HG3 LYS A 17 -9.278 12.286 -1.271 1.00 21.13 H new ATOM 0 HD2 LYS A 17 -11.465 11.606 -2.017 1.00 21.20 H new ATOM 0 HD3 LYS A 17 -10.484 10.159 -1.906 1.00 21.20 H new ATOM 0 HE2 LYS A 17 -11.503 9.605 0.280 1.00 50.32 H new ATOM 0 HE3 LYS A 17 -12.443 11.084 0.236 1.00 50.32 H new ATOM 0 HZ1 LYS A 17 -13.868 9.418 -0.509 1.00 52.35 H new ATOM 0 HZ2 LYS A 17 -13.381 10.206 -1.933 1.00 52.35 H new ATOM 0 HZ3 LYS A 17 -12.696 8.710 -1.513 1.00 52.35 H new ATOM 283 N ASN A 18 -7.648 9.440 2.875 1.00 4.03 N ATOM 284 CA ASN A 18 -6.839 8.304 3.358 1.00 63.55 C ATOM 285 C ASN A 18 -6.348 7.431 2.182 1.00 41.20 C ATOM 286 O ASN A 18 -7.151 6.809 1.483 1.00 13.54 O ATOM 287 CB ASN A 18 -7.639 7.462 4.370 1.00 34.53 C ATOM 288 CG ASN A 18 -6.887 6.232 4.856 1.00 64.33 C ATOM 289 OD1 ASN A 18 -5.663 6.204 4.887 1.00 4.32 O ATOM 290 ND2 ASN A 18 -7.622 5.209 5.249 1.00 21.40 N ATOM 0 H ASN A 18 -7.234 10.355 3.056 1.00 4.03 H new ATOM 0 HA ASN A 18 -5.961 8.705 3.864 1.00 63.55 H new ATOM 0 HB2 ASN A 18 -7.896 8.084 5.227 1.00 34.53 H new ATOM 0 HB3 ASN A 18 -8.576 7.148 3.911 1.00 34.53 H new ATOM 0 HD21 ASN A 18 -7.173 4.360 5.592 1.00 21.40 H new ATOM 0 HD22 ASN A 18 -8.640 5.267 5.209 1.00 21.40 H new ATOM 297 N PRO A 19 -5.015 7.360 1.957 1.00 11.14 N ATOM 298 CA PRO A 19 -4.438 6.676 0.780 1.00 1.05 C ATOM 299 C PRO A 19 -4.956 5.244 0.585 1.00 0.45 C ATOM 300 O PRO A 19 -5.137 4.793 -0.545 1.00 14.20 O ATOM 301 CB PRO A 19 -2.921 6.678 1.057 1.00 53.54 C ATOM 302 CG PRO A 19 -2.774 7.062 2.494 1.00 21.32 C ATOM 303 CD PRO A 19 -3.963 7.920 2.823 1.00 54.34 C ATOM 0 HA PRO A 19 -4.716 7.186 -0.142 1.00 1.05 H new ATOM 0 HB2 PRO A 19 -2.487 5.696 0.867 1.00 53.54 H new ATOM 0 HB3 PRO A 19 -2.405 7.385 0.408 1.00 53.54 H new ATOM 0 HG2 PRO A 19 -2.743 6.179 3.132 1.00 21.32 H new ATOM 0 HG3 PRO A 19 -1.844 7.606 2.658 1.00 21.32 H new ATOM 0 HD2 PRO A 19 -4.230 7.855 3.878 1.00 54.34 H new ATOM 0 HD3 PRO A 19 -3.776 8.972 2.605 1.00 54.34 H new ATOM 311 N VAL A 20 -5.205 4.537 1.685 1.00 31.22 N ATOM 312 CA VAL A 20 -5.736 3.173 1.616 1.00 2.31 C ATOM 313 C VAL A 20 -7.101 3.148 0.902 1.00 12.53 C ATOM 314 O VAL A 20 -7.277 2.475 -0.115 1.00 44.04 O ATOM 315 CB VAL A 20 -5.883 2.555 3.030 1.00 51.10 C ATOM 316 CG1 VAL A 20 -6.343 1.101 2.945 1.00 32.02 C ATOM 317 CG2 VAL A 20 -4.572 2.665 3.812 1.00 44.30 C ATOM 0 H VAL A 20 -5.049 4.882 2.632 1.00 31.22 H new ATOM 0 HA VAL A 20 -5.023 2.578 1.045 1.00 2.31 H new ATOM 0 HB VAL A 20 -6.646 3.120 3.566 1.00 51.10 H new ATOM 0 HG11 VAL A 20 -6.438 0.690 3.950 1.00 32.02 H new ATOM 0 HG12 VAL A 20 -7.308 1.054 2.440 1.00 32.02 H new ATOM 0 HG13 VAL A 20 -5.611 0.520 2.384 1.00 32.02 H new ATOM 0 HG21 VAL A 20 -4.700 2.225 4.801 1.00 44.30 H new ATOM 0 HG22 VAL A 20 -3.784 2.134 3.278 1.00 44.30 H new ATOM 0 HG23 VAL A 20 -4.297 3.715 3.915 1.00 44.30 H new ATOM 327 N MET A 21 -8.057 3.911 1.425 1.00 52.30 N ATOM 328 CA MET A 21 -9.414 3.945 0.861 1.00 21.22 C ATOM 329 C MET A 21 -9.430 4.570 -0.543 1.00 53.22 C ATOM 330 O MET A 21 -10.124 4.078 -1.437 1.00 42.04 O ATOM 331 CB MET A 21 -10.364 4.707 1.792 1.00 54.45 C ATOM 332 CG MET A 21 -10.489 4.086 3.177 1.00 33.44 C ATOM 333 SD MET A 21 -11.791 4.848 4.173 1.00 2.53 S ATOM 334 CE MET A 21 -11.281 6.566 4.181 1.00 22.33 C ATOM 0 H MET A 21 -7.923 4.515 2.236 1.00 52.30 H new ATOM 0 HA MET A 21 -9.757 2.914 0.770 1.00 21.22 H new ATOM 0 HB2 MET A 21 -10.013 5.734 1.894 1.00 54.45 H new ATOM 0 HB3 MET A 21 -11.351 4.751 1.332 1.00 54.45 H new ATOM 0 HG2 MET A 21 -10.693 3.020 3.075 1.00 33.44 H new ATOM 0 HG3 MET A 21 -9.537 4.180 3.699 1.00 33.44 H new ATOM 0 HE1 MET A 21 -12.021 7.163 4.714 1.00 22.33 H new ATOM 0 HE2 MET A 21 -10.315 6.657 4.678 1.00 22.33 H new ATOM 0 HE3 MET A 21 -11.196 6.925 3.155 1.00 22.33 H new ATOM 344 N GLU A 22 -8.664 5.645 -0.740 1.00 13.13 N ATOM 345 CA GLU A 22 -8.564 6.281 -2.060 1.00 43.20 C ATOM 346 C GLU A 22 -8.070 5.282 -3.116 1.00 41.23 C ATOM 347 O GLU A 22 -8.652 5.164 -4.196 1.00 51.12 O ATOM 348 CB GLU A 22 -7.635 7.506 -2.015 1.00 72.22 C ATOM 349 CG GLU A 22 -7.442 8.176 -3.377 1.00 31.11 C ATOM 350 CD GLU A 22 -6.755 9.529 -3.288 1.00 12.21 C ATOM 351 OE1 GLU A 22 -7.461 10.547 -3.134 1.00 74.41 O ATOM 352 OE2 GLU A 22 -5.510 9.587 -3.379 1.00 31.14 O ATOM 0 H GLU A 22 -8.108 6.092 -0.011 1.00 13.13 H new ATOM 0 HA GLU A 22 -9.563 6.616 -2.340 1.00 43.20 H new ATOM 0 HB2 GLU A 22 -8.042 8.235 -1.315 1.00 72.22 H new ATOM 0 HB3 GLU A 22 -6.663 7.201 -1.628 1.00 72.22 H new ATOM 0 HG2 GLU A 22 -6.854 7.519 -4.018 1.00 31.11 H new ATOM 0 HG3 GLU A 22 -8.414 8.300 -3.854 1.00 31.11 H new ATOM 359 N LEU A 23 -7.004 4.549 -2.789 1.00 60.20 N ATOM 360 CA LEU A 23 -6.478 3.508 -3.679 1.00 15.31 C ATOM 361 C LEU A 23 -7.564 2.473 -4.020 1.00 12.15 C ATOM 362 O LEU A 23 -7.671 2.027 -5.162 1.00 73.21 O ATOM 363 CB LEU A 23 -5.270 2.815 -3.033 1.00 1.14 C ATOM 364 CG LEU A 23 -4.549 1.783 -3.920 1.00 34.45 C ATOM 365 CD1 LEU A 23 -3.973 2.450 -5.172 1.00 63.51 C ATOM 366 CD2 LEU A 23 -3.451 1.074 -3.132 1.00 50.34 C ATOM 0 H LEU A 23 -6.487 4.656 -1.916 1.00 60.20 H new ATOM 0 HA LEU A 23 -6.159 3.985 -4.606 1.00 15.31 H new ATOM 0 HB2 LEU A 23 -4.551 3.578 -2.735 1.00 1.14 H new ATOM 0 HB3 LEU A 23 -5.602 2.317 -2.122 1.00 1.14 H new ATOM 0 HG LEU A 23 -5.278 1.038 -4.239 1.00 34.45 H new ATOM 0 HD11 LEU A 23 -3.468 1.702 -5.783 1.00 63.51 H new ATOM 0 HD12 LEU A 23 -4.780 2.904 -5.747 1.00 63.51 H new ATOM 0 HD13 LEU A 23 -3.260 3.220 -4.878 1.00 63.51 H new ATOM 0 HD21 LEU A 23 -2.952 0.348 -3.775 1.00 50.34 H new ATOM 0 HD22 LEU A 23 -2.725 1.807 -2.780 1.00 50.34 H new ATOM 0 HD23 LEU A 23 -3.891 0.560 -2.277 1.00 50.34 H new ATOM 378 N ASN A 24 -8.378 2.113 -3.024 1.00 54.02 N ATOM 379 CA ASN A 24 -9.505 1.189 -3.236 1.00 23.42 C ATOM 380 C ASN A 24 -10.564 1.773 -4.195 1.00 63.11 C ATOM 381 O ASN A 24 -11.299 1.027 -4.844 1.00 73.14 O ATOM 382 CB ASN A 24 -10.161 0.814 -1.897 1.00 22.23 C ATOM 383 CG ASN A 24 -9.423 -0.293 -1.159 1.00 75.45 C ATOM 384 OD1 ASN A 24 -9.703 -1.475 -1.343 1.00 11.54 O ATOM 385 ND2 ASN A 24 -8.490 0.073 -0.309 1.00 51.23 N ATOM 0 H ASN A 24 -8.282 2.444 -2.064 1.00 54.02 H new ATOM 0 HA ASN A 24 -9.096 0.291 -3.700 1.00 23.42 H new ATOM 0 HB2 ASN A 24 -10.206 1.698 -1.261 1.00 22.23 H new ATOM 0 HB3 ASN A 24 -11.189 0.499 -2.079 1.00 22.23 H new ATOM 0 HD21 ASN A 24 -7.976 -0.632 0.219 1.00 51.23 H new ATOM 0 HD22 ASN A 24 -8.280 1.062 -0.177 1.00 51.23 H new ATOM 392 N GLU A 25 -10.659 3.102 -4.270 1.00 12.14 N ATOM 393 CA GLU A 25 -11.578 3.757 -5.217 1.00 32.55 C ATOM 394 C GLU A 25 -10.932 3.913 -6.607 1.00 23.03 C ATOM 395 O GLU A 25 -11.619 3.883 -7.630 1.00 73.14 O ATOM 396 CB GLU A 25 -12.018 5.134 -4.688 1.00 31.23 C ATOM 397 CG GLU A 25 -12.743 5.083 -3.345 1.00 60.03 C ATOM 398 CD GLU A 25 -13.306 6.435 -2.926 1.00 53.25 C ATOM 399 OE1 GLU A 25 -12.516 7.367 -2.673 1.00 5.13 O ATOM 400 OE2 GLU A 25 -14.547 6.578 -2.843 1.00 74.43 O ATOM 0 H GLU A 25 -10.117 3.746 -3.693 1.00 12.14 H new ATOM 0 HA GLU A 25 -12.456 3.118 -5.315 1.00 32.55 H new ATOM 0 HB2 GLU A 25 -11.139 5.772 -4.590 1.00 31.23 H new ATOM 0 HB3 GLU A 25 -12.671 5.602 -5.424 1.00 31.23 H new ATOM 0 HG2 GLU A 25 -13.555 4.359 -3.403 1.00 60.03 H new ATOM 0 HG3 GLU A 25 -12.054 4.728 -2.579 1.00 60.03 H new ATOM 407 N LYS A 26 -9.609 4.078 -6.633 1.00 32.31 N ATOM 408 CA LYS A 26 -8.865 4.245 -7.891 1.00 71.53 C ATOM 409 C LYS A 26 -8.663 2.903 -8.620 1.00 3.35 C ATOM 410 O LYS A 26 -8.700 2.837 -9.852 1.00 52.20 O ATOM 411 CB LYS A 26 -7.502 4.898 -7.607 1.00 11.31 C ATOM 412 CG LYS A 26 -7.602 6.277 -6.955 1.00 55.23 C ATOM 413 CD LYS A 26 -8.325 7.285 -7.852 1.00 1.00 C ATOM 414 CE LYS A 26 -7.539 7.580 -9.127 1.00 35.20 C ATOM 415 NZ LYS A 26 -8.304 8.435 -10.071 1.00 30.13 N ATOM 0 H LYS A 26 -9.025 4.100 -5.797 1.00 32.31 H new ATOM 0 HA LYS A 26 -9.454 4.890 -8.543 1.00 71.53 H new ATOM 0 HB2 LYS A 26 -6.923 4.241 -6.958 1.00 11.31 H new ATOM 0 HB3 LYS A 26 -6.951 4.988 -8.543 1.00 11.31 H new ATOM 0 HG2 LYS A 26 -8.131 6.192 -6.006 1.00 55.23 H new ATOM 0 HG3 LYS A 26 -6.601 6.645 -6.730 1.00 55.23 H new ATOM 0 HD2 LYS A 26 -9.309 6.897 -8.114 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -8.484 8.212 -7.301 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -6.603 8.074 -8.869 1.00 35.20 H new ATOM 0 HE3 LYS A 26 -7.279 6.642 -9.617 1.00 35.20 H new ATOM 0 HZ1 LYS A 26 -7.733 8.610 -10.922 1.00 30.13 H new ATOM 0 HZ2 LYS A 26 -9.186 7.953 -10.339 1.00 30.13 H new ATOM 0 HZ3 LYS A 26 -8.530 9.341 -9.614 1.00 30.13 H new ATOM 429 N ARG A 27 -8.444 1.840 -7.852 1.00 61.12 N ATOM 430 CA ARG A 27 -8.256 0.489 -8.403 1.00 72.44 C ATOM 431 C ARG A 27 -9.007 -0.565 -7.579 1.00 33.22 C ATOM 432 O ARG A 27 -9.227 -0.398 -6.380 1.00 54.25 O ATOM 433 CB ARG A 27 -6.760 0.121 -8.462 1.00 25.33 C ATOM 434 CG ARG A 27 -6.024 0.638 -9.698 1.00 41.33 C ATOM 435 CD ARG A 27 -6.661 0.126 -10.989 1.00 43.30 C ATOM 436 NE ARG A 27 -5.740 0.174 -12.124 1.00 62.25 N ATOM 437 CZ ARG A 27 -5.654 1.155 -12.974 1.00 54.44 C ATOM 438 NH1 ARG A 27 -6.362 2.229 -12.822 1.00 10.42 N ATOM 439 NH2 ARG A 27 -4.847 1.051 -13.979 1.00 3.35 N ATOM 0 H ARG A 27 -8.391 1.883 -6.834 1.00 61.12 H new ATOM 0 HA ARG A 27 -8.665 0.497 -9.414 1.00 72.44 H new ATOM 0 HB2 ARG A 27 -6.268 0.513 -7.572 1.00 25.33 H new ATOM 0 HB3 ARG A 27 -6.665 -0.964 -8.427 1.00 25.33 H new ATOM 0 HG2 ARG A 27 -6.030 1.728 -9.696 1.00 41.33 H new ATOM 0 HG3 ARG A 27 -4.981 0.325 -9.658 1.00 41.33 H new ATOM 0 HD2 ARG A 27 -6.999 -0.900 -10.842 1.00 43.30 H new ATOM 0 HD3 ARG A 27 -7.544 0.723 -11.216 1.00 43.30 H new ATOM 0 HE ARG A 27 -5.118 -0.623 -12.259 1.00 62.25 H new ATOM 0 HH11 ARG A 27 -6.997 2.313 -12.028 1.00 10.42 H new ATOM 0 HH12 ARG A 27 -6.285 2.991 -13.496 1.00 10.42 H new ATOM 0 HH21 ARG A 27 -4.287 0.207 -14.098 1.00 3.35 H new ATOM 0 HH22 ARG A 27 -4.770 1.813 -14.653 1.00 3.35 H new ATOM 453 N ARG A 28 -9.394 -1.654 -8.237 1.00 53.33 N ATOM 454 CA ARG A 28 -10.046 -2.781 -7.563 1.00 75.31 C ATOM 455 C ARG A 28 -9.200 -4.059 -7.702 1.00 70.42 C ATOM 456 O ARG A 28 -8.182 -4.065 -8.397 1.00 13.22 O ATOM 457 CB ARG A 28 -11.450 -3.009 -8.141 1.00 42.11 C ATOM 458 CG ARG A 28 -12.363 -1.785 -8.081 1.00 33.33 C ATOM 459 CD ARG A 28 -12.523 -1.259 -6.657 1.00 43.11 C ATOM 460 NE ARG A 28 -13.015 -2.284 -5.740 1.00 45.33 N ATOM 461 CZ ARG A 28 -12.993 -2.178 -4.439 1.00 51.32 C ATOM 462 NH1 ARG A 28 -12.506 -1.121 -3.867 1.00 5.53 N ATOM 463 NH2 ARG A 28 -13.444 -3.143 -3.712 1.00 22.11 N ATOM 0 H ARG A 28 -9.268 -1.783 -9.241 1.00 53.33 H new ATOM 0 HA ARG A 28 -10.137 -2.541 -6.504 1.00 75.31 H new ATOM 0 HB2 ARG A 28 -11.355 -3.326 -9.180 1.00 42.11 H new ATOM 0 HB3 ARG A 28 -11.924 -3.828 -7.600 1.00 42.11 H new ATOM 0 HG2 ARG A 28 -11.955 -0.997 -8.715 1.00 33.33 H new ATOM 0 HG3 ARG A 28 -13.342 -2.043 -8.484 1.00 33.33 H new ATOM 0 HD2 ARG A 28 -11.563 -0.885 -6.300 1.00 43.11 H new ATOM 0 HD3 ARG A 28 -13.213 -0.415 -6.659 1.00 43.11 H new ATOM 0 HE ARG A 28 -13.401 -3.138 -6.142 1.00 45.33 H new ATOM 0 HH11 ARG A 28 -12.134 -0.360 -4.435 1.00 5.53 H new ATOM 0 HH12 ARG A 28 -12.495 -1.051 -2.849 1.00 5.53 H new ATOM 0 HH21 ARG A 28 -13.816 -3.984 -4.154 1.00 22.11 H new ATOM 0 HH22 ARG A 28 -13.429 -3.065 -2.695 1.00 22.11 H new ATOM 477 N GLY A 29 -9.623 -5.139 -7.045 1.00 24.20 N ATOM 478 CA GLY A 29 -8.852 -6.380 -7.072 1.00 5.44 C ATOM 479 C GLY A 29 -7.521 -6.263 -6.328 1.00 74.23 C ATOM 480 O GLY A 29 -6.526 -6.891 -6.704 1.00 53.15 O ATOM 0 H GLY A 29 -10.482 -5.180 -6.496 1.00 24.20 H new ATOM 0 HA2 GLY A 29 -9.443 -7.180 -6.627 1.00 5.44 H new ATOM 0 HA3 GLY A 29 -8.661 -6.662 -8.107 1.00 5.44 H new ATOM 484 N LEU A 30 -7.514 -5.465 -5.260 1.00 31.34 N ATOM 485 CA LEU A 30 -6.296 -5.194 -4.485 1.00 63.42 C ATOM 486 C LEU A 30 -6.019 -6.294 -3.445 1.00 21.03 C ATOM 487 O LEU A 30 -6.897 -7.089 -3.109 1.00 11.11 O ATOM 488 CB LEU A 30 -6.420 -3.837 -3.772 1.00 34.20 C ATOM 489 CG LEU A 30 -6.754 -2.640 -4.676 1.00 24.04 C ATOM 490 CD1 LEU A 30 -6.842 -1.356 -3.856 1.00 25.22 C ATOM 491 CD2 LEU A 30 -5.722 -2.497 -5.792 1.00 20.22 C ATOM 0 H LEU A 30 -8.345 -4.990 -4.907 1.00 31.34 H new ATOM 0 HA LEU A 30 -5.461 -5.175 -5.185 1.00 63.42 H new ATOM 0 HB2 LEU A 30 -7.192 -3.918 -3.007 1.00 34.20 H new ATOM 0 HB3 LEU A 30 -5.482 -3.630 -3.257 1.00 34.20 H new ATOM 0 HG LEU A 30 -7.726 -2.822 -5.135 1.00 24.04 H new ATOM 0 HD11 LEU A 30 -7.079 -0.520 -4.514 1.00 25.22 H new ATOM 0 HD12 LEU A 30 -7.623 -1.458 -3.103 1.00 25.22 H new ATOM 0 HD13 LEU A 30 -5.886 -1.172 -3.365 1.00 25.22 H new ATOM 0 HD21 LEU A 30 -5.980 -1.643 -6.419 1.00 20.22 H new ATOM 0 HD22 LEU A 30 -4.735 -2.343 -5.357 1.00 20.22 H new ATOM 0 HD23 LEU A 30 -5.714 -3.403 -6.398 1.00 20.22 H new ATOM 503 N LYS A 31 -4.791 -6.321 -2.931 1.00 75.24 N ATOM 504 CA LYS A 31 -4.394 -7.283 -1.894 1.00 42.44 C ATOM 505 C LYS A 31 -3.385 -6.658 -0.918 1.00 33.31 C ATOM 506 O LYS A 31 -2.247 -6.386 -1.288 1.00 74.52 O ATOM 507 CB LYS A 31 -3.797 -8.544 -2.539 1.00 3.34 C ATOM 508 CG LYS A 31 -3.272 -9.564 -1.531 1.00 32.05 C ATOM 509 CD LYS A 31 -2.695 -10.812 -2.206 1.00 1.22 C ATOM 510 CE LYS A 31 -3.764 -11.648 -2.914 1.00 14.54 C ATOM 511 NZ LYS A 31 -4.253 -11.021 -4.177 1.00 45.40 N ATOM 0 H LYS A 31 -4.046 -5.685 -3.215 1.00 75.24 H new ATOM 0 HA LYS A 31 -5.285 -7.560 -1.330 1.00 42.44 H new ATOM 0 HB2 LYS A 31 -4.558 -9.018 -3.159 1.00 3.34 H new ATOM 0 HB3 LYS A 31 -2.983 -8.251 -3.202 1.00 3.34 H new ATOM 0 HG2 LYS A 31 -2.502 -9.099 -0.916 1.00 32.05 H new ATOM 0 HG3 LYS A 31 -4.080 -9.858 -0.862 1.00 32.05 H new ATOM 0 HD2 LYS A 31 -1.937 -10.511 -2.929 1.00 1.22 H new ATOM 0 HD3 LYS A 31 -2.195 -11.427 -1.457 1.00 1.22 H new ATOM 0 HE2 LYS A 31 -3.357 -12.634 -3.138 1.00 14.54 H new ATOM 0 HE3 LYS A 31 -4.607 -11.797 -2.239 1.00 14.54 H new ATOM 0 HZ1 LYS A 31 -4.350 -11.751 -4.912 1.00 45.40 H new ATOM 0 HZ2 LYS A 31 -5.177 -10.575 -4.008 1.00 45.40 H new ATOM 0 HZ3 LYS A 31 -3.573 -10.300 -4.493 1.00 45.40 H new ATOM 525 N TYR A 32 -3.814 -6.420 0.321 1.00 33.41 N ATOM 526 CA TYR A 32 -2.948 -5.822 1.353 1.00 54.11 C ATOM 527 C TYR A 32 -2.433 -6.882 2.347 1.00 51.40 C ATOM 528 O TYR A 32 -3.193 -7.368 3.190 1.00 73.20 O ATOM 529 CB TYR A 32 -3.717 -4.745 2.140 1.00 71.22 C ATOM 530 CG TYR A 32 -4.143 -3.531 1.332 1.00 55.32 C ATOM 531 CD1 TYR A 32 -5.239 -3.583 0.476 1.00 32.31 C ATOM 532 CD2 TYR A 32 -3.459 -2.324 1.444 1.00 14.23 C ATOM 533 CE1 TYR A 32 -5.636 -2.472 -0.245 1.00 23.51 C ATOM 534 CE2 TYR A 32 -3.853 -1.209 0.730 1.00 72.43 C ATOM 535 CZ TYR A 32 -4.941 -1.288 -0.113 1.00 4.34 C ATOM 536 OH TYR A 32 -5.336 -0.180 -0.828 1.00 3.33 O ATOM 0 H TYR A 32 -4.759 -6.631 0.642 1.00 33.41 H new ATOM 0 HA TYR A 32 -2.097 -5.377 0.838 1.00 54.11 H new ATOM 0 HB2 TYR A 32 -4.606 -5.202 2.575 1.00 71.22 H new ATOM 0 HB3 TYR A 32 -3.093 -4.409 2.968 1.00 71.22 H new ATOM 0 HD1 TYR A 32 -5.789 -4.507 0.373 1.00 32.31 H new ATOM 0 HD2 TYR A 32 -2.605 -2.258 2.101 1.00 14.23 H new ATOM 0 HE1 TYR A 32 -6.486 -2.531 -0.908 1.00 23.51 H new ATOM 0 HE2 TYR A 32 -3.311 -0.280 0.832 1.00 72.43 H new ATOM 0 HH TYR A 32 -5.112 0.631 -0.325 1.00 3.33 H new ATOM 546 N GLU A 33 -1.146 -7.233 2.269 1.00 32.11 N ATOM 547 CA GLU A 33 -0.557 -8.188 3.225 1.00 43.24 C ATOM 548 C GLU A 33 0.691 -7.620 3.926 1.00 75.24 C ATOM 549 O GLU A 33 1.235 -6.587 3.530 1.00 54.24 O ATOM 550 CB GLU A 33 -0.212 -9.514 2.530 1.00 71.24 C ATOM 551 CG GLU A 33 0.904 -9.411 1.496 1.00 32.23 C ATOM 552 CD GLU A 33 1.253 -10.760 0.884 1.00 63.10 C ATOM 553 OE1 GLU A 33 0.551 -11.200 -0.052 1.00 15.34 O ATOM 554 OE2 GLU A 33 2.224 -11.400 1.354 1.00 30.31 O ATOM 0 H GLU A 33 -0.497 -6.879 1.567 1.00 32.11 H new ATOM 0 HA GLU A 33 -1.311 -8.370 3.991 1.00 43.24 H new ATOM 0 HB2 GLU A 33 0.077 -10.243 3.287 1.00 71.24 H new ATOM 0 HB3 GLU A 33 -1.108 -9.899 2.043 1.00 71.24 H new ATOM 0 HG2 GLU A 33 0.601 -8.724 0.706 1.00 32.23 H new ATOM 0 HG3 GLU A 33 1.792 -8.987 1.965 1.00 32.23 H new ATOM 561 N LEU A 34 1.133 -8.310 4.978 1.00 0.25 N ATOM 562 CA LEU A 34 2.296 -7.884 5.773 1.00 40.41 C ATOM 563 C LEU A 34 3.606 -8.472 5.228 1.00 32.34 C ATOM 564 O LEU A 34 3.661 -9.636 4.816 1.00 24.41 O ATOM 565 CB LEU A 34 2.119 -8.309 7.241 1.00 35.13 C ATOM 566 CG LEU A 34 3.315 -8.009 8.168 1.00 14.44 C ATOM 567 CD1 LEU A 34 3.547 -6.506 8.295 1.00 54.04 C ATOM 568 CD2 LEU A 34 3.108 -8.643 9.540 1.00 24.32 C ATOM 0 H LEU A 34 0.702 -9.175 5.305 1.00 0.25 H new ATOM 0 HA LEU A 34 2.356 -6.798 5.705 1.00 40.41 H new ATOM 0 HB2 LEU A 34 1.237 -7.810 7.642 1.00 35.13 H new ATOM 0 HB3 LEU A 34 1.919 -9.380 7.269 1.00 35.13 H new ATOM 0 HG LEU A 34 4.206 -8.449 7.720 1.00 14.44 H new ATOM 0 HD11 LEU A 34 4.396 -6.323 8.954 1.00 54.04 H new ATOM 0 HD12 LEU A 34 3.754 -6.085 7.311 1.00 54.04 H new ATOM 0 HD13 LEU A 34 2.657 -6.034 8.711 1.00 54.04 H new ATOM 0 HD21 LEU A 34 3.963 -8.419 10.177 1.00 24.32 H new ATOM 0 HD22 LEU A 34 2.202 -8.241 9.994 1.00 24.32 H new ATOM 0 HD23 LEU A 34 3.010 -9.723 9.431 1.00 24.32 H new ATOM 580 N ILE A 35 4.666 -7.664 5.234 1.00 51.32 N ATOM 581 CA ILE A 35 5.995 -8.127 4.822 1.00 32.53 C ATOM 582 C ILE A 35 6.952 -8.210 6.026 1.00 53.02 C ATOM 583 O ILE A 35 7.378 -9.298 6.416 1.00 14.11 O ATOM 584 CB ILE A 35 6.608 -7.207 3.733 1.00 21.31 C ATOM 585 CG1 ILE A 35 5.655 -7.086 2.531 1.00 10.21 C ATOM 586 CG2 ILE A 35 7.971 -7.733 3.289 1.00 64.31 C ATOM 587 CD1 ILE A 35 5.332 -8.407 1.858 1.00 10.12 C ATOM 0 H ILE A 35 4.632 -6.685 5.519 1.00 51.32 H new ATOM 0 HA ILE A 35 5.867 -9.124 4.401 1.00 32.53 H new ATOM 0 HB ILE A 35 6.749 -6.214 4.161 1.00 21.31 H new ATOM 0 HG12 ILE A 35 4.726 -6.624 2.864 1.00 10.21 H new ATOM 0 HG13 ILE A 35 6.099 -6.415 1.795 1.00 10.21 H new ATOM 0 HG21 ILE A 35 8.384 -7.074 2.525 1.00 64.31 H new ATOM 0 HG22 ILE A 35 8.645 -7.764 4.145 1.00 64.31 H new ATOM 0 HG23 ILE A 35 7.858 -8.737 2.880 1.00 64.31 H new ATOM 0 HD11 ILE A 35 4.655 -8.233 1.021 1.00 10.12 H new ATOM 0 HD12 ILE A 35 6.252 -8.863 1.492 1.00 10.12 H new ATOM 0 HD13 ILE A 35 4.857 -9.075 2.577 1.00 10.12 H new ATOM 599 N SER A 36 7.262 -7.062 6.633 1.00 64.31 N ATOM 600 CA SER A 36 8.213 -7.013 7.762 1.00 33.35 C ATOM 601 C SER A 36 7.588 -6.390 9.020 1.00 53.10 C ATOM 602 O SER A 36 6.641 -5.603 8.935 1.00 63.30 O ATOM 603 CB SER A 36 9.471 -6.229 7.374 1.00 12.41 C ATOM 604 OG SER A 36 10.387 -6.168 8.456 1.00 34.14 O ATOM 0 H SER A 36 6.875 -6.156 6.369 1.00 64.31 H new ATOM 0 HA SER A 36 8.481 -8.044 7.994 1.00 33.35 H new ATOM 0 HB2 SER A 36 9.948 -6.702 6.516 1.00 12.41 H new ATOM 0 HB3 SER A 36 9.195 -5.219 7.069 1.00 12.41 H new ATOM 0 HG SER A 36 11.182 -5.664 8.183 1.00 34.14 H new ATOM 610 N GLU A 37 8.152 -6.729 10.183 1.00 32.31 N ATOM 611 CA GLU A 37 7.603 -6.306 11.479 1.00 52.02 C ATOM 612 C GLU A 37 8.741 -6.152 12.512 1.00 0.15 C ATOM 613 O GLU A 37 9.381 -7.139 12.891 1.00 74.13 O ATOM 614 CB GLU A 37 6.573 -7.353 11.950 1.00 10.31 C ATOM 615 CG GLU A 37 5.563 -6.858 12.988 1.00 62.35 C ATOM 616 CD GLU A 37 6.151 -6.617 14.371 1.00 12.31 C ATOM 617 OE1 GLU A 37 6.917 -7.472 14.860 1.00 5.21 O ATOM 618 OE2 GLU A 37 5.817 -5.585 14.993 1.00 63.52 O ATOM 0 H GLU A 37 8.995 -7.299 10.255 1.00 32.31 H new ATOM 0 HA GLU A 37 7.110 -5.339 11.376 1.00 52.02 H new ATOM 0 HB2 GLU A 37 6.026 -7.717 11.080 1.00 10.31 H new ATOM 0 HB3 GLU A 37 7.110 -8.204 12.368 1.00 10.31 H new ATOM 0 HG2 GLU A 37 5.117 -5.930 12.629 1.00 62.35 H new ATOM 0 HG3 GLU A 37 4.758 -7.588 13.071 1.00 62.35 H new ATOM 625 N THR A 38 8.993 -4.918 12.959 1.00 34.33 N ATOM 626 CA THR A 38 10.122 -4.633 13.867 1.00 2.23 C ATOM 627 C THR A 38 9.728 -3.681 15.013 1.00 33.12 C ATOM 628 O THR A 38 8.897 -2.788 14.835 1.00 5.52 O ATOM 629 CB THR A 38 11.314 -4.006 13.092 1.00 25.15 C ATOM 630 OG1 THR A 38 11.764 -4.898 12.063 1.00 3.15 O ATOM 631 CG2 THR A 38 12.481 -3.682 14.023 1.00 50.32 C ATOM 0 H THR A 38 8.437 -4.100 12.712 1.00 34.33 H new ATOM 0 HA THR A 38 10.415 -5.592 14.295 1.00 2.23 H new ATOM 0 HB THR A 38 10.959 -3.077 12.646 1.00 25.15 H new ATOM 0 HG1 THR A 38 12.514 -4.490 11.582 1.00 3.15 H new ATOM 0 HG21 THR A 38 13.296 -3.245 13.446 1.00 50.32 H new ATOM 0 HG22 THR A 38 12.154 -2.973 14.783 1.00 50.32 H new ATOM 0 HG23 THR A 38 12.827 -4.597 14.505 1.00 50.32 H new ATOM 639 N GLY A 39 10.331 -3.882 16.192 1.00 60.23 N ATOM 640 CA GLY A 39 10.099 -2.991 17.327 1.00 72.51 C ATOM 641 C GLY A 39 10.655 -3.532 18.645 1.00 33.20 C ATOM 642 O GLY A 39 11.833 -3.888 18.735 1.00 54.45 O ATOM 0 H GLY A 39 10.977 -4.648 16.380 1.00 60.23 H new ATOM 0 HA2 GLY A 39 10.554 -2.023 17.119 1.00 72.51 H new ATOM 0 HA3 GLY A 39 9.027 -2.823 17.435 1.00 72.51 H new ATOM 646 N GLY A 40 9.812 -3.584 19.677 1.00 61.11 N ATOM 647 CA GLY A 40 10.229 -4.121 20.970 1.00 52.42 C ATOM 648 C GLY A 40 11.144 -3.177 21.747 1.00 24.25 C ATOM 649 O GLY A 40 10.678 -2.370 22.553 1.00 22.15 O ATOM 0 H GLY A 40 8.844 -3.263 19.643 1.00 61.11 H new ATOM 0 HA2 GLY A 40 9.344 -4.334 21.570 1.00 52.42 H new ATOM 0 HA3 GLY A 40 10.744 -5.069 20.813 1.00 52.42 H new ATOM 653 N SER A 41 12.451 -3.274 21.500 1.00 22.41 N ATOM 654 CA SER A 41 13.443 -2.412 22.169 1.00 73.42 C ATOM 655 C SER A 41 13.375 -0.972 21.637 1.00 43.44 C ATOM 656 O SER A 41 13.763 -0.019 22.319 1.00 71.11 O ATOM 657 CB SER A 41 14.862 -2.968 21.961 1.00 33.11 C ATOM 658 OG SER A 41 14.970 -4.303 22.436 1.00 30.41 O ATOM 0 H SER A 41 12.854 -3.940 20.841 1.00 22.41 H new ATOM 0 HA SER A 41 13.209 -2.402 23.234 1.00 73.42 H new ATOM 0 HB2 SER A 41 15.116 -2.935 20.901 1.00 33.11 H new ATOM 0 HB3 SER A 41 15.582 -2.336 22.481 1.00 33.11 H new ATOM 0 HG SER A 41 15.882 -4.630 22.289 1.00 30.41 H new ATOM 664 N HIS A 42 12.870 -0.826 20.414 1.00 4.43 N ATOM 665 CA HIS A 42 12.750 0.483 19.764 1.00 1.01 C ATOM 666 C HIS A 42 11.310 0.739 19.290 1.00 3.31 C ATOM 667 O HIS A 42 10.497 -0.185 19.216 1.00 53.31 O ATOM 668 CB HIS A 42 13.722 0.561 18.574 1.00 74.14 C ATOM 669 CG HIS A 42 13.684 1.869 17.846 1.00 71.35 C ATOM 670 ND1 HIS A 42 12.948 2.072 16.698 1.00 21.24 N ATOM 671 CD2 HIS A 42 14.283 3.053 18.115 1.00 34.21 C ATOM 672 CE1 HIS A 42 13.093 3.316 16.295 1.00 70.12 C ATOM 673 NE2 HIS A 42 13.895 3.932 17.137 1.00 12.14 N ATOM 0 H HIS A 42 12.534 -1.604 19.847 1.00 4.43 H new ATOM 0 HA HIS A 42 13.004 1.253 20.492 1.00 1.01 H new ATOM 0 HB2 HIS A 42 14.736 0.385 18.933 1.00 74.14 H new ATOM 0 HB3 HIS A 42 13.489 -0.241 17.873 1.00 74.14 H new ATOM 0 HD1 HIS A 42 12.378 1.366 16.232 1.00 21.24 H new ATOM 0 HD2 HIS A 42 14.942 3.265 18.944 1.00 34.21 H new ATOM 0 HE1 HIS A 42 12.633 3.756 15.423 1.00 70.12 H new ATOM 682 N ASP A 43 10.998 2.004 18.990 1.00 15.23 N ATOM 683 CA ASP A 43 9.702 2.381 18.412 1.00 41.03 C ATOM 684 C ASP A 43 9.360 1.500 17.193 1.00 2.14 C ATOM 685 O ASP A 43 10.245 1.093 16.436 1.00 44.10 O ATOM 686 CB ASP A 43 9.732 3.858 18.010 1.00 64.40 C ATOM 687 CG ASP A 43 10.243 4.744 19.133 1.00 42.04 C ATOM 688 OD1 ASP A 43 11.481 4.865 19.279 1.00 2.45 O ATOM 689 OD2 ASP A 43 9.421 5.310 19.881 1.00 65.01 O ATOM 0 H ASP A 43 11.630 2.790 19.139 1.00 15.23 H new ATOM 0 HA ASP A 43 8.927 2.225 19.163 1.00 41.03 H new ATOM 0 HB2 ASP A 43 10.367 3.982 17.133 1.00 64.40 H new ATOM 0 HB3 ASP A 43 8.729 4.176 17.725 1.00 64.40 H new ATOM 694 N LYS A 44 8.073 1.223 17.006 1.00 54.34 N ATOM 695 CA LYS A 44 7.627 0.243 16.006 1.00 72.21 C ATOM 696 C LYS A 44 7.840 0.709 14.552 1.00 44.24 C ATOM 697 O LYS A 44 7.746 1.898 14.238 1.00 60.14 O ATOM 698 CB LYS A 44 6.142 -0.091 16.221 1.00 63.24 C ATOM 699 CG LYS A 44 5.823 -0.683 17.593 1.00 42.42 C ATOM 700 CD LYS A 44 6.650 -1.937 17.890 1.00 61.14 C ATOM 701 CE LYS A 44 6.454 -3.028 16.834 1.00 44.43 C ATOM 702 NZ LYS A 44 5.100 -3.637 16.884 1.00 14.10 N ATOM 0 H LYS A 44 7.316 1.661 17.531 1.00 54.34 H new ATOM 0 HA LYS A 44 8.245 -0.643 16.151 1.00 72.21 H new ATOM 0 HB2 LYS A 44 5.554 0.817 16.084 1.00 63.24 H new ATOM 0 HB3 LYS A 44 5.825 -0.795 15.452 1.00 63.24 H new ATOM 0 HG2 LYS A 44 6.013 0.065 18.362 1.00 42.42 H new ATOM 0 HG3 LYS A 44 4.762 -0.929 17.642 1.00 42.42 H new ATOM 0 HD2 LYS A 44 7.705 -1.669 17.941 1.00 61.14 H new ATOM 0 HD3 LYS A 44 6.373 -2.328 18.869 1.00 61.14 H new ATOM 0 HE2 LYS A 44 6.621 -2.604 15.844 1.00 44.43 H new ATOM 0 HE3 LYS A 44 7.204 -3.806 16.978 1.00 44.43 H new ATOM 0 HZ1 LYS A 44 5.140 -4.604 16.503 1.00 14.10 H new ATOM 0 HZ2 LYS A 44 4.769 -3.667 17.869 1.00 14.10 H new ATOM 0 HZ3 LYS A 44 4.442 -3.067 16.315 1.00 14.10 H new ATOM 716 N ARG A 45 8.125 -0.259 13.680 1.00 61.33 N ATOM 717 CA ARG A 45 8.178 -0.041 12.228 1.00 23.02 C ATOM 718 C ARG A 45 7.601 -1.257 11.480 1.00 65.14 C ATOM 719 O ARG A 45 8.023 -2.393 11.700 1.00 14.30 O ATOM 720 CB ARG A 45 9.618 0.223 11.748 1.00 51.44 C ATOM 721 CG ARG A 45 9.752 0.256 10.222 1.00 13.03 C ATOM 722 CD ARG A 45 11.175 0.571 9.764 1.00 32.04 C ATOM 723 NE ARG A 45 11.527 1.979 9.963 1.00 11.23 N ATOM 724 CZ ARG A 45 12.421 2.618 9.250 1.00 63.14 C ATOM 725 NH1 ARG A 45 13.056 2.017 8.296 1.00 60.24 N ATOM 726 NH2 ARG A 45 12.666 3.866 9.484 1.00 74.11 N ATOM 0 H ARG A 45 8.326 -1.219 13.958 1.00 61.33 H new ATOM 0 HA ARG A 45 7.576 0.841 12.008 1.00 23.02 H new ATOM 0 HB2 ARG A 45 9.961 1.174 12.156 1.00 51.44 H new ATOM 0 HB3 ARG A 45 10.274 -0.551 12.147 1.00 51.44 H new ATOM 0 HG2 ARG A 45 9.448 -0.708 9.813 1.00 13.03 H new ATOM 0 HG3 ARG A 45 9.070 1.004 9.817 1.00 13.03 H new ATOM 0 HD2 ARG A 45 11.877 -0.057 10.312 1.00 32.04 H new ATOM 0 HD3 ARG A 45 11.278 0.319 8.709 1.00 32.04 H new ATOM 0 HE ARG A 45 11.047 2.493 10.702 1.00 11.23 H new ATOM 0 HH11 ARG A 45 12.862 1.036 8.093 1.00 60.24 H new ATOM 0 HH12 ARG A 45 13.750 2.524 7.747 1.00 60.24 H new ATOM 0 HH21 ARG A 45 12.163 4.354 10.225 1.00 74.11 H new ATOM 0 HH22 ARG A 45 13.362 4.362 8.928 1.00 74.11 H new ATOM 740 N PHE A 46 6.637 -1.007 10.598 1.00 55.15 N ATOM 741 CA PHE A 46 5.993 -2.067 9.813 1.00 70.42 C ATOM 742 C PHE A 46 6.187 -1.842 8.308 1.00 61.42 C ATOM 743 O PHE A 46 6.135 -0.708 7.828 1.00 15.03 O ATOM 744 CB PHE A 46 4.489 -2.128 10.126 1.00 43.50 C ATOM 745 CG PHE A 46 4.170 -2.535 11.541 1.00 63.30 C ATOM 746 CD1 PHE A 46 4.352 -1.648 12.594 1.00 4.41 C ATOM 747 CD2 PHE A 46 3.688 -3.806 11.820 1.00 43.24 C ATOM 748 CE1 PHE A 46 4.061 -2.020 13.889 1.00 72.42 C ATOM 749 CE2 PHE A 46 3.396 -4.180 13.115 1.00 32.01 C ATOM 750 CZ PHE A 46 3.582 -3.287 14.151 1.00 34.42 C ATOM 0 H PHE A 46 6.279 -0.072 10.405 1.00 55.15 H new ATOM 0 HA PHE A 46 6.463 -3.011 10.089 1.00 70.42 H new ATOM 0 HB2 PHE A 46 4.049 -1.150 9.933 1.00 43.50 H new ATOM 0 HB3 PHE A 46 4.015 -2.831 9.442 1.00 43.50 H new ATOM 0 HD1 PHE A 46 4.726 -0.654 12.396 1.00 4.41 H new ATOM 0 HD2 PHE A 46 3.540 -4.510 11.014 1.00 43.24 H new ATOM 0 HE1 PHE A 46 4.208 -1.320 14.698 1.00 72.42 H new ATOM 0 HE2 PHE A 46 3.022 -5.172 13.319 1.00 32.01 H new ATOM 0 HZ PHE A 46 3.353 -3.580 15.165 1.00 34.42 H new ATOM 760 N VAL A 47 6.413 -2.927 7.572 1.00 71.11 N ATOM 761 CA VAL A 47 6.506 -2.873 6.108 1.00 73.52 C ATOM 762 C VAL A 47 5.377 -3.693 5.471 1.00 52.35 C ATOM 763 O VAL A 47 5.342 -4.922 5.592 1.00 31.12 O ATOM 764 CB VAL A 47 7.875 -3.396 5.596 1.00 53.33 C ATOM 765 CG1 VAL A 47 7.951 -3.334 4.067 1.00 70.14 C ATOM 766 CG2 VAL A 47 9.028 -2.613 6.228 1.00 11.15 C ATOM 0 H VAL A 47 6.536 -3.861 7.964 1.00 71.11 H new ATOM 0 HA VAL A 47 6.411 -1.827 5.817 1.00 73.52 H new ATOM 0 HB VAL A 47 7.968 -4.440 5.896 1.00 53.33 H new ATOM 0 HG11 VAL A 47 8.920 -3.706 3.736 1.00 70.14 H new ATOM 0 HG12 VAL A 47 7.160 -3.949 3.638 1.00 70.14 H new ATOM 0 HG13 VAL A 47 7.827 -2.302 3.738 1.00 70.14 H new ATOM 0 HG21 VAL A 47 9.977 -2.997 5.854 1.00 11.15 H new ATOM 0 HG22 VAL A 47 8.936 -1.558 5.969 1.00 11.15 H new ATOM 0 HG23 VAL A 47 8.993 -2.725 7.312 1.00 11.15 H new ATOM 776 N MET A 48 4.456 -3.009 4.800 1.00 72.15 N ATOM 777 CA MET A 48 3.291 -3.657 4.183 1.00 60.55 C ATOM 778 C MET A 48 3.387 -3.615 2.652 1.00 14.11 C ATOM 779 O MET A 48 4.080 -2.766 2.088 1.00 14.21 O ATOM 780 CB MET A 48 2.003 -2.960 4.647 1.00 41.34 C ATOM 781 CG MET A 48 1.839 -2.919 6.164 1.00 31.15 C ATOM 782 SD MET A 48 1.537 -4.540 6.888 1.00 63.03 S ATOM 783 CE MET A 48 -0.136 -4.864 6.340 1.00 30.13 C ATOM 0 H MET A 48 4.490 -1.998 4.666 1.00 72.15 H new ATOM 0 HA MET A 48 3.271 -4.701 4.495 1.00 60.55 H new ATOM 0 HB2 MET A 48 1.993 -1.940 4.262 1.00 41.34 H new ATOM 0 HB3 MET A 48 1.146 -3.473 4.212 1.00 41.34 H new ATOM 0 HG2 MET A 48 2.737 -2.491 6.609 1.00 31.15 H new ATOM 0 HG3 MET A 48 1.012 -2.256 6.416 1.00 31.15 H new ATOM 0 HE1 MET A 48 -0.434 -5.865 6.653 1.00 30.13 H new ATOM 0 HE2 MET A 48 -0.811 -4.130 6.780 1.00 30.13 H new ATOM 0 HE3 MET A 48 -0.183 -4.794 5.253 1.00 30.13 H new ATOM 793 N GLU A 49 2.694 -4.533 1.984 1.00 33.14 N ATOM 794 CA GLU A 49 2.687 -4.585 0.517 1.00 72.21 C ATOM 795 C GLU A 49 1.261 -4.736 -0.030 1.00 44.24 C ATOM 796 O GLU A 49 0.438 -5.466 0.530 1.00 62.20 O ATOM 797 CB GLU A 49 3.569 -5.739 0.017 1.00 44.51 C ATOM 798 CG GLU A 49 3.627 -5.862 -1.504 1.00 33.01 C ATOM 799 CD GLU A 49 4.634 -6.901 -1.979 1.00 62.41 C ATOM 800 OE1 GLU A 49 4.343 -8.110 -1.875 1.00 3.44 O ATOM 801 OE2 GLU A 49 5.723 -6.514 -2.460 1.00 42.04 O ATOM 0 H GLU A 49 2.128 -5.254 2.432 1.00 33.14 H new ATOM 0 HA GLU A 49 3.092 -3.642 0.149 1.00 72.21 H new ATOM 0 HB2 GLU A 49 4.581 -5.601 0.399 1.00 44.51 H new ATOM 0 HB3 GLU A 49 3.196 -6.675 0.433 1.00 44.51 H new ATOM 0 HG2 GLU A 49 2.638 -6.124 -1.880 1.00 33.01 H new ATOM 0 HG3 GLU A 49 3.884 -4.893 -1.932 1.00 33.01 H new ATOM 808 N VAL A 50 0.978 -4.039 -1.125 1.00 1.01 N ATOM 809 CA VAL A 50 -0.341 -4.079 -1.755 1.00 32.21 C ATOM 810 C VAL A 50 -0.247 -4.393 -3.257 1.00 23.13 C ATOM 811 O VAL A 50 0.494 -3.745 -4.002 1.00 42.32 O ATOM 812 CB VAL A 50 -1.107 -2.746 -1.550 1.00 42.32 C ATOM 813 CG1 VAL A 50 -0.289 -1.558 -2.053 1.00 65.15 C ATOM 814 CG2 VAL A 50 -2.477 -2.795 -2.231 1.00 15.43 C ATOM 0 H VAL A 50 1.649 -3.434 -1.599 1.00 1.01 H new ATOM 0 HA VAL A 50 -0.893 -4.882 -1.268 1.00 32.21 H new ATOM 0 HB VAL A 50 -1.266 -2.612 -0.480 1.00 42.32 H new ATOM 0 HG11 VAL A 50 -0.851 -0.637 -1.897 1.00 65.15 H new ATOM 0 HG12 VAL A 50 0.652 -1.506 -1.506 1.00 65.15 H new ATOM 0 HG13 VAL A 50 -0.084 -1.682 -3.116 1.00 65.15 H new ATOM 0 HG21 VAL A 50 -2.996 -1.849 -2.074 1.00 15.43 H new ATOM 0 HG22 VAL A 50 -2.346 -2.964 -3.300 1.00 15.43 H new ATOM 0 HG23 VAL A 50 -3.066 -3.607 -1.805 1.00 15.43 H new ATOM 824 N GLU A 51 -0.989 -5.409 -3.689 1.00 31.13 N ATOM 825 CA GLU A 51 -1.091 -5.747 -5.109 1.00 12.34 C ATOM 826 C GLU A 51 -2.093 -4.822 -5.821 1.00 65.43 C ATOM 827 O GLU A 51 -3.308 -4.983 -5.696 1.00 10.42 O ATOM 828 CB GLU A 51 -1.500 -7.221 -5.271 1.00 34.02 C ATOM 829 CG GLU A 51 -1.819 -7.626 -6.708 1.00 54.14 C ATOM 830 CD GLU A 51 -2.075 -9.118 -6.864 1.00 21.33 C ATOM 831 OE1 GLU A 51 -2.994 -9.649 -6.201 1.00 60.41 O ATOM 832 OE2 GLU A 51 -1.358 -9.767 -7.651 1.00 21.25 O ATOM 0 H GLU A 51 -1.531 -6.016 -3.074 1.00 31.13 H new ATOM 0 HA GLU A 51 -0.115 -5.602 -5.572 1.00 12.34 H new ATOM 0 HB2 GLU A 51 -0.695 -7.853 -4.897 1.00 34.02 H new ATOM 0 HB3 GLU A 51 -2.373 -7.415 -4.648 1.00 34.02 H new ATOM 0 HG2 GLU A 51 -2.696 -7.075 -7.048 1.00 54.14 H new ATOM 0 HG3 GLU A 51 -0.990 -7.336 -7.354 1.00 54.14 H new ATOM 839 N VAL A 52 -1.569 -3.842 -6.553 1.00 72.44 N ATOM 840 CA VAL A 52 -2.399 -2.876 -7.282 1.00 71.24 C ATOM 841 C VAL A 52 -2.280 -3.070 -8.799 1.00 13.22 C ATOM 842 O VAL A 52 -1.183 -3.002 -9.352 1.00 4.20 O ATOM 843 CB VAL A 52 -1.992 -1.423 -6.930 1.00 45.00 C ATOM 844 CG1 VAL A 52 -2.903 -0.412 -7.621 1.00 62.12 C ATOM 845 CG2 VAL A 52 -1.998 -1.222 -5.420 1.00 12.42 C ATOM 0 H VAL A 52 -0.566 -3.692 -6.660 1.00 72.44 H new ATOM 0 HA VAL A 52 -3.432 -3.050 -6.980 1.00 71.24 H new ATOM 0 HB VAL A 52 -0.979 -1.255 -7.295 1.00 45.00 H new ATOM 0 HG11 VAL A 52 -2.593 0.599 -7.355 1.00 62.12 H new ATOM 0 HG12 VAL A 52 -2.835 -0.540 -8.701 1.00 62.12 H new ATOM 0 HG13 VAL A 52 -3.933 -0.572 -7.301 1.00 62.12 H new ATOM 0 HG21 VAL A 52 -1.710 -0.197 -5.188 1.00 12.42 H new ATOM 0 HG22 VAL A 52 -2.998 -1.415 -5.031 1.00 12.42 H new ATOM 0 HG23 VAL A 52 -1.290 -1.911 -4.958 1.00 12.42 H new ATOM 855 N ASP A 53 -3.414 -3.341 -9.461 1.00 14.11 N ATOM 856 CA ASP A 53 -3.458 -3.508 -10.928 1.00 4.22 C ATOM 857 C ASP A 53 -2.728 -4.795 -11.379 1.00 11.45 C ATOM 858 O ASP A 53 -2.782 -5.184 -12.545 1.00 24.52 O ATOM 859 CB ASP A 53 -2.848 -2.263 -11.608 1.00 74.42 C ATOM 860 CG ASP A 53 -3.059 -2.225 -13.116 1.00 72.03 C ATOM 861 OD1 ASP A 53 -4.088 -1.674 -13.558 1.00 1.44 O ATOM 862 OD2 ASP A 53 -2.191 -2.729 -13.861 1.00 62.03 O ATOM 0 H ASP A 53 -4.319 -3.450 -9.004 1.00 14.11 H new ATOM 0 HA ASP A 53 -4.500 -3.609 -11.232 1.00 4.22 H new ATOM 0 HB2 ASP A 53 -3.285 -1.368 -11.166 1.00 74.42 H new ATOM 0 HB3 ASP A 53 -1.779 -2.233 -11.399 1.00 74.42 H new ATOM 867 N GLY A 54 -2.083 -5.475 -10.434 1.00 41.21 N ATOM 868 CA GLY A 54 -1.240 -6.622 -10.758 1.00 31.40 C ATOM 869 C GLY A 54 0.219 -6.392 -10.367 1.00 63.23 C ATOM 870 O GLY A 54 1.047 -7.305 -10.431 1.00 21.15 O ATOM 0 H GLY A 54 -2.128 -5.252 -9.440 1.00 41.21 H new ATOM 0 HA2 GLY A 54 -1.618 -7.506 -10.244 1.00 31.40 H new ATOM 0 HA3 GLY A 54 -1.301 -6.825 -11.827 1.00 31.40 H new ATOM 874 N GLN A 55 0.529 -5.162 -9.972 1.00 52.05 N ATOM 875 CA GLN A 55 1.873 -4.782 -9.521 1.00 72.22 C ATOM 876 C GLN A 55 1.917 -4.673 -7.986 1.00 3.44 C ATOM 877 O GLN A 55 1.051 -4.043 -7.383 1.00 54.32 O ATOM 878 CB GLN A 55 2.257 -3.435 -10.151 1.00 12.33 C ATOM 879 CG GLN A 55 2.209 -3.430 -11.677 1.00 32.23 C ATOM 880 CD GLN A 55 2.325 -2.032 -12.266 1.00 22.30 C ATOM 881 OE1 GLN A 55 1.196 -1.379 -12.482 1.00 13.44 O flip ATOM 882 NE2 GLN A 55 3.416 -1.543 -12.533 1.00 15.02 N flip ATOM 0 H GLN A 55 -0.143 -4.395 -9.954 1.00 52.05 H new ATOM 0 HA GLN A 55 2.582 -5.549 -9.832 1.00 72.22 H new ATOM 0 HB2 GLN A 55 1.585 -2.664 -9.774 1.00 12.33 H new ATOM 0 HB3 GLN A 55 3.263 -3.168 -9.828 1.00 12.33 H new ATOM 0 HG2 GLN A 55 3.018 -4.050 -12.063 1.00 32.23 H new ATOM 0 HG3 GLN A 55 1.274 -3.882 -12.008 1.00 32.23 H new ATOM 0 HE21 GLN A 55 4.270 -2.072 -12.355 1.00 15.02 H new ATOM 0 HE22 GLN A 55 3.471 -0.607 -12.934 1.00 15.02 H new ATOM 891 N LYS A 56 2.914 -5.289 -7.355 1.00 13.20 N ATOM 892 CA LYS A 56 3.046 -5.242 -5.891 1.00 53.31 C ATOM 893 C LYS A 56 3.883 -4.029 -5.435 1.00 74.44 C ATOM 894 O LYS A 56 5.045 -3.883 -5.821 1.00 4.34 O ATOM 895 CB LYS A 56 3.681 -6.539 -5.358 1.00 73.01 C ATOM 896 CG LYS A 56 2.737 -7.742 -5.283 1.00 44.21 C ATOM 897 CD LYS A 56 2.374 -8.306 -6.657 1.00 24.40 C ATOM 898 CE LYS A 56 1.677 -9.662 -6.536 1.00 44.12 C ATOM 899 NZ LYS A 56 1.301 -10.227 -7.862 1.00 30.34 N ATOM 0 H LYS A 56 3.642 -5.826 -7.827 1.00 13.20 H new ATOM 0 HA LYS A 56 2.041 -5.140 -5.481 1.00 53.31 H new ATOM 0 HB2 LYS A 56 4.526 -6.800 -5.995 1.00 73.01 H new ATOM 0 HB3 LYS A 56 4.080 -6.347 -4.362 1.00 73.01 H new ATOM 0 HG2 LYS A 56 3.204 -8.526 -4.687 1.00 44.21 H new ATOM 0 HG3 LYS A 56 1.824 -7.448 -4.765 1.00 44.21 H new ATOM 0 HD2 LYS A 56 1.722 -7.605 -7.179 1.00 24.40 H new ATOM 0 HD3 LYS A 56 3.277 -8.411 -7.259 1.00 24.40 H new ATOM 0 HE2 LYS A 56 2.335 -10.361 -6.020 1.00 44.12 H new ATOM 0 HE3 LYS A 56 0.782 -9.554 -5.923 1.00 44.12 H new ATOM 0 HZ1 LYS A 56 1.399 -11.262 -7.839 1.00 30.34 H new ATOM 0 HZ2 LYS A 56 0.315 -9.978 -8.079 1.00 30.34 H new ATOM 0 HZ3 LYS A 56 1.926 -9.836 -8.596 1.00 30.34 H new ATOM 913 N PHE A 57 3.292 -3.172 -4.600 1.00 21.22 N ATOM 914 CA PHE A 57 3.989 -1.991 -4.059 1.00 1.13 C ATOM 915 C PHE A 57 4.160 -2.096 -2.532 1.00 22.20 C ATOM 916 O PHE A 57 3.230 -2.478 -1.826 1.00 4.52 O ATOM 917 CB PHE A 57 3.215 -0.711 -4.403 1.00 53.22 C ATOM 918 CG PHE A 57 3.047 -0.472 -5.883 1.00 2.30 C ATOM 919 CD1 PHE A 57 4.005 0.234 -6.601 1.00 1.44 C ATOM 920 CD2 PHE A 57 1.928 -0.942 -6.556 1.00 14.54 C ATOM 921 CE1 PHE A 57 3.849 0.462 -7.956 1.00 72.44 C ATOM 922 CE2 PHE A 57 1.768 -0.715 -7.911 1.00 24.14 C ATOM 923 CZ PHE A 57 2.729 -0.012 -8.612 1.00 71.21 C ATOM 0 H PHE A 57 2.329 -3.270 -4.279 1.00 21.22 H new ATOM 0 HA PHE A 57 4.978 -1.951 -4.516 1.00 1.13 H new ATOM 0 HB2 PHE A 57 2.230 -0.759 -3.939 1.00 53.22 H new ATOM 0 HB3 PHE A 57 3.732 0.142 -3.964 1.00 53.22 H new ATOM 0 HD1 PHE A 57 4.882 0.609 -6.094 1.00 1.44 H new ATOM 0 HD2 PHE A 57 1.172 -1.492 -6.015 1.00 14.54 H new ATOM 0 HE1 PHE A 57 4.603 1.011 -8.502 1.00 72.44 H new ATOM 0 HE2 PHE A 57 0.892 -1.087 -8.421 1.00 24.14 H new ATOM 0 HZ PHE A 57 2.605 0.167 -9.670 1.00 71.21 H new ATOM 933 N GLN A 58 5.347 -1.749 -2.027 1.00 32.32 N ATOM 934 CA GLN A 58 5.627 -1.810 -0.582 1.00 2.34 C ATOM 935 C GLN A 58 5.749 -0.414 0.051 1.00 20.32 C ATOM 936 O GLN A 58 6.176 0.546 -0.591 1.00 34.41 O ATOM 937 CB GLN A 58 6.913 -2.612 -0.314 1.00 42.43 C ATOM 938 CG GLN A 58 6.740 -4.117 -0.470 1.00 3.55 C ATOM 939 CD GLN A 58 8.021 -4.897 -0.223 1.00 3.31 C ATOM 940 OE1 GLN A 58 8.887 -4.482 0.545 1.00 54.31 O ATOM 941 NE2 GLN A 58 8.144 -6.043 -0.856 1.00 42.43 N ATOM 0 H GLN A 58 6.131 -1.423 -2.593 1.00 32.32 H new ATOM 0 HA GLN A 58 4.777 -2.312 -0.119 1.00 2.34 H new ATOM 0 HB2 GLN A 58 7.692 -2.272 -0.997 1.00 42.43 H new ATOM 0 HB3 GLN A 58 7.260 -2.398 0.697 1.00 42.43 H new ATOM 0 HG2 GLN A 58 5.973 -4.462 0.224 1.00 3.55 H new ATOM 0 HG3 GLN A 58 6.380 -4.332 -1.476 1.00 3.55 H new ATOM 0 HE21 GLN A 58 7.407 -6.359 -1.487 1.00 42.43 H new ATOM 0 HE22 GLN A 58 8.976 -6.616 -0.716 1.00 42.43 H new ATOM 950 N GLY A 59 5.374 -0.322 1.324 1.00 72.04 N ATOM 951 CA GLY A 59 5.489 0.927 2.065 1.00 62.44 C ATOM 952 C GLY A 59 5.834 0.704 3.533 1.00 31.10 C ATOM 953 O GLY A 59 5.443 -0.307 4.123 1.00 63.04 O ATOM 0 H GLY A 59 4.988 -1.098 1.862 1.00 72.04 H new ATOM 0 HA2 GLY A 59 6.257 1.549 1.605 1.00 62.44 H new ATOM 0 HA3 GLY A 59 4.550 1.475 1.995 1.00 62.44 H new ATOM 957 N ALA A 60 6.568 1.645 4.125 1.00 41.53 N ATOM 958 CA ALA A 60 7.019 1.518 5.517 1.00 3.32 C ATOM 959 C ALA A 60 6.421 2.616 6.411 1.00 3.12 C ATOM 960 O ALA A 60 6.451 3.797 6.070 1.00 44.24 O ATOM 961 CB ALA A 60 8.544 1.553 5.579 1.00 32.41 C ATOM 0 H ALA A 60 6.865 2.506 3.665 1.00 41.53 H new ATOM 0 HA ALA A 60 6.666 0.559 5.896 1.00 3.32 H new ATOM 0 HB1 ALA A 60 8.868 1.458 6.615 1.00 32.41 H new ATOM 0 HB2 ALA A 60 8.951 0.728 4.994 1.00 32.41 H new ATOM 0 HB3 ALA A 60 8.903 2.498 5.172 1.00 32.41 H new ATOM 967 N GLY A 61 5.879 2.214 7.558 1.00 1.43 N ATOM 968 CA GLY A 61 5.321 3.171 8.512 1.00 12.14 C ATOM 969 C GLY A 61 5.632 2.796 9.957 1.00 71.52 C ATOM 970 O GLY A 61 6.097 1.690 10.224 1.00 0.22 O ATOM 0 H GLY A 61 5.814 1.239 7.849 1.00 1.43 H new ATOM 0 HA2 GLY A 61 5.720 4.164 8.303 1.00 12.14 H new ATOM 0 HA3 GLY A 61 4.241 3.227 8.378 1.00 12.14 H new ATOM 974 N SER A 62 5.373 3.701 10.899 1.00 32.13 N ATOM 975 CA SER A 62 5.670 3.430 12.318 1.00 31.20 C ATOM 976 C SER A 62 4.597 2.539 12.977 1.00 64.21 C ATOM 977 O SER A 62 4.753 2.098 14.119 1.00 14.00 O ATOM 978 CB SER A 62 5.817 4.737 13.104 1.00 12.54 C ATOM 979 OG SER A 62 6.288 4.489 14.419 1.00 30.12 O ATOM 0 H SER A 62 4.964 4.618 10.717 1.00 32.13 H new ATOM 0 HA SER A 62 6.615 2.888 12.344 1.00 31.20 H new ATOM 0 HB2 SER A 62 6.508 5.402 12.586 1.00 12.54 H new ATOM 0 HB3 SER A 62 4.856 5.249 13.149 1.00 12.54 H new ATOM 0 HG SER A 62 5.549 4.166 14.976 1.00 30.12 H new ATOM 985 N ASN A 63 3.504 2.294 12.254 1.00 43.44 N ATOM 986 CA ASN A 63 2.459 1.361 12.694 1.00 21.01 C ATOM 987 C ASN A 63 1.758 0.728 11.476 1.00 61.34 C ATOM 988 O ASN A 63 1.805 1.282 10.379 1.00 11.33 O ATOM 989 CB ASN A 63 1.449 2.065 13.613 1.00 61.24 C ATOM 990 CG ASN A 63 0.750 3.239 12.948 1.00 72.51 C ATOM 991 OD1 ASN A 63 1.274 4.343 12.908 1.00 3.01 O ATOM 992 ND2 ASN A 63 -0.454 3.017 12.448 1.00 13.41 N ATOM 0 H ASN A 63 3.316 2.732 11.352 1.00 43.44 H new ATOM 0 HA ASN A 63 2.927 0.562 13.269 1.00 21.01 H new ATOM 0 HB2 ASN A 63 0.701 1.343 13.940 1.00 61.24 H new ATOM 0 HB3 ASN A 63 1.965 2.417 14.507 1.00 61.24 H new ATOM 0 HD21 ASN A 63 -0.974 3.779 12.013 1.00 13.41 H new ATOM 0 HD22 ASN A 63 -0.863 2.084 12.498 1.00 13.41 H new ATOM 999 N LYS A 64 1.104 -0.422 11.676 1.00 55.30 N ATOM 1000 CA LYS A 64 0.539 -1.214 10.564 1.00 63.44 C ATOM 1001 C LYS A 64 -0.311 -0.364 9.600 1.00 3.22 C ATOM 1002 O LYS A 64 -0.132 -0.427 8.383 1.00 63.22 O ATOM 1003 CB LYS A 64 -0.310 -2.364 11.119 1.00 71.34 C ATOM 1004 CG LYS A 64 -0.620 -3.459 10.099 1.00 14.52 C ATOM 1005 CD LYS A 64 -1.570 -4.516 10.664 1.00 34.04 C ATOM 1006 CE LYS A 64 -1.076 -5.078 11.997 1.00 31.14 C ATOM 1007 NZ LYS A 64 0.274 -5.697 11.887 1.00 3.54 N ATOM 0 H LYS A 64 0.950 -0.830 12.598 1.00 55.30 H new ATOM 0 HA LYS A 64 1.381 -1.607 9.994 1.00 63.44 H new ATOM 0 HB2 LYS A 64 0.210 -2.809 11.967 1.00 71.34 H new ATOM 0 HB3 LYS A 64 -1.248 -1.959 11.498 1.00 71.34 H new ATOM 0 HG2 LYS A 64 -1.064 -3.011 9.210 1.00 14.52 H new ATOM 0 HG3 LYS A 64 0.309 -3.936 9.786 1.00 14.52 H new ATOM 0 HD2 LYS A 64 -2.559 -4.079 10.800 1.00 34.04 H new ATOM 0 HD3 LYS A 64 -1.676 -5.329 9.945 1.00 34.04 H new ATOM 0 HE2 LYS A 64 -1.047 -4.278 12.737 1.00 31.14 H new ATOM 0 HE3 LYS A 64 -1.785 -5.822 12.360 1.00 31.14 H new ATOM 0 HZ1 LYS A 64 0.289 -6.593 12.416 1.00 3.54 H new ATOM 0 HZ2 LYS A 64 0.491 -5.882 10.887 1.00 3.54 H new ATOM 0 HZ3 LYS A 64 0.986 -5.050 12.282 1.00 3.54 H new ATOM 1021 N LYS A 65 -1.230 0.427 10.148 1.00 1.45 N ATOM 1022 CA LYS A 65 -2.104 1.278 9.327 1.00 54.13 C ATOM 1023 C LYS A 65 -1.303 2.286 8.483 1.00 51.23 C ATOM 1024 O LYS A 65 -1.476 2.360 7.265 1.00 74.01 O ATOM 1025 CB LYS A 65 -3.118 2.017 10.212 1.00 64.43 C ATOM 1026 CG LYS A 65 -4.138 1.104 10.892 1.00 33.15 C ATOM 1027 CD LYS A 65 -4.972 0.316 9.882 1.00 70.14 C ATOM 1028 CE LYS A 65 -5.713 1.228 8.908 1.00 21.12 C ATOM 1029 NZ LYS A 65 -6.671 2.135 9.599 1.00 14.43 N ATOM 0 H LYS A 65 -1.393 0.500 11.152 1.00 1.45 H new ATOM 0 HA LYS A 65 -2.638 0.623 8.638 1.00 54.13 H new ATOM 0 HB2 LYS A 65 -2.578 2.573 10.978 1.00 64.43 H new ATOM 0 HB3 LYS A 65 -3.650 2.748 9.603 1.00 64.43 H new ATOM 0 HG2 LYS A 65 -3.618 0.409 11.552 1.00 33.15 H new ATOM 0 HG3 LYS A 65 -4.799 1.703 11.518 1.00 33.15 H new ATOM 0 HD2 LYS A 65 -4.322 -0.357 9.323 1.00 70.14 H new ATOM 0 HD3 LYS A 65 -5.692 -0.305 10.414 1.00 70.14 H new ATOM 0 HE2 LYS A 65 -4.990 1.824 8.350 1.00 21.12 H new ATOM 0 HE3 LYS A 65 -6.252 0.619 8.182 1.00 21.12 H new ATOM 0 HZ1 LYS A 65 -7.198 2.686 8.892 1.00 14.43 H new ATOM 0 HZ2 LYS A 65 -7.337 1.571 10.165 1.00 14.43 H new ATOM 0 HZ3 LYS A 65 -6.148 2.782 10.223 1.00 14.43 H new ATOM 1043 N VAL A 66 -0.426 3.054 9.130 1.00 4.24 N ATOM 1044 CA VAL A 66 0.403 4.044 8.425 1.00 51.33 C ATOM 1045 C VAL A 66 1.335 3.375 7.397 1.00 51.10 C ATOM 1046 O VAL A 66 1.625 3.940 6.340 1.00 73.14 O ATOM 1047 CB VAL A 66 1.233 4.893 9.423 1.00 22.04 C ATOM 1048 CG1 VAL A 66 2.205 5.815 8.693 1.00 60.32 C ATOM 1049 CG2 VAL A 66 0.308 5.706 10.328 1.00 34.30 C ATOM 0 H VAL A 66 -0.268 3.013 10.137 1.00 4.24 H new ATOM 0 HA VAL A 66 -0.277 4.705 7.888 1.00 51.33 H new ATOM 0 HB VAL A 66 1.818 4.209 10.038 1.00 22.04 H new ATOM 0 HG11 VAL A 66 2.771 6.396 9.421 1.00 60.32 H new ATOM 0 HG12 VAL A 66 2.891 5.218 8.092 1.00 60.32 H new ATOM 0 HG13 VAL A 66 1.648 6.490 8.044 1.00 60.32 H new ATOM 0 HG21 VAL A 66 0.905 6.296 11.023 1.00 34.30 H new ATOM 0 HG22 VAL A 66 -0.304 6.372 9.719 1.00 34.30 H new ATOM 0 HG23 VAL A 66 -0.338 5.031 10.889 1.00 34.30 H new ATOM 1059 N ALA A 67 1.784 2.163 7.707 1.00 52.22 N ATOM 1060 CA ALA A 67 2.583 1.369 6.771 1.00 32.43 C ATOM 1061 C ALA A 67 1.774 1.043 5.506 1.00 4.54 C ATOM 1062 O ALA A 67 2.261 1.193 4.384 1.00 44.43 O ATOM 1063 CB ALA A 67 3.063 0.089 7.446 1.00 50.50 C ATOM 0 H ALA A 67 1.609 1.705 8.602 1.00 52.22 H new ATOM 0 HA ALA A 67 3.453 1.955 6.474 1.00 32.43 H new ATOM 0 HB1 ALA A 67 3.656 -0.494 6.741 1.00 50.50 H new ATOM 0 HB2 ALA A 67 3.674 0.342 8.312 1.00 50.50 H new ATOM 0 HB3 ALA A 67 2.202 -0.497 7.768 1.00 50.50 H new ATOM 1069 N LYS A 68 0.528 0.604 5.701 1.00 5.12 N ATOM 1070 CA LYS A 68 -0.394 0.356 4.586 1.00 55.53 C ATOM 1071 C LYS A 68 -0.684 1.652 3.811 1.00 33.32 C ATOM 1072 O LYS A 68 -0.875 1.636 2.596 1.00 74.33 O ATOM 1073 CB LYS A 68 -1.712 -0.239 5.101 1.00 72.42 C ATOM 1074 CG LYS A 68 -1.555 -1.604 5.756 1.00 10.32 C ATOM 1075 CD LYS A 68 -2.879 -2.140 6.300 1.00 42.43 C ATOM 1076 CE LYS A 68 -3.926 -2.307 5.204 1.00 4.22 C ATOM 1077 NZ LYS A 68 -5.154 -2.979 5.709 1.00 30.21 N ATOM 0 H LYS A 68 0.133 0.412 6.621 1.00 5.12 H new ATOM 0 HA LYS A 68 0.084 -0.355 3.912 1.00 55.53 H new ATOM 0 HB2 LYS A 68 -2.154 0.450 5.820 1.00 72.42 H new ATOM 0 HB3 LYS A 68 -2.411 -0.324 4.269 1.00 72.42 H new ATOM 0 HG2 LYS A 68 -1.151 -2.309 5.030 1.00 10.32 H new ATOM 0 HG3 LYS A 68 -0.832 -1.534 6.569 1.00 10.32 H new ATOM 0 HD2 LYS A 68 -2.708 -3.100 6.786 1.00 42.43 H new ATOM 0 HD3 LYS A 68 -3.259 -1.460 7.062 1.00 42.43 H new ATOM 0 HE2 LYS A 68 -4.187 -1.329 4.799 1.00 4.22 H new ATOM 0 HE3 LYS A 68 -3.504 -2.889 4.384 1.00 4.22 H new ATOM 0 HZ1 LYS A 68 -5.841 -3.074 4.934 1.00 30.21 H new ATOM 0 HZ2 LYS A 68 -4.909 -3.922 6.072 1.00 30.21 H new ATOM 0 HZ3 LYS A 68 -5.571 -2.411 6.474 1.00 30.21 H new ATOM 1091 N ALA A 69 -0.720 2.769 4.533 1.00 52.22 N ATOM 1092 CA ALA A 69 -0.937 4.084 3.927 1.00 3.22 C ATOM 1093 C ALA A 69 0.202 4.451 2.960 1.00 44.14 C ATOM 1094 O ALA A 69 -0.044 4.909 1.841 1.00 15.51 O ATOM 1095 CB ALA A 69 -1.083 5.140 5.016 1.00 50.24 C ATOM 0 H ALA A 69 -0.601 2.791 5.546 1.00 52.22 H new ATOM 0 HA ALA A 69 -1.858 4.045 3.346 1.00 3.22 H new ATOM 0 HB1 ALA A 69 -1.244 6.116 4.557 1.00 50.24 H new ATOM 0 HB2 ALA A 69 -1.934 4.893 5.651 1.00 50.24 H new ATOM 0 HB3 ALA A 69 -0.176 5.168 5.619 1.00 50.24 H new ATOM 1101 N TYR A 70 1.449 4.249 3.394 1.00 10.32 N ATOM 1102 CA TYR A 70 2.611 4.484 2.528 1.00 1.53 C ATOM 1103 C TYR A 70 2.683 3.458 1.384 1.00 32.53 C ATOM 1104 O TYR A 70 3.086 3.793 0.270 1.00 32.43 O ATOM 1105 CB TYR A 70 3.917 4.479 3.341 1.00 51.45 C ATOM 1106 CG TYR A 70 4.151 5.760 4.127 1.00 23.35 C ATOM 1107 CD1 TYR A 70 4.378 6.967 3.468 1.00 15.41 C ATOM 1108 CD2 TYR A 70 4.138 5.769 5.517 1.00 14.44 C ATOM 1109 CE1 TYR A 70 4.586 8.139 4.171 1.00 61.11 C ATOM 1110 CE2 TYR A 70 4.345 6.940 6.226 1.00 14.21 C ATOM 1111 CZ TYR A 70 4.568 8.120 5.549 1.00 61.33 C ATOM 1112 OH TYR A 70 4.763 9.289 6.255 1.00 24.15 O ATOM 0 H TYR A 70 1.681 3.925 4.333 1.00 10.32 H new ATOM 0 HA TYR A 70 2.487 5.471 2.083 1.00 1.53 H new ATOM 0 HB2 TYR A 70 3.901 3.636 4.032 1.00 51.45 H new ATOM 0 HB3 TYR A 70 4.756 4.320 2.664 1.00 51.45 H new ATOM 0 HD1 TYR A 70 4.392 6.987 2.388 1.00 15.41 H new ATOM 0 HD2 TYR A 70 3.964 4.848 6.053 1.00 14.44 H new ATOM 0 HE1 TYR A 70 4.762 9.065 3.643 1.00 61.11 H new ATOM 0 HE2 TYR A 70 4.332 6.929 7.306 1.00 14.21 H new ATOM 0 HH TYR A 70 4.719 9.102 7.216 1.00 24.15 H new ATOM 1122 N ALA A 71 2.287 2.212 1.659 1.00 13.11 N ATOM 1123 CA ALA A 71 2.207 1.180 0.613 1.00 31.02 C ATOM 1124 C ALA A 71 1.204 1.585 -0.477 1.00 42.53 C ATOM 1125 O ALA A 71 1.472 1.452 -1.674 1.00 13.22 O ATOM 1126 CB ALA A 71 1.825 -0.167 1.223 1.00 54.23 C ATOM 0 H ALA A 71 2.018 1.892 2.589 1.00 13.11 H new ATOM 0 HA ALA A 71 3.189 1.084 0.150 1.00 31.02 H new ATOM 0 HB1 ALA A 71 1.770 -0.920 0.437 1.00 54.23 H new ATOM 0 HB2 ALA A 71 2.577 -0.461 1.955 1.00 54.23 H new ATOM 0 HB3 ALA A 71 0.855 -0.083 1.713 1.00 54.23 H new ATOM 1132 N ALA A 72 0.051 2.093 -0.047 1.00 51.04 N ATOM 1133 CA ALA A 72 -0.961 2.616 -0.966 1.00 51.13 C ATOM 1134 C ALA A 72 -0.424 3.822 -1.752 1.00 43.12 C ATOM 1135 O ALA A 72 -0.603 3.919 -2.969 1.00 63.14 O ATOM 1136 CB ALA A 72 -2.223 2.998 -0.202 1.00 45.01 C ATOM 0 H ALA A 72 -0.208 2.154 0.938 1.00 51.04 H new ATOM 0 HA ALA A 72 -1.207 1.831 -1.681 1.00 51.13 H new ATOM 0 HB1 ALA A 72 -2.967 3.385 -0.898 1.00 45.01 H new ATOM 0 HB2 ALA A 72 -2.622 2.119 0.304 1.00 45.01 H new ATOM 0 HB3 ALA A 72 -1.984 3.764 0.536 1.00 45.01 H new ATOM 1142 N LEU A 73 0.244 4.740 -1.049 1.00 43.54 N ATOM 1143 CA LEU A 73 0.867 5.903 -1.694 1.00 44.32 C ATOM 1144 C LEU A 73 1.952 5.479 -2.694 1.00 40.32 C ATOM 1145 O LEU A 73 2.140 6.126 -3.717 1.00 61.21 O ATOM 1146 CB LEU A 73 1.450 6.864 -0.645 1.00 74.13 C ATOM 1147 CG LEU A 73 0.421 7.760 0.067 1.00 23.42 C ATOM 1148 CD1 LEU A 73 1.099 8.649 1.105 1.00 34.14 C ATOM 1149 CD2 LEU A 73 -0.349 8.607 -0.947 1.00 33.11 C ATOM 0 H LEU A 73 0.368 4.703 -0.037 1.00 43.54 H new ATOM 0 HA LEU A 73 0.087 6.425 -2.248 1.00 44.32 H new ATOM 0 HB2 LEU A 73 1.979 6.278 0.106 1.00 74.13 H new ATOM 0 HB3 LEU A 73 2.189 7.502 -1.131 1.00 74.13 H new ATOM 0 HG LEU A 73 -0.288 7.115 0.585 1.00 23.42 H new ATOM 0 HD11 LEU A 73 0.351 9.273 1.594 1.00 34.14 H new ATOM 0 HD12 LEU A 73 1.595 8.026 1.849 1.00 34.14 H new ATOM 0 HD13 LEU A 73 1.836 9.284 0.614 1.00 34.14 H new ATOM 0 HD21 LEU A 73 -1.071 9.233 -0.424 1.00 33.11 H new ATOM 0 HD22 LEU A 73 0.348 9.239 -1.497 1.00 33.11 H new ATOM 0 HD23 LEU A 73 -0.873 7.953 -1.644 1.00 33.11 H new ATOM 1161 N ALA A 74 2.650 4.383 -2.404 1.00 52.04 N ATOM 1162 CA ALA A 74 3.654 3.847 -3.330 1.00 14.12 C ATOM 1163 C ALA A 74 3.023 3.495 -4.689 1.00 32.33 C ATOM 1164 O ALA A 74 3.658 3.622 -5.739 1.00 61.42 O ATOM 1165 CB ALA A 74 4.339 2.628 -2.717 1.00 40.33 C ATOM 0 H ALA A 74 2.542 3.849 -1.542 1.00 52.04 H new ATOM 0 HA ALA A 74 4.405 4.617 -3.504 1.00 14.12 H new ATOM 0 HB1 ALA A 74 5.082 2.239 -3.414 1.00 40.33 H new ATOM 0 HB2 ALA A 74 4.829 2.916 -1.787 1.00 40.33 H new ATOM 0 HB3 ALA A 74 3.596 1.858 -2.512 1.00 40.33 H new ATOM 1171 N ALA A 75 1.765 3.060 -4.658 1.00 21.52 N ATOM 1172 CA ALA A 75 1.011 2.783 -5.882 1.00 74.53 C ATOM 1173 C ALA A 75 0.468 4.078 -6.506 1.00 31.20 C ATOM 1174 O ALA A 75 0.584 4.294 -7.715 1.00 25.42 O ATOM 1175 CB ALA A 75 -0.133 1.822 -5.588 1.00 71.01 C ATOM 0 H ALA A 75 1.244 2.891 -3.797 1.00 21.52 H new ATOM 0 HA ALA A 75 1.690 2.322 -6.599 1.00 74.53 H new ATOM 0 HB1 ALA A 75 -0.686 1.624 -6.506 1.00 71.01 H new ATOM 0 HB2 ALA A 75 0.269 0.887 -5.197 1.00 71.01 H new ATOM 0 HB3 ALA A 75 -0.801 2.267 -4.850 1.00 71.01 H new ATOM 1181 N LEU A 76 -0.123 4.938 -5.674 1.00 74.14 N ATOM 1182 CA LEU A 76 -0.680 6.217 -6.133 1.00 21.22 C ATOM 1183 C LEU A 76 0.386 7.092 -6.824 1.00 15.13 C ATOM 1184 O LEU A 76 0.152 7.626 -7.905 1.00 63.53 O ATOM 1185 CB LEU A 76 -1.306 6.980 -4.951 1.00 22.13 C ATOM 1186 CG LEU A 76 -2.543 6.317 -4.315 1.00 61.14 C ATOM 1187 CD1 LEU A 76 -2.994 7.084 -3.076 1.00 14.44 C ATOM 1188 CD2 LEU A 76 -3.683 6.222 -5.326 1.00 31.32 C ATOM 0 H LEU A 76 -0.230 4.773 -4.673 1.00 74.14 H new ATOM 0 HA LEU A 76 -1.453 5.994 -6.869 1.00 21.22 H new ATOM 0 HB2 LEU A 76 -0.546 7.107 -4.180 1.00 22.13 H new ATOM 0 HB3 LEU A 76 -1.584 7.977 -5.291 1.00 22.13 H new ATOM 0 HG LEU A 76 -2.265 5.308 -4.011 1.00 61.14 H new ATOM 0 HD11 LEU A 76 -3.869 6.597 -2.645 1.00 14.44 H new ATOM 0 HD12 LEU A 76 -2.188 7.097 -2.343 1.00 14.44 H new ATOM 0 HD13 LEU A 76 -3.249 8.107 -3.354 1.00 14.44 H new ATOM 0 HD21 LEU A 76 -4.547 5.751 -4.857 1.00 31.32 H new ATOM 0 HD22 LEU A 76 -3.954 7.222 -5.664 1.00 31.32 H new ATOM 0 HD23 LEU A 76 -3.363 5.625 -6.180 1.00 31.32 H new ATOM 1200 N GLU A 77 1.564 7.210 -6.212 1.00 4.32 N ATOM 1201 CA GLU A 77 2.656 8.030 -6.767 1.00 31.44 C ATOM 1202 C GLU A 77 3.205 7.450 -8.084 1.00 14.14 C ATOM 1203 O GLU A 77 3.937 8.122 -8.810 1.00 3.15 O ATOM 1204 CB GLU A 77 3.803 8.153 -5.750 1.00 30.14 C ATOM 1205 CG GLU A 77 3.405 8.807 -4.429 1.00 24.53 C ATOM 1206 CD GLU A 77 4.585 8.975 -3.482 1.00 33.03 C ATOM 1207 OE1 GLU A 77 5.084 7.956 -2.957 1.00 33.02 O ATOM 1208 OE2 GLU A 77 5.018 10.125 -3.256 1.00 11.14 O ATOM 0 H GLU A 77 1.793 6.750 -5.331 1.00 4.32 H new ATOM 0 HA GLU A 77 2.239 9.015 -6.978 1.00 31.44 H new ATOM 0 HB2 GLU A 77 4.199 7.158 -5.545 1.00 30.14 H new ATOM 0 HB3 GLU A 77 4.611 8.731 -6.199 1.00 30.14 H new ATOM 0 HG2 GLU A 77 2.963 9.783 -4.629 1.00 24.53 H new ATOM 0 HG3 GLU A 77 2.638 8.203 -3.945 1.00 24.53 H new ATOM 1215 N LYS A 78 2.862 6.201 -8.386 1.00 55.12 N ATOM 1216 CA LYS A 78 3.358 5.539 -9.598 1.00 11.42 C ATOM 1217 C LYS A 78 2.291 5.543 -10.713 1.00 14.43 C ATOM 1218 O LYS A 78 2.588 5.833 -11.874 1.00 5.12 O ATOM 1219 CB LYS A 78 3.788 4.098 -9.253 1.00 4.34 C ATOM 1220 CG LYS A 78 4.768 3.462 -10.247 1.00 44.12 C ATOM 1221 CD LYS A 78 4.089 2.997 -11.534 1.00 25.52 C ATOM 1222 CE LYS A 78 5.104 2.516 -12.567 1.00 34.32 C ATOM 1223 NZ LYS A 78 6.020 3.610 -12.990 1.00 50.42 N ATOM 0 H LYS A 78 2.245 5.625 -7.813 1.00 55.12 H new ATOM 0 HA LYS A 78 4.220 6.090 -9.974 1.00 11.42 H new ATOM 0 HB2 LYS A 78 4.245 4.098 -8.263 1.00 4.34 H new ATOM 0 HB3 LYS A 78 2.897 3.473 -9.193 1.00 4.34 H new ATOM 0 HG2 LYS A 78 5.548 4.183 -10.493 1.00 44.12 H new ATOM 0 HG3 LYS A 78 5.258 2.612 -9.773 1.00 44.12 H new ATOM 0 HD2 LYS A 78 3.392 2.191 -11.306 1.00 25.52 H new ATOM 0 HD3 LYS A 78 3.504 3.816 -11.953 1.00 25.52 H new ATOM 0 HE2 LYS A 78 5.687 1.695 -12.150 1.00 34.32 H new ATOM 0 HE3 LYS A 78 4.579 2.124 -13.438 1.00 34.32 H new ATOM 0 HZ1 LYS A 78 6.494 3.343 -13.876 1.00 50.42 H new ATOM 0 HZ2 LYS A 78 5.474 4.482 -13.139 1.00 50.42 H new ATOM 0 HZ3 LYS A 78 6.734 3.770 -12.251 1.00 50.42 H new ATOM 1237 N LEU A 79 1.048 5.234 -10.349 1.00 34.11 N ATOM 1238 CA LEU A 79 -0.036 5.085 -11.335 1.00 64.55 C ATOM 1239 C LEU A 79 -0.940 6.329 -11.433 1.00 12.42 C ATOM 1240 O LEU A 79 -1.576 6.558 -12.468 1.00 74.03 O ATOM 1241 CB LEU A 79 -0.888 3.856 -10.987 1.00 32.41 C ATOM 1242 CG LEU A 79 -0.121 2.521 -10.915 1.00 72.21 C ATOM 1243 CD1 LEU A 79 -1.058 1.372 -10.552 1.00 14.45 C ATOM 1244 CD2 LEU A 79 0.594 2.239 -12.237 1.00 54.10 C ATOM 0 H LEU A 79 0.761 5.081 -9.382 1.00 34.11 H new ATOM 0 HA LEU A 79 0.438 4.959 -12.308 1.00 64.55 H new ATOM 0 HB2 LEU A 79 -1.372 4.030 -10.026 1.00 32.41 H new ATOM 0 HB3 LEU A 79 -1.680 3.761 -11.730 1.00 32.41 H new ATOM 0 HG LEU A 79 0.630 2.604 -10.129 1.00 72.21 H new ATOM 0 HD11 LEU A 79 -0.492 0.441 -10.508 1.00 14.45 H new ATOM 0 HD12 LEU A 79 -1.513 1.567 -9.581 1.00 14.45 H new ATOM 0 HD13 LEU A 79 -1.839 1.286 -11.308 1.00 14.45 H new ATOM 0 HD21 LEU A 79 1.130 1.292 -12.166 1.00 54.10 H new ATOM 0 HD22 LEU A 79 -0.139 2.182 -13.042 1.00 54.10 H new ATOM 0 HD23 LEU A 79 1.301 3.041 -12.446 1.00 54.10 H new ATOM 1256 N PHE A 80 -1.000 7.134 -10.368 1.00 74.20 N ATOM 1257 CA PHE A 80 -1.907 8.305 -10.322 1.00 71.24 C ATOM 1258 C PHE A 80 -1.228 9.571 -9.730 1.00 64.03 C ATOM 1259 O PHE A 80 -1.857 10.303 -8.965 1.00 25.51 O ATOM 1260 CB PHE A 80 -3.148 7.962 -9.475 1.00 12.32 C ATOM 1261 CG PHE A 80 -3.819 6.660 -9.851 1.00 72.44 C ATOM 1262 CD1 PHE A 80 -4.601 6.565 -10.996 1.00 43.32 C ATOM 1263 CD2 PHE A 80 -3.668 5.533 -9.055 1.00 73.42 C ATOM 1264 CE1 PHE A 80 -5.213 5.373 -11.335 1.00 14.55 C ATOM 1265 CE2 PHE A 80 -4.280 4.342 -9.392 1.00 13.02 C ATOM 1266 CZ PHE A 80 -5.052 4.261 -10.533 1.00 2.25 C ATOM 0 H PHE A 80 -0.438 7.005 -9.526 1.00 74.20 H new ATOM 0 HA PHE A 80 -2.186 8.531 -11.351 1.00 71.24 H new ATOM 0 HB2 PHE A 80 -2.856 7.917 -8.426 1.00 12.32 H new ATOM 0 HB3 PHE A 80 -3.873 8.771 -9.569 1.00 12.32 H new ATOM 0 HD1 PHE A 80 -4.732 7.431 -11.627 1.00 43.32 H new ATOM 0 HD2 PHE A 80 -3.064 5.588 -8.161 1.00 73.42 H new ATOM 0 HE1 PHE A 80 -5.818 5.312 -12.228 1.00 14.55 H new ATOM 0 HE2 PHE A 80 -4.154 3.474 -8.762 1.00 13.02 H new ATOM 0 HZ PHE A 80 -5.529 3.329 -10.798 1.00 2.25 H new ATOM 1276 N PRO A 81 0.040 9.883 -10.096 1.00 44.23 N ATOM 1277 CA PRO A 81 0.774 11.009 -9.487 1.00 32.41 C ATOM 1278 C PRO A 81 0.440 12.384 -10.099 1.00 51.43 C ATOM 1279 O PRO A 81 0.516 13.408 -9.414 1.00 0.53 O ATOM 1280 CB PRO A 81 2.232 10.642 -9.775 1.00 44.45 C ATOM 1281 CG PRO A 81 2.181 9.922 -11.084 1.00 44.23 C ATOM 1282 CD PRO A 81 0.856 9.191 -11.118 1.00 75.25 C ATOM 0 HA PRO A 81 0.522 11.126 -8.433 1.00 32.41 H new ATOM 0 HB2 PRO A 81 2.861 11.530 -9.834 1.00 44.45 H new ATOM 0 HB3 PRO A 81 2.646 10.010 -8.989 1.00 44.45 H new ATOM 0 HG2 PRO A 81 2.260 10.622 -11.916 1.00 44.23 H new ATOM 0 HG3 PRO A 81 3.013 9.223 -11.176 1.00 44.23 H new ATOM 0 HD2 PRO A 81 0.394 9.248 -12.104 1.00 75.25 H new ATOM 0 HD3 PRO A 81 0.977 8.134 -10.883 1.00 75.25 H new ATOM 1290 N ASP A 82 0.111 12.400 -11.397 1.00 11.14 N ATOM 1291 CA ASP A 82 -0.163 13.646 -12.144 1.00 51.50 C ATOM 1292 C ASP A 82 1.113 14.499 -12.350 1.00 22.14 C ATOM 1293 O ASP A 82 1.124 15.442 -13.143 1.00 75.14 O ATOM 1294 CB ASP A 82 -1.261 14.465 -11.442 1.00 64.12 C ATOM 1295 CG ASP A 82 -1.666 15.704 -12.225 1.00 61.00 C ATOM 1296 OD1 ASP A 82 -2.316 15.556 -13.279 1.00 4.02 O ATOM 1297 OD2 ASP A 82 -1.326 16.829 -11.798 1.00 33.44 O ATOM 0 H ASP A 82 0.026 11.555 -11.962 1.00 11.14 H new ATOM 0 HA ASP A 82 -0.517 13.359 -13.134 1.00 51.50 H new ATOM 0 HB2 ASP A 82 -2.137 13.834 -11.291 1.00 64.12 H new ATOM 0 HB3 ASP A 82 -0.909 14.764 -10.455 1.00 64.12 H new ATOM 1302 N THR A 83 2.192 14.155 -11.651 1.00 23.23 N ATOM 1303 CA THR A 83 3.461 14.886 -11.758 1.00 30.23 C ATOM 1304 C THR A 83 4.093 14.728 -13.155 1.00 12.32 C ATOM 1305 O THR A 83 4.361 13.612 -13.603 1.00 75.41 O ATOM 1306 CB THR A 83 4.474 14.404 -10.691 1.00 63.05 C ATOM 1307 OG1 THR A 83 4.668 12.986 -10.800 1.00 3.53 O ATOM 1308 CG2 THR A 83 3.992 14.744 -9.284 1.00 3.12 C ATOM 0 H THR A 83 2.217 13.370 -11.000 1.00 23.23 H new ATOM 0 HA THR A 83 3.230 15.938 -11.592 1.00 30.23 H new ATOM 0 HB THR A 83 5.419 14.917 -10.869 1.00 63.05 H new ATOM 0 HG1 THR A 83 4.615 12.720 -11.742 1.00 3.53 H new ATOM 0 HG21 THR A 83 4.723 14.394 -8.555 1.00 3.12 H new ATOM 0 HG22 THR A 83 3.875 15.824 -9.191 1.00 3.12 H new ATOM 0 HG23 THR A 83 3.034 14.258 -9.100 1.00 3.12 H new ATOM 1316 N PRO A 84 4.325 15.844 -13.877 1.00 11.43 N ATOM 1317 CA PRO A 84 4.910 15.806 -15.227 1.00 50.05 C ATOM 1318 C PRO A 84 6.366 15.324 -15.225 1.00 40.21 C ATOM 1319 O PRO A 84 7.247 15.983 -14.666 1.00 11.23 O ATOM 1320 CB PRO A 84 4.826 17.266 -15.710 1.00 44.35 C ATOM 1321 CG PRO A 84 3.897 17.946 -14.758 1.00 32.22 C ATOM 1322 CD PRO A 84 4.042 17.222 -13.448 1.00 50.01 C ATOM 0 HA PRO A 84 4.381 15.104 -15.871 1.00 50.05 H new ATOM 0 HB2 PRO A 84 5.808 17.738 -15.705 1.00 44.35 H new ATOM 0 HB3 PRO A 84 4.451 17.321 -16.732 1.00 44.35 H new ATOM 0 HG2 PRO A 84 4.151 19.001 -14.651 1.00 32.22 H new ATOM 0 HG3 PRO A 84 2.869 17.901 -15.117 1.00 32.22 H new ATOM 0 HD2 PRO A 84 4.851 17.633 -12.844 1.00 50.01 H new ATOM 0 HD3 PRO A 84 3.134 17.282 -12.848 1.00 50.01 H new ATOM 1330 N LEU A 85 6.618 14.170 -15.838 1.00 14.13 N ATOM 1331 CA LEU A 85 7.971 13.608 -15.908 1.00 61.31 C ATOM 1332 C LEU A 85 8.112 12.583 -17.045 1.00 51.10 C ATOM 1333 O LEU A 85 7.122 12.043 -17.542 1.00 45.20 O ATOM 1334 CB LEU A 85 8.361 12.977 -14.552 1.00 40.43 C ATOM 1335 CG LEU A 85 7.257 12.168 -13.827 1.00 25.30 C ATOM 1336 CD1 LEU A 85 6.800 10.961 -14.643 1.00 14.21 C ATOM 1337 CD2 LEU A 85 7.734 11.726 -12.446 1.00 53.31 C ATOM 0 H LEU A 85 5.904 13.603 -16.295 1.00 14.13 H new ATOM 0 HA LEU A 85 8.656 14.427 -16.128 1.00 61.31 H new ATOM 0 HB2 LEU A 85 9.216 12.320 -14.714 1.00 40.43 H new ATOM 0 HB3 LEU A 85 8.693 13.774 -13.887 1.00 40.43 H new ATOM 0 HG LEU A 85 6.397 12.828 -13.711 1.00 25.30 H new ATOM 0 HD11 LEU A 85 6.026 10.424 -14.096 1.00 14.21 H new ATOM 0 HD12 LEU A 85 6.401 11.299 -15.599 1.00 14.21 H new ATOM 0 HD13 LEU A 85 7.647 10.298 -14.817 1.00 14.21 H new ATOM 0 HD21 LEU A 85 6.944 11.159 -11.953 1.00 53.31 H new ATOM 0 HD22 LEU A 85 8.620 11.099 -12.550 1.00 53.31 H new ATOM 0 HD23 LEU A 85 7.979 12.604 -11.848 1.00 53.31 H new ATOM 1349 N ALA A 86 9.353 12.326 -17.454 1.00 22.54 N ATOM 1350 CA ALA A 86 9.653 11.291 -18.446 1.00 54.02 C ATOM 1351 C ALA A 86 10.470 10.155 -17.811 1.00 50.51 C ATOM 1352 O ALA A 86 11.636 10.340 -17.453 1.00 40.40 O ATOM 1353 CB ALA A 86 10.400 11.898 -19.631 1.00 21.31 C ATOM 0 H ALA A 86 10.174 12.824 -17.111 1.00 22.54 H new ATOM 0 HA ALA A 86 8.714 10.871 -18.808 1.00 54.02 H new ATOM 0 HB1 ALA A 86 10.617 11.119 -20.362 1.00 21.31 H new ATOM 0 HB2 ALA A 86 9.783 12.668 -20.094 1.00 21.31 H new ATOM 0 HB3 ALA A 86 11.334 12.341 -19.284 1.00 21.31 H new ATOM 1359 N LEU A 87 9.846 8.988 -17.655 1.00 45.15 N ATOM 1360 CA LEU A 87 10.487 7.834 -17.007 1.00 63.13 C ATOM 1361 C LEU A 87 11.635 7.265 -17.856 1.00 21.32 C ATOM 1362 O LEU A 87 12.655 6.828 -17.326 1.00 73.45 O ATOM 1363 CB LEU A 87 9.445 6.737 -16.741 1.00 71.42 C ATOM 1364 CG LEU A 87 8.251 7.162 -15.870 1.00 5.45 C ATOM 1365 CD1 LEU A 87 7.250 6.016 -15.720 1.00 2.34 C ATOM 1366 CD2 LEU A 87 8.727 7.649 -14.501 1.00 30.43 C ATOM 0 H LEU A 87 8.892 8.812 -17.969 1.00 45.15 H new ATOM 0 HA LEU A 87 10.910 8.179 -16.063 1.00 63.13 H new ATOM 0 HB2 LEU A 87 9.066 6.379 -17.698 1.00 71.42 H new ATOM 0 HB3 LEU A 87 9.943 5.895 -16.260 1.00 71.42 H new ATOM 0 HG LEU A 87 7.745 7.988 -16.369 1.00 5.45 H new ATOM 0 HD11 LEU A 87 6.415 6.341 -15.100 1.00 2.34 H new ATOM 0 HD12 LEU A 87 6.880 5.725 -16.703 1.00 2.34 H new ATOM 0 HD13 LEU A 87 7.741 5.164 -15.250 1.00 2.34 H new ATOM 0 HD21 LEU A 87 7.867 7.945 -13.901 1.00 30.43 H new ATOM 0 HD22 LEU A 87 9.263 6.846 -13.995 1.00 30.43 H new ATOM 0 HD23 LEU A 87 9.391 8.504 -14.630 1.00 30.43 H new ATOM 1378 N ASP A 88 11.460 7.280 -19.177 1.00 22.11 N ATOM 1379 CA ASP A 88 12.461 6.742 -20.103 1.00 2.33 C ATOM 1380 C ASP A 88 13.695 7.653 -20.245 1.00 23.22 C ATOM 1381 O ASP A 88 14.671 7.288 -20.908 1.00 14.34 O ATOM 1382 CB ASP A 88 11.819 6.483 -21.468 1.00 12.42 C ATOM 1383 CG ASP A 88 10.805 5.355 -21.407 1.00 34.21 C ATOM 1384 OD1 ASP A 88 9.674 5.585 -20.932 1.00 31.42 O ATOM 1385 OD2 ASP A 88 11.136 4.225 -21.824 1.00 31.50 O ATOM 0 H ASP A 88 10.631 7.660 -19.633 1.00 22.11 H new ATOM 0 HA ASP A 88 12.820 5.802 -19.683 1.00 2.33 H new ATOM 0 HB2 ASP A 88 11.331 7.392 -21.819 1.00 12.42 H new ATOM 0 HB3 ASP A 88 12.594 6.237 -22.194 1.00 12.42 H new ATOM 1390 N ALA A 89 13.655 8.836 -19.631 1.00 70.43 N ATOM 1391 CA ALA A 89 14.828 9.715 -19.591 1.00 33.45 C ATOM 1392 C ALA A 89 15.931 9.084 -18.730 1.00 20.24 C ATOM 1393 O ALA A 89 16.009 9.332 -17.525 1.00 33.44 O ATOM 1394 CB ALA A 89 14.454 11.097 -19.067 1.00 25.23 C ATOM 0 H ALA A 89 12.831 9.207 -19.158 1.00 70.43 H new ATOM 0 HA ALA A 89 15.206 9.835 -20.606 1.00 33.45 H new ATOM 0 HB1 ALA A 89 15.341 11.731 -19.047 1.00 25.23 H new ATOM 0 HB2 ALA A 89 13.704 11.543 -19.720 1.00 25.23 H new ATOM 0 HB3 ALA A 89 14.049 11.007 -18.059 1.00 25.23 H new ATOM 1400 N ASN A 90 16.775 8.267 -19.369 1.00 30.13 N ATOM 1401 CA ASN A 90 17.745 7.416 -18.664 1.00 22.44 C ATOM 1402 C ASN A 90 17.016 6.414 -17.749 1.00 13.32 C ATOM 1403 O ASN A 90 16.790 6.675 -16.562 1.00 71.53 O ATOM 1404 CB ASN A 90 18.753 8.254 -17.864 1.00 50.25 C ATOM 1405 CG ASN A 90 19.591 9.151 -18.754 1.00 14.13 C ATOM 1406 OD1 ASN A 90 20.650 8.762 -19.228 1.00 72.14 O ATOM 1407 ND2 ASN A 90 19.128 10.363 -18.986 1.00 60.24 N ATOM 0 H ASN A 90 16.807 8.176 -20.384 1.00 30.13 H new ATOM 0 HA ASN A 90 18.307 6.858 -19.413 1.00 22.44 H new ATOM 0 HB2 ASN A 90 18.218 8.865 -17.137 1.00 50.25 H new ATOM 0 HB3 ASN A 90 19.409 7.590 -17.301 1.00 50.25 H new ATOM 0 HD21 ASN A 90 19.656 11.007 -19.575 1.00 60.24 H new ATOM 0 HD22 ASN A 90 18.242 10.657 -18.576 1.00 60.24 H new ATOM 1414 N LYS A 91 16.641 5.274 -18.326 1.00 63.42 N ATOM 1415 CA LYS A 91 15.807 4.270 -17.646 1.00 54.41 C ATOM 1416 C LYS A 91 16.512 2.895 -17.586 1.00 71.13 C ATOM 1417 O LYS A 91 16.487 2.162 -18.603 1.00 37.25 O ATOM 1418 CB LYS A 91 14.457 4.161 -18.386 1.00 55.24 C ATOM 1419 CG LYS A 91 13.494 3.084 -17.876 1.00 42.22 C ATOM 1420 CD LYS A 91 12.857 3.417 -16.523 1.00 2.03 C ATOM 1421 CE LYS A 91 13.761 3.079 -15.343 1.00 23.54 C ATOM 1422 NZ LYS A 91 13.048 3.195 -14.045 1.00 11.24 N ATOM 1423 OXT LYS A 91 17.090 2.561 -16.524 1.00 37.25 O ATOM 0 H LYS A 91 16.904 5.015 -19.277 1.00 63.42 H new ATOM 0 HA LYS A 91 15.638 4.587 -16.617 1.00 54.41 H new ATOM 0 HB2 LYS A 91 13.954 5.126 -18.327 1.00 55.24 H new ATOM 0 HB3 LYS A 91 14.658 3.970 -19.440 1.00 55.24 H new ATOM 0 HG2 LYS A 91 12.704 2.937 -18.613 1.00 42.22 H new ATOM 0 HG3 LYS A 91 14.031 2.139 -17.792 1.00 42.22 H new ATOM 0 HD2 LYS A 91 12.612 4.479 -16.494 1.00 2.03 H new ATOM 0 HD3 LYS A 91 11.919 2.870 -16.424 1.00 2.03 H new ATOM 0 HE2 LYS A 91 14.143 2.064 -15.458 1.00 23.54 H new ATOM 0 HE3 LYS A 91 14.623 3.746 -15.344 1.00 23.54 H new ATOM 0 HZ1 LYS A 91 13.698 2.957 -13.269 1.00 11.24 H new ATOM 0 HZ2 LYS A 91 12.706 4.169 -13.923 1.00 11.24 H new ATOM 0 HZ3 LYS A 91 12.240 2.540 -14.033 1.00 11.24 H new TER 1437 LYS A 91