USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 664 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 73 TYR OH : rot -177:sc= 2.03 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -109:sc= 2.05 (180deg=-0.0452) USER MOD Set 2.1: A 19 HIS : no HE2:sc= -0.0112 K(o=0.063,f=-4.3) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.0742 K(o=0.063,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.714 (180deg=0.402) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 5 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.11) USER MOD Single : A 6 HIS : no HE2:sc= -0.377 K(o=-0.38,f=-1.2) USER MOD Single : A 7 HIS : no HE2:sc= 0.684 K(o=0.68,f=-2.9!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 36:sc= 0.129 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.00018) USER MOD Single : A 11 MET CE :methyl 138:sc= -0.533 (180deg=-2.01) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 52:sc= -0.0615 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -140:sc= -0.0488 USER MOD Single : A 24 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.0161 (180deg=-0.205) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 167:sc= -0.0536 (180deg=-0.306) USER MOD Single : A 34 ASN : amide:sc= 0.0762 K(o=0.076,f=-1) USER MOD Single : A 35 GLN :FLIP amide:sc= -1.36 F(o=-5.3!,f=-1.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.704 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 86:sc= 0.0811 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0713 F(o=-0.6,f=-0.071) USER MOD Single : A 55 SER OG : rot 180:sc= -0.278 USER MOD Single : A 56 THR OG1 : rot -91:sc= 1.16 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 71:sc= 0.265 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -1.6! (180deg=-3.83!) USER MOD Single : A 66 CYS SG : rot 175:sc= 0.661 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.962 (180deg=-2.61!) USER MOD Single : A 75 HIS : no HD1:sc=-0.00559 X(o=-0.0056,f=-0.3) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.0297 (180deg=-0.268) USER MOD Single : A 79 THR OG1 : rot 43:sc= 0.296 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.359 7.868 7.378 1.00 63.53 N ATOM 2 CA MET A 1 10.777 7.976 8.746 1.00 22.42 C ATOM 3 C MET A 1 11.504 7.064 9.744 1.00 72.34 C ATOM 4 O MET A 1 12.234 6.155 9.353 1.00 30.32 O ATOM 5 CB MET A 1 9.286 7.625 8.711 1.00 30.21 C ATOM 6 CG MET A 1 8.428 8.667 8.006 1.00 60.11 C ATOM 7 SD MET A 1 9.029 9.068 6.355 1.00 70.10 S ATOM 8 CE MET A 1 7.783 10.239 5.813 1.00 73.00 C ATOM 0 H1 MET A 1 10.745 8.362 6.699 1.00 63.53 H new ATOM 0 H2 MET A 1 12.304 8.301 7.368 1.00 63.53 H new ATOM 0 H3 MET A 1 11.435 6.866 7.111 1.00 63.53 H new ATOM 0 HA MET A 1 10.902 9.006 9.080 1.00 22.42 H new ATOM 0 HB2 MET A 1 9.160 6.665 8.211 1.00 30.21 H new ATOM 0 HB3 MET A 1 8.927 7.502 9.733 1.00 30.21 H new ATOM 0 HG2 MET A 1 7.404 8.300 7.935 1.00 60.11 H new ATOM 0 HG3 MET A 1 8.400 9.575 8.608 1.00 60.11 H new ATOM 0 HE1 MET A 1 8.018 10.579 4.804 1.00 73.00 H new ATOM 0 HE2 MET A 1 6.805 9.757 5.815 1.00 73.00 H new ATOM 0 HE3 MET A 1 7.768 11.093 6.490 1.00 73.00 H new ATOM 20 N GLY A 2 11.295 7.314 11.037 1.00 50.30 N ATOM 21 CA GLY A 2 11.942 6.517 12.073 1.00 74.22 C ATOM 22 C GLY A 2 13.451 6.733 12.135 1.00 12.22 C ATOM 23 O GLY A 2 13.933 7.607 12.861 1.00 32.11 O ATOM 0 H GLY A 2 10.688 8.055 11.387 1.00 50.30 H new ATOM 0 HA2 GLY A 2 11.505 6.765 13.040 1.00 74.22 H new ATOM 0 HA3 GLY A 2 11.739 5.462 11.892 1.00 74.22 H new ATOM 27 N HIS A 3 14.199 5.943 11.365 1.00 74.14 N ATOM 28 CA HIS A 3 15.665 6.045 11.324 1.00 62.55 C ATOM 29 C HIS A 3 16.191 6.193 9.886 1.00 25.13 C ATOM 30 O HIS A 3 15.540 5.786 8.918 1.00 3.20 O ATOM 31 CB HIS A 3 16.307 4.825 12.000 1.00 3.03 C ATOM 32 CG HIS A 3 16.212 4.853 13.495 1.00 63.33 C ATOM 33 ND1 HIS A 3 17.114 5.524 14.293 1.00 22.13 N ATOM 34 CD2 HIS A 3 15.322 4.284 14.339 1.00 41.02 C ATOM 35 CE1 HIS A 3 16.783 5.366 15.557 1.00 11.42 C ATOM 36 NE2 HIS A 3 15.701 4.620 15.613 1.00 12.14 N ATOM 0 H HIS A 3 13.815 5.220 10.756 1.00 74.14 H new ATOM 0 HA HIS A 3 15.943 6.946 11.871 1.00 62.55 H new ATOM 0 HB2 HIS A 3 15.826 3.919 11.630 1.00 3.03 H new ATOM 0 HB3 HIS A 3 17.357 4.770 11.711 1.00 3.03 H new ATOM 0 HD2 HIS A 3 14.472 3.678 14.062 1.00 41.02 H new ATOM 0 HE1 HIS A 3 17.310 5.779 16.404 1.00 11.42 H new ATOM 0 HE2 HIS A 3 15.221 4.337 16.467 1.00 12.14 H new ATOM 45 N HIS A 4 17.376 6.779 9.754 1.00 75.11 N ATOM 46 CA HIS A 4 17.996 6.988 8.446 1.00 62.10 C ATOM 47 C HIS A 4 18.725 5.716 7.976 1.00 41.25 C ATOM 48 O HIS A 4 19.946 5.589 8.105 1.00 4.24 O ATOM 49 CB HIS A 4 18.962 8.180 8.507 1.00 10.24 C ATOM 50 CG HIS A 4 19.573 8.525 7.185 1.00 52.04 C ATOM 51 ND1 HIS A 4 20.902 8.317 6.894 1.00 25.15 N ATOM 52 CD2 HIS A 4 19.030 9.066 6.069 1.00 22.41 C ATOM 53 CE1 HIS A 4 21.149 8.710 5.663 1.00 41.52 C ATOM 54 NE2 HIS A 4 20.032 9.169 5.137 1.00 41.51 N ATOM 0 H HIS A 4 17.930 7.120 10.539 1.00 75.11 H new ATOM 0 HA HIS A 4 17.213 7.210 7.721 1.00 62.10 H new ATOM 0 HB2 HIS A 4 18.428 9.050 8.889 1.00 10.24 H new ATOM 0 HB3 HIS A 4 19.757 7.956 9.218 1.00 10.24 H new ATOM 0 HD2 HIS A 4 18.000 9.362 5.937 1.00 22.41 H new ATOM 0 HE1 HIS A 4 22.107 8.664 5.167 1.00 41.52 H new ATOM 0 HE2 HIS A 4 19.929 9.540 4.192 1.00 41.51 H new ATOM 63 N HIS A 5 17.953 4.765 7.454 1.00 53.41 N ATOM 64 CA HIS A 5 18.491 3.470 7.018 1.00 15.24 C ATOM 65 C HIS A 5 19.230 3.567 5.669 1.00 73.42 C ATOM 66 O HIS A 5 18.872 4.366 4.801 1.00 14.42 O ATOM 67 CB HIS A 5 17.364 2.429 6.934 1.00 71.32 C ATOM 68 CG HIS A 5 16.264 2.796 5.983 1.00 31.12 C ATOM 69 ND1 HIS A 5 16.252 2.410 4.660 1.00 31.54 N ATOM 70 CD2 HIS A 5 15.132 3.520 6.167 1.00 44.05 C ATOM 71 CE1 HIS A 5 15.170 2.877 4.075 1.00 1.44 C ATOM 72 NE2 HIS A 5 14.474 3.551 4.964 1.00 71.41 N ATOM 0 H HIS A 5 16.947 4.864 7.321 1.00 53.41 H new ATOM 0 HA HIS A 5 19.221 3.155 7.763 1.00 15.24 H new ATOM 0 HB2 HIS A 5 17.789 1.472 6.630 1.00 71.32 H new ATOM 0 HB3 HIS A 5 16.939 2.288 7.928 1.00 71.32 H new ATOM 0 HD2 HIS A 5 14.810 3.984 7.087 1.00 44.05 H new ATOM 0 HE1 HIS A 5 14.899 2.731 3.040 1.00 1.44 H new ATOM 0 HE2 HIS A 5 13.587 4.022 4.787 1.00 71.41 H new ATOM 81 N HIS A 6 20.254 2.727 5.498 1.00 0.22 N ATOM 82 CA HIS A 6 21.083 2.729 4.281 1.00 33.13 C ATOM 83 C HIS A 6 20.731 1.554 3.346 1.00 41.14 C ATOM 84 O HIS A 6 20.765 0.397 3.759 1.00 22.11 O ATOM 85 CB HIS A 6 22.578 2.687 4.658 1.00 74.03 C ATOM 86 CG HIS A 6 22.940 1.597 5.632 1.00 51.24 C ATOM 87 ND1 HIS A 6 23.110 0.278 5.267 1.00 73.00 N ATOM 88 CD2 HIS A 6 23.167 1.637 6.971 1.00 4.21 C ATOM 89 CE1 HIS A 6 23.418 -0.438 6.329 1.00 4.31 C ATOM 90 NE2 HIS A 6 23.461 0.359 7.373 1.00 25.04 N ATOM 0 H HIS A 6 20.533 2.031 6.189 1.00 0.22 H new ATOM 0 HA HIS A 6 20.875 3.651 3.739 1.00 33.13 H new ATOM 0 HB2 HIS A 6 23.166 2.557 3.750 1.00 74.03 H new ATOM 0 HB3 HIS A 6 22.860 3.649 5.086 1.00 74.03 H new ATOM 0 HD1 HIS A 6 23.012 -0.087 4.320 1.00 73.00 H new ATOM 0 HD2 HIS A 6 23.124 2.513 7.602 1.00 4.21 H new ATOM 0 HE1 HIS A 6 23.604 -1.502 6.340 1.00 4.31 H new ATOM 99 N HIS A 7 20.413 1.862 2.081 1.00 41.31 N ATOM 100 CA HIS A 7 19.992 0.832 1.111 1.00 1.15 C ATOM 101 C HIS A 7 19.877 1.388 -0.326 1.00 5.41 C ATOM 102 O HIS A 7 20.389 0.785 -1.268 1.00 33.24 O ATOM 103 CB HIS A 7 18.645 0.211 1.537 1.00 23.31 C ATOM 104 CG HIS A 7 18.722 -1.252 1.874 1.00 44.22 C ATOM 105 ND1 HIS A 7 19.278 -1.731 3.040 1.00 4.23 N ATOM 106 CD2 HIS A 7 18.295 -2.343 1.195 1.00 70.53 C ATOM 107 CE1 HIS A 7 19.188 -3.044 3.065 1.00 54.23 C ATOM 108 NE2 HIS A 7 18.595 -3.443 1.958 1.00 20.55 N ATOM 0 H HIS A 7 20.438 2.809 1.704 1.00 41.31 H new ATOM 0 HA HIS A 7 20.767 0.065 1.107 1.00 1.15 H new ATOM 0 HB2 HIS A 7 18.265 0.753 2.403 1.00 23.31 H new ATOM 0 HB3 HIS A 7 17.923 0.350 0.733 1.00 23.31 H new ATOM 0 HD1 HIS A 7 19.695 -1.156 3.772 1.00 4.23 H new ATOM 0 HD2 HIS A 7 17.808 -2.347 0.231 1.00 70.53 H new ATOM 0 HE1 HIS A 7 19.541 -3.686 3.859 1.00 54.23 H new ATOM 117 N HIS A 8 19.207 2.541 -0.476 1.00 42.35 N ATOM 118 CA HIS A 8 18.881 3.115 -1.800 1.00 22.05 C ATOM 119 C HIS A 8 17.761 2.306 -2.483 1.00 71.41 C ATOM 120 O HIS A 8 17.832 1.980 -3.670 1.00 22.05 O ATOM 121 CB HIS A 8 20.121 3.194 -2.715 1.00 72.20 C ATOM 122 CG HIS A 8 21.205 4.102 -2.212 1.00 42.04 C ATOM 123 ND1 HIS A 8 22.316 3.649 -1.537 1.00 63.45 N ATOM 124 CD2 HIS A 8 21.355 5.444 -2.312 1.00 13.41 C ATOM 125 CE1 HIS A 8 23.101 4.667 -1.244 1.00 64.44 C ATOM 126 NE2 HIS A 8 22.544 5.768 -1.703 1.00 2.42 N ATOM 0 H HIS A 8 18.876 3.102 0.309 1.00 42.35 H new ATOM 0 HA HIS A 8 18.530 4.133 -1.633 1.00 22.05 H new ATOM 0 HB2 HIS A 8 20.531 2.192 -2.838 1.00 72.20 H new ATOM 0 HB3 HIS A 8 19.808 3.534 -3.702 1.00 72.20 H new ATOM 0 HD2 HIS A 8 20.668 6.132 -2.783 1.00 13.41 H new ATOM 0 HE1 HIS A 8 24.042 4.608 -0.717 1.00 64.44 H new ATOM 0 HE2 HIS A 8 22.931 6.708 -1.620 1.00 2.42 H new ATOM 135 N SER A 9 16.720 2.001 -1.715 1.00 20.44 N ATOM 136 CA SER A 9 15.581 1.209 -2.198 1.00 45.32 C ATOM 137 C SER A 9 14.571 2.068 -2.977 1.00 41.43 C ATOM 138 O SER A 9 14.037 3.052 -2.455 1.00 61.01 O ATOM 139 CB SER A 9 14.877 0.531 -1.013 1.00 35.21 C ATOM 140 OG SER A 9 14.535 1.476 -0.008 1.00 55.22 O ATOM 0 H SER A 9 16.637 2.293 -0.741 1.00 20.44 H new ATOM 0 HA SER A 9 15.972 0.454 -2.881 1.00 45.32 H new ATOM 0 HB2 SER A 9 13.976 0.026 -1.362 1.00 35.21 H new ATOM 0 HB3 SER A 9 15.528 -0.234 -0.590 1.00 35.21 H new ATOM 0 HG SER A 9 14.271 2.321 -0.429 1.00 55.22 H new ATOM 146 N HIS A 10 14.292 1.682 -4.223 1.00 2.22 N ATOM 147 CA HIS A 10 13.348 2.424 -5.070 1.00 5.44 C ATOM 148 C HIS A 10 11.887 2.050 -4.769 1.00 73.12 C ATOM 149 O HIS A 10 11.167 1.560 -5.638 1.00 72.10 O ATOM 150 CB HIS A 10 13.663 2.192 -6.555 1.00 21.02 C ATOM 151 CG HIS A 10 14.918 2.869 -7.021 1.00 44.40 C ATOM 152 ND1 HIS A 10 14.920 3.898 -7.937 1.00 54.44 N ATOM 153 CD2 HIS A 10 16.218 2.656 -6.700 1.00 44.21 C ATOM 154 CE1 HIS A 10 16.158 4.288 -8.160 1.00 12.35 C ATOM 155 NE2 HIS A 10 16.963 3.554 -7.423 1.00 31.21 N ATOM 0 H HIS A 10 14.703 0.863 -4.670 1.00 2.22 H new ATOM 0 HA HIS A 10 13.469 3.483 -4.841 1.00 5.44 H new ATOM 0 HB2 HIS A 10 13.751 1.121 -6.735 1.00 21.02 H new ATOM 0 HB3 HIS A 10 12.825 2.548 -7.154 1.00 21.02 H new ATOM 0 HD2 HIS A 10 16.596 1.919 -6.007 1.00 44.21 H new ATOM 0 HE1 HIS A 10 16.461 5.076 -8.833 1.00 12.35 H new ATOM 0 HE2 HIS A 10 17.979 3.639 -7.393 1.00 31.21 H new ATOM 164 N MET A 11 11.459 2.286 -3.530 1.00 25.34 N ATOM 165 CA MET A 11 10.060 2.066 -3.137 1.00 44.42 C ATOM 166 C MET A 11 9.308 3.397 -2.977 1.00 44.02 C ATOM 167 O MET A 11 8.084 3.421 -2.837 1.00 11.13 O ATOM 168 CB MET A 11 9.991 1.238 -1.846 1.00 41.54 C ATOM 169 CG MET A 11 10.826 1.793 -0.696 1.00 75.21 C ATOM 170 SD MET A 11 10.801 0.723 0.761 1.00 41.34 S ATOM 171 CE MET A 11 11.418 -0.813 0.068 1.00 30.52 C ATOM 0 H MET A 11 12.057 2.629 -2.778 1.00 25.34 H new ATOM 0 HA MET A 11 9.569 1.506 -3.933 1.00 44.42 H new ATOM 0 HB2 MET A 11 8.951 1.173 -1.526 1.00 41.54 H new ATOM 0 HB3 MET A 11 10.322 0.222 -2.062 1.00 41.54 H new ATOM 0 HG2 MET A 11 11.856 1.923 -1.029 1.00 75.21 H new ATOM 0 HG3 MET A 11 10.452 2.780 -0.424 1.00 75.21 H new ATOM 0 HE1 MET A 11 12.125 -1.268 0.762 1.00 30.52 H new ATOM 0 HE2 MET A 11 10.586 -1.496 -0.102 1.00 30.52 H new ATOM 0 HE3 MET A 11 11.919 -0.610 -0.878 1.00 30.52 H new ATOM 181 N LEU A 12 10.052 4.506 -2.976 1.00 25.43 N ATOM 182 CA LEU A 12 9.446 5.843 -3.012 1.00 21.02 C ATOM 183 C LEU A 12 9.154 6.258 -4.471 1.00 2.41 C ATOM 184 O LEU A 12 8.072 6.771 -4.767 1.00 51.12 O ATOM 185 CB LEU A 12 10.335 6.889 -2.305 1.00 24.44 C ATOM 186 CG LEU A 12 10.485 6.725 -0.778 1.00 60.41 C ATOM 187 CD1 LEU A 12 11.305 5.485 -0.431 1.00 23.00 C ATOM 188 CD2 LEU A 12 11.115 7.973 -0.162 1.00 14.42 C ATOM 0 H LEU A 12 11.072 4.507 -2.951 1.00 25.43 H new ATOM 0 HA LEU A 12 8.503 5.801 -2.467 1.00 21.02 H new ATOM 0 HB2 LEU A 12 11.328 6.856 -2.754 1.00 24.44 H new ATOM 0 HB3 LEU A 12 9.927 7.880 -2.506 1.00 24.44 H new ATOM 0 HG LEU A 12 9.488 6.595 -0.358 1.00 60.41 H new ATOM 0 HD11 LEU A 12 11.392 5.398 0.652 1.00 23.00 H new ATOM 0 HD12 LEU A 12 10.810 4.599 -0.828 1.00 23.00 H new ATOM 0 HD13 LEU A 12 12.299 5.572 -0.869 1.00 23.00 H new ATOM 0 HD21 LEU A 12 11.212 7.838 0.915 1.00 14.42 H new ATOM 0 HD22 LEU A 12 12.101 8.136 -0.598 1.00 14.42 H new ATOM 0 HD23 LEU A 12 10.482 8.837 -0.363 1.00 14.42 H new ATOM 200 N PRO A 13 10.121 6.072 -5.405 1.00 35.23 N ATOM 201 CA PRO A 13 9.846 6.150 -6.844 1.00 22.35 C ATOM 202 C PRO A 13 9.380 4.787 -7.407 1.00 24.33 C ATOM 203 O PRO A 13 10.008 3.757 -7.151 1.00 13.30 O ATOM 204 CB PRO A 13 11.207 6.544 -7.418 1.00 61.31 C ATOM 205 CG PRO A 13 12.199 5.885 -6.517 1.00 22.23 C ATOM 206 CD PRO A 13 11.560 5.825 -5.147 1.00 75.31 C ATOM 0 HA PRO A 13 9.046 6.847 -7.093 1.00 22.35 H new ATOM 0 HB2 PRO A 13 11.317 6.202 -8.447 1.00 61.31 H new ATOM 0 HB3 PRO A 13 11.336 7.626 -7.426 1.00 61.31 H new ATOM 0 HG2 PRO A 13 12.444 4.885 -6.875 1.00 22.23 H new ATOM 0 HG3 PRO A 13 13.131 6.450 -6.486 1.00 22.23 H new ATOM 0 HD2 PRO A 13 11.719 4.855 -4.676 1.00 75.31 H new ATOM 0 HD3 PRO A 13 11.979 6.577 -4.479 1.00 75.31 H new ATOM 214 N PRO A 14 8.278 4.753 -8.181 1.00 14.32 N ATOM 215 CA PRO A 14 7.698 3.485 -8.671 1.00 4.01 C ATOM 216 C PRO A 14 8.630 2.698 -9.620 1.00 12.31 C ATOM 217 O PRO A 14 8.580 2.863 -10.842 1.00 65.22 O ATOM 218 CB PRO A 14 6.417 3.935 -9.399 1.00 60.43 C ATOM 219 CG PRO A 14 6.658 5.368 -9.749 1.00 14.12 C ATOM 220 CD PRO A 14 7.509 5.926 -8.637 1.00 54.31 C ATOM 0 HA PRO A 14 7.520 2.789 -7.851 1.00 4.01 H new ATOM 0 HB2 PRO A 14 6.238 3.335 -10.291 1.00 60.43 H new ATOM 0 HB3 PRO A 14 5.540 3.826 -8.760 1.00 60.43 H new ATOM 0 HG2 PRO A 14 7.164 5.456 -10.710 1.00 14.12 H new ATOM 0 HG3 PRO A 14 5.718 5.913 -9.833 1.00 14.12 H new ATOM 0 HD2 PRO A 14 8.163 6.723 -8.991 1.00 54.31 H new ATOM 0 HD3 PRO A 14 6.901 6.345 -7.836 1.00 54.31 H new ATOM 228 N GLU A 15 9.497 1.858 -9.048 1.00 23.15 N ATOM 229 CA GLU A 15 10.349 0.966 -9.846 1.00 14.51 C ATOM 230 C GLU A 15 9.715 -0.426 -10.003 1.00 52.33 C ATOM 231 O GLU A 15 9.260 -0.794 -11.089 1.00 5.41 O ATOM 232 CB GLU A 15 11.747 0.829 -9.217 1.00 50.12 C ATOM 233 CG GLU A 15 12.653 -0.145 -9.971 1.00 51.15 C ATOM 234 CD GLU A 15 14.029 -0.304 -9.343 1.00 2.52 C ATOM 235 OE1 GLU A 15 14.183 -1.141 -8.425 1.00 24.23 O ATOM 236 OE2 GLU A 15 14.973 0.387 -9.782 1.00 34.21 O ATOM 0 H GLU A 15 9.629 1.775 -8.040 1.00 23.15 H new ATOM 0 HA GLU A 15 10.447 1.416 -10.834 1.00 14.51 H new ATOM 0 HB2 GLU A 15 12.223 1.809 -9.187 1.00 50.12 H new ATOM 0 HB3 GLU A 15 11.643 0.494 -8.185 1.00 50.12 H new ATOM 0 HG2 GLU A 15 12.168 -1.120 -10.015 1.00 51.15 H new ATOM 0 HG3 GLU A 15 12.769 0.200 -10.998 1.00 51.15 H new ATOM 243 N GLN A 16 9.674 -1.191 -8.912 1.00 22.21 N ATOM 244 CA GLN A 16 9.189 -2.575 -8.956 1.00 21.23 C ATOM 245 C GLN A 16 8.269 -2.909 -7.769 1.00 1.30 C ATOM 246 O GLN A 16 8.685 -2.862 -6.609 1.00 72.13 O ATOM 247 CB GLN A 16 10.382 -3.543 -8.974 1.00 11.11 C ATOM 248 CG GLN A 16 9.985 -5.014 -9.081 1.00 52.13 C ATOM 249 CD GLN A 16 11.188 -5.940 -9.114 1.00 12.21 C ATOM 250 OE1 GLN A 16 11.656 -6.412 -8.083 1.00 41.13 O ATOM 251 NE2 GLN A 16 11.705 -6.198 -10.297 1.00 70.25 N ATOM 0 H GLN A 16 9.970 -0.878 -7.987 1.00 22.21 H new ATOM 0 HA GLN A 16 8.602 -2.686 -9.867 1.00 21.23 H new ATOM 0 HB2 GLN A 16 11.030 -3.290 -9.813 1.00 11.11 H new ATOM 0 HB3 GLN A 16 10.967 -3.400 -8.065 1.00 11.11 H new ATOM 0 HG2 GLN A 16 9.350 -5.278 -8.235 1.00 52.13 H new ATOM 0 HG3 GLN A 16 9.392 -5.162 -9.983 1.00 52.13 H new ATOM 0 HE21 GLN A 16 11.291 -5.789 -11.135 1.00 70.25 H new ATOM 0 HE22 GLN A 16 12.519 -6.807 -10.376 1.00 70.25 H new ATOM 260 N TRP A 17 7.019 -3.243 -8.075 1.00 53.35 N ATOM 261 CA TRP A 17 6.050 -3.702 -7.068 1.00 70.24 C ATOM 262 C TRP A 17 5.411 -5.034 -7.502 1.00 74.15 C ATOM 263 O TRP A 17 4.745 -5.107 -8.538 1.00 42.11 O ATOM 264 CB TRP A 17 4.957 -2.641 -6.845 1.00 43.05 C ATOM 265 CG TRP A 17 5.450 -1.387 -6.176 1.00 64.54 C ATOM 266 CD1 TRP A 17 6.163 -0.370 -6.748 1.00 52.32 C ATOM 267 CD2 TRP A 17 5.260 -1.019 -4.804 1.00 54.25 C ATOM 268 NE1 TRP A 17 6.429 0.602 -5.814 1.00 5.41 N ATOM 269 CE2 TRP A 17 5.882 0.227 -4.614 1.00 42.12 C ATOM 270 CE3 TRP A 17 4.622 -1.626 -3.717 1.00 52.32 C ATOM 271 CZ2 TRP A 17 5.886 0.879 -3.384 1.00 74.43 C ATOM 272 CZ3 TRP A 17 4.625 -0.979 -2.497 1.00 51.43 C ATOM 273 CH2 TRP A 17 5.254 0.263 -2.339 1.00 2.13 C ATOM 0 H TRP A 17 6.644 -3.206 -9.023 1.00 53.35 H new ATOM 0 HA TRP A 17 6.582 -3.858 -6.130 1.00 70.24 H new ATOM 0 HB2 TRP A 17 4.518 -2.379 -7.807 1.00 43.05 H new ATOM 0 HB3 TRP A 17 4.162 -3.075 -6.239 1.00 43.05 H new ATOM 0 HD1 TRP A 17 6.472 -0.336 -7.782 1.00 52.32 H new ATOM 0 HE1 TRP A 17 6.949 1.463 -5.985 1.00 5.41 H new ATOM 0 HE3 TRP A 17 4.136 -2.584 -3.830 1.00 52.32 H new ATOM 0 HZ2 TRP A 17 6.370 1.836 -3.259 1.00 74.43 H new ATOM 0 HZ3 TRP A 17 4.135 -1.438 -1.651 1.00 51.43 H new ATOM 0 HH2 TRP A 17 5.240 0.744 -1.372 1.00 2.13 H new ATOM 284 N SER A 18 5.630 -6.089 -6.719 1.00 40.22 N ATOM 285 CA SER A 18 5.083 -7.421 -7.029 1.00 12.24 C ATOM 286 C SER A 18 3.743 -7.656 -6.309 1.00 3.41 C ATOM 287 O SER A 18 3.208 -6.758 -5.657 1.00 50.52 O ATOM 288 CB SER A 18 6.095 -8.507 -6.626 1.00 32.32 C ATOM 289 OG SER A 18 5.619 -9.810 -6.928 1.00 23.31 O ATOM 0 H SER A 18 6.183 -6.053 -5.862 1.00 40.22 H new ATOM 0 HA SER A 18 4.902 -7.473 -8.103 1.00 12.24 H new ATOM 0 HB2 SER A 18 7.038 -8.335 -7.145 1.00 32.32 H new ATOM 0 HB3 SER A 18 6.301 -8.434 -5.558 1.00 32.32 H new ATOM 0 HG SER A 18 5.335 -9.845 -7.865 1.00 23.31 H new ATOM 295 N HIS A 19 3.200 -8.872 -6.423 1.00 72.44 N ATOM 296 CA HIS A 19 1.925 -9.216 -5.775 1.00 33.42 C ATOM 297 C HIS A 19 1.968 -8.942 -4.260 1.00 3.40 C ATOM 298 O HIS A 19 1.190 -8.136 -3.739 1.00 70.35 O ATOM 299 CB HIS A 19 1.569 -10.695 -6.014 1.00 50.03 C ATOM 300 CG HIS A 19 1.123 -11.018 -7.413 1.00 65.22 C ATOM 301 ND1 HIS A 19 0.153 -11.958 -7.684 1.00 74.24 N ATOM 302 CD2 HIS A 19 1.519 -10.534 -8.615 1.00 11.11 C ATOM 303 CE1 HIS A 19 -0.027 -12.039 -8.986 1.00 52.35 C ATOM 304 NE2 HIS A 19 0.789 -11.189 -9.576 1.00 41.10 N ATOM 0 H HIS A 19 3.620 -9.634 -6.955 1.00 72.44 H new ATOM 0 HA HIS A 19 1.159 -8.583 -6.223 1.00 33.42 H new ATOM 0 HB2 HIS A 19 2.439 -11.307 -5.775 1.00 50.03 H new ATOM 0 HB3 HIS A 19 0.778 -10.980 -5.320 1.00 50.03 H new ATOM 0 HD1 HIS A 19 -0.348 -12.506 -6.985 1.00 74.24 H new ATOM 0 HD2 HIS A 19 2.268 -9.775 -8.785 1.00 11.11 H new ATOM 0 HE1 HIS A 19 -0.726 -12.693 -9.486 1.00 52.35 H new ATOM 313 N THR A 20 2.884 -9.615 -3.570 1.00 55.32 N ATOM 314 CA THR A 20 2.993 -9.528 -2.106 1.00 72.24 C ATOM 315 C THR A 20 3.585 -8.190 -1.634 1.00 54.20 C ATOM 316 O THR A 20 3.281 -7.726 -0.536 1.00 75.13 O ATOM 317 CB THR A 20 3.861 -10.680 -1.547 1.00 35.31 C ATOM 318 OG1 THR A 20 3.361 -11.939 -2.019 1.00 51.41 O ATOM 319 CG2 THR A 20 3.872 -10.676 -0.019 1.00 11.23 C ATOM 0 H THR A 20 3.571 -10.234 -4.001 1.00 55.32 H new ATOM 0 HA THR A 20 1.975 -9.606 -1.724 1.00 72.24 H new ATOM 0 HB THR A 20 4.883 -10.532 -1.897 1.00 35.31 H new ATOM 0 HG1 THR A 20 3.915 -12.665 -1.664 1.00 51.41 H new ATOM 0 HG21 THR A 20 4.491 -11.497 0.343 1.00 11.23 H new ATOM 0 HG22 THR A 20 4.279 -9.730 0.339 1.00 11.23 H new ATOM 0 HG23 THR A 20 2.854 -10.797 0.352 1.00 11.23 H new ATOM 327 N THR A 21 4.416 -7.568 -2.471 1.00 23.33 N ATOM 328 CA THR A 21 5.134 -6.329 -2.104 1.00 45.11 C ATOM 329 C THR A 21 4.204 -5.262 -1.495 1.00 44.43 C ATOM 330 O THR A 21 4.537 -4.626 -0.493 1.00 73.42 O ATOM 331 CB THR A 21 5.850 -5.713 -3.331 1.00 31.34 C ATOM 332 OG1 THR A 21 6.623 -6.716 -4.010 1.00 22.02 O ATOM 333 CG2 THR A 21 6.765 -4.565 -2.919 1.00 12.20 C ATOM 0 H THR A 21 4.615 -7.898 -3.415 1.00 23.33 H new ATOM 0 HA THR A 21 5.865 -6.623 -1.351 1.00 45.11 H new ATOM 0 HB THR A 21 5.083 -5.324 -4.001 1.00 31.34 H new ATOM 0 HG1 THR A 21 7.476 -6.331 -4.301 1.00 22.02 H new ATOM 0 HG21 THR A 21 7.253 -4.154 -3.803 1.00 12.20 H new ATOM 0 HG22 THR A 21 6.176 -3.786 -2.434 1.00 12.20 H new ATOM 0 HG23 THR A 21 7.521 -4.933 -2.225 1.00 12.20 H new ATOM 341 N VAL A 22 3.034 -5.081 -2.105 1.00 11.11 N ATOM 342 CA VAL A 22 2.057 -4.078 -1.654 1.00 22.40 C ATOM 343 C VAL A 22 1.534 -4.368 -0.231 1.00 65.03 C ATOM 344 O VAL A 22 1.177 -3.450 0.513 1.00 31.43 O ATOM 345 CB VAL A 22 0.862 -3.997 -2.638 1.00 23.31 C ATOM 346 CG1 VAL A 22 -0.160 -2.956 -2.182 1.00 32.54 C ATOM 347 CG2 VAL A 22 1.349 -3.695 -4.058 1.00 25.23 C ATOM 0 H VAL A 22 2.733 -5.617 -2.919 1.00 11.11 H new ATOM 0 HA VAL A 22 2.579 -3.121 -1.631 1.00 22.40 H new ATOM 0 HB VAL A 22 0.368 -4.968 -2.645 1.00 23.31 H new ATOM 0 HG11 VAL A 22 -0.986 -2.922 -2.892 1.00 32.54 H new ATOM 0 HG12 VAL A 22 -0.539 -3.226 -1.196 1.00 32.54 H new ATOM 0 HG13 VAL A 22 0.316 -1.977 -2.132 1.00 32.54 H new ATOM 0 HG21 VAL A 22 0.494 -3.643 -4.732 1.00 25.23 H new ATOM 0 HG22 VAL A 22 1.877 -2.741 -4.066 1.00 25.23 H new ATOM 0 HG23 VAL A 22 2.023 -4.486 -4.387 1.00 25.23 H new ATOM 357 N ARG A 23 1.513 -5.645 0.153 1.00 52.15 N ATOM 358 CA ARG A 23 0.997 -6.057 1.468 1.00 32.40 C ATOM 359 C ARG A 23 1.786 -5.404 2.618 1.00 13.22 C ATOM 360 O ARG A 23 1.232 -5.124 3.685 1.00 42.21 O ATOM 361 CB ARG A 23 1.054 -7.586 1.593 1.00 62.11 C ATOM 362 CG ARG A 23 0.470 -8.118 2.897 1.00 44.32 C ATOM 363 CD ARG A 23 0.556 -9.637 2.980 1.00 12.54 C ATOM 364 NE ARG A 23 -0.094 -10.152 4.184 1.00 34.41 N ATOM 365 CZ ARG A 23 -0.122 -11.411 4.526 1.00 62.33 C ATOM 366 NH1 ARG A 23 0.444 -12.309 3.784 1.00 44.40 N ATOM 367 NH2 ARG A 23 -0.740 -11.774 5.602 1.00 14.00 N ATOM 0 H ARG A 23 1.847 -6.416 -0.426 1.00 52.15 H new ATOM 0 HA ARG A 23 -0.037 -5.722 1.543 1.00 32.40 H new ATOM 0 HB2 ARG A 23 0.515 -8.030 0.756 1.00 62.11 H new ATOM 0 HB3 ARG A 23 2.092 -7.910 1.511 1.00 62.11 H new ATOM 0 HG2 ARG A 23 1.003 -7.678 3.740 1.00 44.32 H new ATOM 0 HG3 ARG A 23 -0.572 -7.808 2.981 1.00 44.32 H new ATOM 0 HD2 ARG A 23 0.089 -10.076 2.099 1.00 12.54 H new ATOM 0 HD3 ARG A 23 1.602 -9.943 2.972 1.00 12.54 H new ATOM 0 HE ARG A 23 -0.557 -9.482 4.798 1.00 34.41 H new ATOM 0 HH11 ARG A 23 0.917 -12.035 2.923 1.00 44.40 H new ATOM 0 HH12 ARG A 23 0.416 -13.290 4.060 1.00 44.40 H new ATOM 0 HH21 ARG A 23 -1.205 -11.076 6.183 1.00 14.00 H new ATOM 0 HH22 ARG A 23 -0.762 -12.758 5.870 1.00 14.00 H new ATOM 381 N ASN A 24 3.074 -5.156 2.381 1.00 51.02 N ATOM 382 CA ASN A 24 3.955 -4.539 3.382 1.00 75.13 C ATOM 383 C ASN A 24 3.400 -3.187 3.866 1.00 2.53 C ATOM 384 O ASN A 24 3.467 -2.865 5.053 1.00 22.02 O ATOM 385 CB ASN A 24 5.360 -4.343 2.796 1.00 33.41 C ATOM 386 CG ASN A 24 5.967 -5.640 2.288 1.00 34.30 C ATOM 387 OD1 ASN A 24 5.719 -6.715 2.823 1.00 34.03 O ATOM 388 ND2 ASN A 24 6.764 -5.554 1.243 1.00 11.13 N ATOM 0 H ASN A 24 3.537 -5.374 1.498 1.00 51.02 H new ATOM 0 HA ASN A 24 4.006 -5.210 4.239 1.00 75.13 H new ATOM 0 HB2 ASN A 24 5.312 -3.624 1.978 1.00 33.41 H new ATOM 0 HB3 ASN A 24 6.011 -3.915 3.558 1.00 33.41 H new ATOM 0 HD21 ASN A 24 7.193 -6.396 0.858 1.00 11.13 H new ATOM 0 HD22 ASN A 24 6.952 -4.646 0.818 1.00 11.13 H new ATOM 395 N ALA A 25 2.841 -2.410 2.938 1.00 64.25 N ATOM 396 CA ALA A 25 2.289 -1.089 3.259 1.00 55.13 C ATOM 397 C ALA A 25 1.069 -1.192 4.188 1.00 4.33 C ATOM 398 O ALA A 25 0.938 -0.429 5.148 1.00 31.10 O ATOM 399 CB ALA A 25 1.917 -0.351 1.977 1.00 63.02 C ATOM 0 H ALA A 25 2.757 -2.671 1.956 1.00 64.25 H new ATOM 0 HA ALA A 25 3.058 -0.527 3.788 1.00 55.13 H new ATOM 0 HB1 ALA A 25 1.508 0.628 2.226 1.00 63.02 H new ATOM 0 HB2 ALA A 25 2.805 -0.226 1.358 1.00 63.02 H new ATOM 0 HB3 ALA A 25 1.171 -0.927 1.429 1.00 63.02 H new ATOM 405 N LEU A 26 0.186 -2.149 3.904 1.00 15.25 N ATOM 406 CA LEU A 26 -1.038 -2.336 4.691 1.00 10.34 C ATOM 407 C LEU A 26 -0.731 -2.647 6.167 1.00 13.40 C ATOM 408 O LEU A 26 -1.448 -2.198 7.062 1.00 1.01 O ATOM 409 CB LEU A 26 -1.904 -3.450 4.084 1.00 44.23 C ATOM 410 CG LEU A 26 -2.431 -3.172 2.666 1.00 71.51 C ATOM 411 CD1 LEU A 26 -3.291 -4.332 2.175 1.00 24.03 C ATOM 412 CD2 LEU A 26 -3.220 -1.863 2.629 1.00 22.44 C ATOM 0 H LEU A 26 0.294 -2.809 3.134 1.00 15.25 H new ATOM 0 HA LEU A 26 -1.590 -1.397 4.659 1.00 10.34 H new ATOM 0 HB2 LEU A 26 -1.321 -4.371 4.063 1.00 44.23 H new ATOM 0 HB3 LEU A 26 -2.755 -3.626 4.742 1.00 44.23 H new ATOM 0 HG LEU A 26 -1.575 -3.073 1.998 1.00 71.51 H new ATOM 0 HD11 LEU A 26 -3.654 -4.116 1.170 1.00 24.03 H new ATOM 0 HD12 LEU A 26 -2.695 -5.245 2.157 1.00 24.03 H new ATOM 0 HD13 LEU A 26 -4.139 -4.466 2.846 1.00 24.03 H new ATOM 0 HD21 LEU A 26 -3.584 -1.686 1.617 1.00 22.44 H new ATOM 0 HD22 LEU A 26 -4.067 -1.929 3.312 1.00 22.44 H new ATOM 0 HD23 LEU A 26 -2.573 -1.040 2.932 1.00 22.44 H new ATOM 424 N LYS A 27 0.341 -3.400 6.418 1.00 15.42 N ATOM 425 CA LYS A 27 0.760 -3.708 7.793 1.00 3.42 C ATOM 426 C LYS A 27 1.172 -2.444 8.566 1.00 71.13 C ATOM 427 O LYS A 27 1.062 -2.396 9.793 1.00 43.23 O ATOM 428 CB LYS A 27 1.908 -4.731 7.801 1.00 70.45 C ATOM 429 CG LYS A 27 1.463 -6.167 7.530 1.00 3.45 C ATOM 430 CD LYS A 27 0.382 -6.614 8.516 1.00 4.30 C ATOM 431 CE LYS A 27 0.195 -8.128 8.516 1.00 54.52 C ATOM 432 NZ LYS A 27 1.367 -8.829 9.104 1.00 4.02 N ATOM 0 H LYS A 27 0.934 -3.807 5.695 1.00 15.42 H new ATOM 0 HA LYS A 27 -0.103 -4.141 8.299 1.00 3.42 H new ATOM 0 HB2 LYS A 27 2.644 -4.442 7.051 1.00 70.45 H new ATOM 0 HB3 LYS A 27 2.408 -4.693 8.769 1.00 70.45 H new ATOM 0 HG2 LYS A 27 1.083 -6.245 6.511 1.00 3.45 H new ATOM 0 HG3 LYS A 27 2.321 -6.835 7.602 1.00 3.45 H new ATOM 0 HD2 LYS A 27 0.648 -6.282 9.520 1.00 4.30 H new ATOM 0 HD3 LYS A 27 -0.562 -6.133 8.261 1.00 4.30 H new ATOM 0 HE2 LYS A 27 -0.702 -8.383 9.080 1.00 54.52 H new ATOM 0 HE3 LYS A 27 0.039 -8.475 7.495 1.00 54.52 H new ATOM 0 HZ1 LYS A 27 1.105 -9.808 9.337 1.00 4.02 H new ATOM 0 HZ2 LYS A 27 2.149 -8.833 8.418 1.00 4.02 H new ATOM 0 HZ3 LYS A 27 1.668 -8.336 9.969 1.00 4.02 H new ATOM 446 N ASP A 28 1.641 -1.427 7.850 1.00 53.22 N ATOM 447 CA ASP A 28 2.007 -0.152 8.474 1.00 32.11 C ATOM 448 C ASP A 28 0.775 0.761 8.619 1.00 11.23 C ATOM 449 O ASP A 28 0.524 1.329 9.682 1.00 22.44 O ATOM 450 CB ASP A 28 3.083 0.562 7.647 1.00 33.41 C ATOM 451 CG ASP A 28 4.310 -0.301 7.393 1.00 2.42 C ATOM 452 OD1 ASP A 28 4.828 -0.925 8.346 1.00 23.11 O ATOM 453 OD2 ASP A 28 4.778 -0.346 6.238 1.00 43.21 O ATOM 0 H ASP A 28 1.778 -1.457 6.840 1.00 53.22 H new ATOM 0 HA ASP A 28 2.403 -0.367 9.466 1.00 32.11 H new ATOM 0 HB2 ASP A 28 2.656 0.866 6.691 1.00 33.41 H new ATOM 0 HB3 ASP A 28 3.387 1.472 8.165 1.00 33.41 H new ATOM 458 N LEU A 29 0.005 0.886 7.537 1.00 60.40 N ATOM 459 CA LEU A 29 -1.166 1.776 7.500 1.00 50.35 C ATOM 460 C LEU A 29 -2.261 1.348 8.490 1.00 75.40 C ATOM 461 O LEU A 29 -2.896 2.192 9.121 1.00 55.21 O ATOM 462 CB LEU A 29 -1.743 1.827 6.077 1.00 20.31 C ATOM 463 CG LEU A 29 -0.795 2.390 5.003 1.00 61.11 C ATOM 464 CD1 LEU A 29 -1.447 2.337 3.621 1.00 25.42 C ATOM 465 CD2 LEU A 29 -0.374 3.817 5.352 1.00 12.11 C ATOM 0 H LEU A 29 0.170 0.380 6.667 1.00 60.40 H new ATOM 0 HA LEU A 29 -0.825 2.767 7.800 1.00 50.35 H new ATOM 0 HB2 LEU A 29 -2.038 0.819 5.786 1.00 20.31 H new ATOM 0 HB3 LEU A 29 -2.649 2.432 6.092 1.00 20.31 H new ATOM 0 HG LEU A 29 0.100 1.768 4.977 1.00 61.11 H new ATOM 0 HD11 LEU A 29 -0.759 2.740 2.878 1.00 25.42 H new ATOM 0 HD12 LEU A 29 -1.686 1.303 3.371 1.00 25.42 H new ATOM 0 HD13 LEU A 29 -2.362 2.930 3.627 1.00 25.42 H new ATOM 0 HD21 LEU A 29 0.296 4.198 4.581 1.00 12.11 H new ATOM 0 HD22 LEU A 29 -1.257 4.453 5.411 1.00 12.11 H new ATOM 0 HD23 LEU A 29 0.140 3.820 6.313 1.00 12.11 H new ATOM 477 N LEU A 30 -2.475 0.040 8.628 1.00 14.14 N ATOM 478 CA LEU A 30 -3.513 -0.486 9.530 1.00 53.54 C ATOM 479 C LEU A 30 -3.197 -0.174 11.011 1.00 13.04 C ATOM 480 O LEU A 30 -4.065 -0.286 11.881 1.00 42.42 O ATOM 481 CB LEU A 30 -3.670 -2.002 9.326 1.00 53.51 C ATOM 482 CG LEU A 30 -4.861 -2.652 10.055 1.00 61.02 C ATOM 483 CD1 LEU A 30 -6.186 -2.042 9.594 1.00 64.32 C ATOM 484 CD2 LEU A 30 -4.860 -4.165 9.846 1.00 53.14 C ATOM 0 H LEU A 30 -1.948 -0.678 8.131 1.00 14.14 H new ATOM 0 HA LEU A 30 -4.452 0.010 9.283 1.00 53.54 H new ATOM 0 HB2 LEU A 30 -3.770 -2.198 8.258 1.00 53.51 H new ATOM 0 HB3 LEU A 30 -2.754 -2.492 9.656 1.00 53.51 H new ATOM 0 HG LEU A 30 -4.753 -2.453 11.121 1.00 61.02 H new ATOM 0 HD11 LEU A 30 -7.010 -2.519 10.124 1.00 64.32 H new ATOM 0 HD12 LEU A 30 -6.188 -0.973 9.807 1.00 64.32 H new ATOM 0 HD13 LEU A 30 -6.305 -2.199 8.522 1.00 64.32 H new ATOM 0 HD21 LEU A 30 -5.709 -4.605 10.369 1.00 53.14 H new ATOM 0 HD22 LEU A 30 -4.936 -4.385 8.781 1.00 53.14 H new ATOM 0 HD23 LEU A 30 -3.934 -4.586 10.239 1.00 53.14 H new ATOM 496 N LYS A 31 -1.951 0.215 11.291 1.00 21.04 N ATOM 497 CA LYS A 31 -1.538 0.598 12.651 1.00 5.41 C ATOM 498 C LYS A 31 -1.671 2.115 12.875 1.00 32.32 C ATOM 499 O LYS A 31 -1.228 2.647 13.898 1.00 52.31 O ATOM 500 CB LYS A 31 -0.089 0.156 12.910 1.00 44.04 C ATOM 501 CG LYS A 31 0.127 -1.354 12.815 1.00 3.10 C ATOM 502 CD LYS A 31 -0.728 -2.123 13.826 1.00 63.31 C ATOM 503 CE LYS A 31 -0.496 -3.628 13.742 1.00 73.54 C ATOM 504 NZ LYS A 31 -1.357 -4.377 14.696 1.00 0.43 N ATOM 0 H LYS A 31 -1.207 0.274 10.596 1.00 21.04 H new ATOM 0 HA LYS A 31 -2.201 0.094 13.354 1.00 5.41 H new ATOM 0 HB2 LYS A 31 0.565 0.652 12.193 1.00 44.04 H new ATOM 0 HB3 LYS A 31 0.211 0.494 13.902 1.00 44.04 H new ATOM 0 HG2 LYS A 31 -0.113 -1.691 11.807 1.00 3.10 H new ATOM 0 HG3 LYS A 31 1.180 -1.581 12.985 1.00 3.10 H new ATOM 0 HD2 LYS A 31 -0.498 -1.776 14.833 1.00 63.31 H new ATOM 0 HD3 LYS A 31 -1.782 -1.908 13.648 1.00 63.31 H new ATOM 0 HE2 LYS A 31 -0.697 -3.970 12.727 1.00 73.54 H new ATOM 0 HE3 LYS A 31 0.551 -3.846 13.951 1.00 73.54 H new ATOM 0 HZ1 LYS A 31 -1.169 -5.396 14.607 1.00 0.43 H new ATOM 0 HZ2 LYS A 31 -1.148 -4.070 15.667 1.00 0.43 H new ATOM 0 HZ3 LYS A 31 -2.357 -4.190 14.481 1.00 0.43 H new ATOM 518 N ASP A 32 -2.290 2.803 11.916 1.00 4.53 N ATOM 519 CA ASP A 32 -2.459 4.260 11.985 1.00 32.51 C ATOM 520 C ASP A 32 -3.873 4.681 11.547 1.00 22.53 C ATOM 521 O ASP A 32 -4.627 5.272 12.320 1.00 74.23 O ATOM 522 CB ASP A 32 -1.408 4.942 11.097 1.00 74.44 C ATOM 523 CG ASP A 32 -1.470 6.458 11.162 1.00 62.34 C ATOM 524 OD1 ASP A 32 -2.206 7.070 10.361 1.00 10.11 O ATOM 525 OD2 ASP A 32 -0.772 7.052 12.009 1.00 34.34 O ATOM 0 H ASP A 32 -2.685 2.376 11.078 1.00 4.53 H new ATOM 0 HA ASP A 32 -2.323 4.572 13.020 1.00 32.51 H new ATOM 0 HB2 ASP A 32 -0.415 4.611 11.400 1.00 74.44 H new ATOM 0 HB3 ASP A 32 -1.550 4.622 10.065 1.00 74.44 H new ATOM 530 N MET A 33 -4.221 4.363 10.304 1.00 20.04 N ATOM 531 CA MET A 33 -5.514 4.746 9.727 1.00 4.21 C ATOM 532 C MET A 33 -6.558 3.626 9.884 1.00 4.41 C ATOM 533 O MET A 33 -6.214 2.445 9.947 1.00 31.00 O ATOM 534 CB MET A 33 -5.331 5.096 8.241 1.00 71.13 C ATOM 535 CG MET A 33 -6.621 5.481 7.525 1.00 43.01 C ATOM 536 SD MET A 33 -7.499 6.830 8.345 1.00 44.21 S ATOM 537 CE MET A 33 -6.291 8.151 8.235 1.00 12.54 C ATOM 0 H MET A 33 -3.622 3.836 9.668 1.00 20.04 H new ATOM 0 HA MET A 33 -5.883 5.618 10.267 1.00 4.21 H new ATOM 0 HB2 MET A 33 -4.623 5.921 8.158 1.00 71.13 H new ATOM 0 HB3 MET A 33 -4.887 4.242 7.730 1.00 71.13 H new ATOM 0 HG2 MET A 33 -6.390 5.773 6.501 1.00 43.01 H new ATOM 0 HG3 MET A 33 -7.274 4.610 7.468 1.00 43.01 H new ATOM 0 HE1 MET A 33 -6.766 9.100 8.485 1.00 12.54 H new ATOM 0 HE2 MET A 33 -5.476 7.958 8.932 1.00 12.54 H new ATOM 0 HE3 MET A 33 -5.896 8.199 7.220 1.00 12.54 H new ATOM 547 N ASN A 34 -7.836 4.005 9.939 1.00 40.43 N ATOM 548 CA ASN A 34 -8.932 3.031 10.043 1.00 41.44 C ATOM 549 C ASN A 34 -9.181 2.336 8.693 1.00 52.44 C ATOM 550 O ASN A 34 -9.103 2.970 7.639 1.00 52.51 O ATOM 551 CB ASN A 34 -10.212 3.726 10.518 1.00 43.33 C ATOM 552 CG ASN A 34 -11.319 2.742 10.854 1.00 0.14 C ATOM 553 OD1 ASN A 34 -12.101 2.347 9.994 1.00 42.14 O ATOM 554 ND2 ASN A 34 -11.397 2.345 12.107 1.00 74.14 N ATOM 0 H ASN A 34 -8.141 4.978 9.914 1.00 40.43 H new ATOM 0 HA ASN A 34 -8.645 2.273 10.771 1.00 41.44 H new ATOM 0 HB2 ASN A 34 -9.988 4.330 11.397 1.00 43.33 H new ATOM 0 HB3 ASN A 34 -10.560 4.408 9.743 1.00 43.33 H new ATOM 0 HD21 ASN A 34 -12.125 1.688 12.390 1.00 74.14 H new ATOM 0 HD22 ASN A 34 -10.730 2.694 12.795 1.00 74.14 H new ATOM 561 N GLN A 35 -9.505 1.043 8.736 1.00 32.35 N ATOM 562 CA GLN A 35 -9.712 0.242 7.521 1.00 22.00 C ATOM 563 C GLN A 35 -10.742 0.879 6.568 1.00 51.35 C ATOM 564 O GLN A 35 -10.486 1.026 5.371 1.00 0.42 O ATOM 565 CB GLN A 35 -10.154 -1.176 7.907 1.00 65.44 C ATOM 566 CG GLN A 35 -10.408 -2.099 6.721 1.00 33.44 C ATOM 567 CD GLN A 35 -10.801 -3.503 7.148 1.00 51.23 C ATOM 568 OE1 GLN A 35 -10.504 -4.482 6.321 1.00 44.02 O flip ATOM 569 NE2 GLN A 35 -11.381 -3.704 8.206 1.00 3.44 N flip ATOM 0 H GLN A 35 -9.631 0.522 9.604 1.00 32.35 H new ATOM 0 HA GLN A 35 -8.763 0.202 6.986 1.00 22.00 H new ATOM 0 HB2 GLN A 35 -9.389 -1.622 8.542 1.00 65.44 H new ATOM 0 HB3 GLN A 35 -11.064 -1.111 8.503 1.00 65.44 H new ATOM 0 HG2 GLN A 35 -11.198 -1.677 6.100 1.00 33.44 H new ATOM 0 HG3 GLN A 35 -9.510 -2.148 6.105 1.00 33.44 H new ATOM 0 HE21 GLN A 35 -11.597 -2.923 8.826 1.00 3.44 H new ATOM 0 HE22 GLN A 35 -11.649 -4.653 8.469 1.00 3.44 H new ATOM 578 N SER A 36 -11.903 1.264 7.102 1.00 21.43 N ATOM 579 CA SER A 36 -12.959 1.889 6.285 1.00 62.03 C ATOM 580 C SER A 36 -12.488 3.221 5.680 1.00 1.32 C ATOM 581 O SER A 36 -12.769 3.519 4.520 1.00 13.43 O ATOM 582 CB SER A 36 -14.232 2.110 7.114 1.00 3.23 C ATOM 583 OG SER A 36 -15.254 2.740 6.349 1.00 34.25 O ATOM 0 H SER A 36 -12.140 1.158 8.088 1.00 21.43 H new ATOM 0 HA SER A 36 -13.185 1.204 5.467 1.00 62.03 H new ATOM 0 HB2 SER A 36 -14.594 1.152 7.487 1.00 3.23 H new ATOM 0 HB3 SER A 36 -13.998 2.723 7.984 1.00 3.23 H new ATOM 0 HG SER A 36 -16.050 2.864 6.906 1.00 34.25 H new ATOM 589 N SER A 37 -11.762 4.017 6.467 1.00 11.34 N ATOM 590 CA SER A 37 -11.212 5.292 5.977 1.00 52.54 C ATOM 591 C SER A 37 -10.115 5.063 4.926 1.00 62.15 C ATOM 592 O SER A 37 -9.928 5.877 4.021 1.00 73.23 O ATOM 593 CB SER A 37 -10.648 6.122 7.140 1.00 11.22 C ATOM 594 OG SER A 37 -11.669 6.511 8.047 1.00 11.10 O ATOM 0 H SER A 37 -11.540 3.808 7.440 1.00 11.34 H new ATOM 0 HA SER A 37 -12.029 5.840 5.508 1.00 52.54 H new ATOM 0 HB2 SER A 37 -9.892 5.542 7.669 1.00 11.22 H new ATOM 0 HB3 SER A 37 -10.152 7.009 6.747 1.00 11.22 H new ATOM 0 HG SER A 37 -11.277 7.036 8.776 1.00 11.10 H new ATOM 600 N LEU A 38 -9.393 3.951 5.047 1.00 53.42 N ATOM 601 CA LEU A 38 -8.325 3.606 4.100 1.00 50.31 C ATOM 602 C LEU A 38 -8.924 3.232 2.728 1.00 2.52 C ATOM 603 O LEU A 38 -8.473 3.715 1.684 1.00 32.20 O ATOM 604 CB LEU A 38 -7.476 2.445 4.674 1.00 61.44 C ATOM 605 CG LEU A 38 -6.061 2.256 4.076 1.00 5.02 C ATOM 606 CD1 LEU A 38 -6.114 1.740 2.638 1.00 0.14 C ATOM 607 CD2 LEU A 38 -5.268 3.560 4.157 1.00 71.33 C ATOM 0 H LEU A 38 -9.526 3.269 5.793 1.00 53.42 H new ATOM 0 HA LEU A 38 -7.677 4.471 3.956 1.00 50.31 H new ATOM 0 HB2 LEU A 38 -7.374 2.597 5.748 1.00 61.44 H new ATOM 0 HB3 LEU A 38 -8.031 1.517 4.535 1.00 61.44 H new ATOM 0 HG LEU A 38 -5.550 1.499 4.671 1.00 5.02 H new ATOM 0 HD11 LEU A 38 -5.100 1.621 2.256 1.00 0.14 H new ATOM 0 HD12 LEU A 38 -6.625 0.778 2.615 1.00 0.14 H new ATOM 0 HD13 LEU A 38 -6.655 2.453 2.015 1.00 0.14 H new ATOM 0 HD21 LEU A 38 -4.276 3.409 3.732 1.00 71.33 H new ATOM 0 HD22 LEU A 38 -5.788 4.337 3.597 1.00 71.33 H new ATOM 0 HD23 LEU A 38 -5.174 3.865 5.199 1.00 71.33 H new ATOM 619 N ALA A 39 -9.964 2.397 2.745 1.00 31.11 N ATOM 620 CA ALA A 39 -10.644 1.957 1.512 1.00 60.41 C ATOM 621 C ALA A 39 -11.428 3.098 0.831 1.00 22.34 C ATOM 622 O ALA A 39 -12.050 2.901 -0.215 1.00 55.14 O ATOM 623 CB ALA A 39 -11.573 0.786 1.820 1.00 34.21 C ATOM 0 H ALA A 39 -10.360 2.007 3.600 1.00 31.11 H new ATOM 0 HA ALA A 39 -9.873 1.639 0.811 1.00 60.41 H new ATOM 0 HB1 ALA A 39 -12.072 0.467 0.905 1.00 34.21 H new ATOM 0 HB2 ALA A 39 -10.992 -0.043 2.225 1.00 34.21 H new ATOM 0 HB3 ALA A 39 -12.320 1.097 2.551 1.00 34.21 H new ATOM 629 N LYS A 40 -11.406 4.282 1.437 1.00 25.33 N ATOM 630 CA LYS A 40 -12.049 5.469 0.863 1.00 64.11 C ATOM 631 C LYS A 40 -11.248 6.004 -0.338 1.00 42.44 C ATOM 632 O LYS A 40 -11.799 6.247 -1.414 1.00 14.23 O ATOM 633 CB LYS A 40 -12.182 6.556 1.938 1.00 41.41 C ATOM 634 CG LYS A 40 -12.978 7.782 1.497 1.00 20.10 C ATOM 635 CD LYS A 40 -13.084 8.820 2.614 1.00 0.23 C ATOM 636 CE LYS A 40 -13.705 8.236 3.880 1.00 54.21 C ATOM 637 NZ LYS A 40 -13.867 9.259 4.948 1.00 11.21 N ATOM 0 H LYS A 40 -10.947 4.449 2.332 1.00 25.33 H new ATOM 0 HA LYS A 40 -13.041 5.188 0.508 1.00 64.11 H new ATOM 0 HB2 LYS A 40 -12.660 6.124 2.817 1.00 41.41 H new ATOM 0 HB3 LYS A 40 -11.185 6.875 2.241 1.00 41.41 H new ATOM 0 HG2 LYS A 40 -12.501 8.232 0.626 1.00 20.10 H new ATOM 0 HG3 LYS A 40 -13.978 7.475 1.189 1.00 20.10 H new ATOM 0 HD2 LYS A 40 -12.092 9.209 2.843 1.00 0.23 H new ATOM 0 HD3 LYS A 40 -13.685 9.662 2.271 1.00 0.23 H new ATOM 0 HE2 LYS A 40 -14.677 7.805 3.641 1.00 54.21 H new ATOM 0 HE3 LYS A 40 -13.079 7.424 4.249 1.00 54.21 H new ATOM 0 HZ1 LYS A 40 -14.292 8.819 5.789 1.00 11.21 H new ATOM 0 HZ2 LYS A 40 -12.937 9.652 5.196 1.00 11.21 H new ATOM 0 HZ3 LYS A 40 -14.486 10.022 4.607 1.00 11.21 H new ATOM 651 N GLU A 41 -9.945 6.196 -0.141 1.00 15.03 N ATOM 652 CA GLU A 41 -9.052 6.608 -1.228 1.00 13.31 C ATOM 653 C GLU A 41 -8.510 5.400 -2.003 1.00 23.14 C ATOM 654 O GLU A 41 -8.353 5.454 -3.223 1.00 33.11 O ATOM 655 CB GLU A 41 -7.882 7.434 -0.678 1.00 73.15 C ATOM 656 CG GLU A 41 -8.227 8.889 -0.394 1.00 64.13 C ATOM 657 CD GLU A 41 -8.626 9.649 -1.650 1.00 54.12 C ATOM 658 OE1 GLU A 41 -7.752 9.876 -2.518 1.00 11.41 O ATOM 659 OE2 GLU A 41 -9.810 10.027 -1.776 1.00 32.33 O ATOM 0 H GLU A 41 -9.482 6.074 0.760 1.00 15.03 H new ATOM 0 HA GLU A 41 -9.637 7.220 -1.915 1.00 13.31 H new ATOM 0 HB2 GLU A 41 -7.525 6.970 0.242 1.00 73.15 H new ATOM 0 HB3 GLU A 41 -7.060 7.400 -1.393 1.00 73.15 H new ATOM 0 HG2 GLU A 41 -9.043 8.931 0.327 1.00 64.13 H new ATOM 0 HG3 GLU A 41 -7.369 9.379 0.066 1.00 64.13 H new ATOM 666 N CYS A 42 -8.227 4.310 -1.294 1.00 34.51 N ATOM 667 CA CYS A 42 -7.669 3.107 -1.924 1.00 2.32 C ATOM 668 C CYS A 42 -8.748 2.317 -2.678 1.00 75.02 C ATOM 669 O CYS A 42 -9.843 2.098 -2.160 1.00 73.42 O ATOM 670 CB CYS A 42 -7.013 2.200 -0.875 1.00 31.30 C ATOM 671 SG CYS A 42 -6.308 0.677 -1.553 1.00 21.24 S ATOM 0 H CYS A 42 -8.372 4.231 -0.288 1.00 34.51 H new ATOM 0 HA CYS A 42 -6.915 3.436 -2.639 1.00 2.32 H new ATOM 0 HB2 CYS A 42 -6.226 2.758 -0.369 1.00 31.30 H new ATOM 0 HB3 CYS A 42 -7.755 1.940 -0.120 1.00 31.30 H new ATOM 0 HG CYS A 42 -5.776 -0.020 -0.593 1.00 21.24 H new ATOM 677 N PRO A 43 -8.449 1.874 -3.920 1.00 42.04 N ATOM 678 CA PRO A 43 -9.396 1.079 -4.730 1.00 52.12 C ATOM 679 C PRO A 43 -9.654 -0.317 -4.142 1.00 12.11 C ATOM 680 O PRO A 43 -10.585 -1.014 -4.553 1.00 10.35 O ATOM 681 CB PRO A 43 -8.696 0.979 -6.093 1.00 60.31 C ATOM 682 CG PRO A 43 -7.245 1.144 -5.786 1.00 24.35 C ATOM 683 CD PRO A 43 -7.180 2.114 -4.636 1.00 51.41 C ATOM 0 HA PRO A 43 -10.382 1.542 -4.776 1.00 52.12 H new ATOM 0 HB2 PRO A 43 -8.893 0.019 -6.570 1.00 60.31 H new ATOM 0 HB3 PRO A 43 -9.047 1.753 -6.776 1.00 60.31 H new ATOM 0 HG2 PRO A 43 -6.790 0.190 -5.520 1.00 24.35 H new ATOM 0 HG3 PRO A 43 -6.703 1.525 -6.651 1.00 24.35 H new ATOM 0 HD2 PRO A 43 -6.316 1.925 -3.999 1.00 51.41 H new ATOM 0 HD3 PRO A 43 -7.102 3.145 -4.982 1.00 51.41 H new ATOM 691 N LEU A 44 -8.824 -0.722 -3.184 1.00 51.35 N ATOM 692 CA LEU A 44 -8.982 -2.013 -2.512 1.00 35.32 C ATOM 693 C LEU A 44 -10.077 -1.943 -1.436 1.00 50.30 C ATOM 694 O LEU A 44 -9.872 -1.374 -0.361 1.00 42.44 O ATOM 695 CB LEU A 44 -7.652 -2.453 -1.884 1.00 3.02 C ATOM 696 CG LEU A 44 -6.477 -2.592 -2.867 1.00 63.20 C ATOM 697 CD1 LEU A 44 -5.201 -2.993 -2.129 1.00 4.11 C ATOM 698 CD2 LEU A 44 -6.808 -3.596 -3.971 1.00 53.23 C ATOM 0 H LEU A 44 -8.031 -0.173 -2.853 1.00 51.35 H new ATOM 0 HA LEU A 44 -9.282 -2.748 -3.258 1.00 35.32 H new ATOM 0 HB2 LEU A 44 -7.377 -1.733 -1.113 1.00 3.02 H new ATOM 0 HB3 LEU A 44 -7.803 -3.411 -1.386 1.00 3.02 H new ATOM 0 HG LEU A 44 -6.307 -1.622 -3.335 1.00 63.20 H new ATOM 0 HD11 LEU A 44 -4.382 -3.086 -2.842 1.00 4.11 H new ATOM 0 HD12 LEU A 44 -4.954 -2.231 -1.390 1.00 4.11 H new ATOM 0 HD13 LEU A 44 -5.356 -3.948 -1.628 1.00 4.11 H new ATOM 0 HD21 LEU A 44 -5.962 -3.678 -4.654 1.00 53.23 H new ATOM 0 HD22 LEU A 44 -7.012 -4.571 -3.527 1.00 53.23 H new ATOM 0 HD23 LEU A 44 -7.686 -3.257 -4.520 1.00 53.23 H new ATOM 710 N SER A 45 -11.239 -2.518 -1.741 1.00 61.00 N ATOM 711 CA SER A 45 -12.389 -2.499 -0.825 1.00 30.12 C ATOM 712 C SER A 45 -12.078 -3.207 0.506 1.00 72.40 C ATOM 713 O SER A 45 -11.155 -4.020 0.592 1.00 44.10 O ATOM 714 CB SER A 45 -13.602 -3.153 -1.499 1.00 55.44 C ATOM 715 OG SER A 45 -13.922 -2.496 -2.720 1.00 25.53 O ATOM 0 H SER A 45 -11.414 -3.006 -2.619 1.00 61.00 H new ATOM 0 HA SER A 45 -12.613 -1.457 -0.596 1.00 30.12 H new ATOM 0 HB2 SER A 45 -13.392 -4.205 -1.692 1.00 55.44 H new ATOM 0 HB3 SER A 45 -14.459 -3.117 -0.827 1.00 55.44 H new ATOM 0 HG SER A 45 -14.697 -2.931 -3.132 1.00 25.53 H new ATOM 721 N GLN A 46 -12.874 -2.902 1.532 1.00 4.23 N ATOM 722 CA GLN A 46 -12.665 -3.424 2.894 1.00 34.42 C ATOM 723 C GLN A 46 -12.402 -4.943 2.917 1.00 40.44 C ATOM 724 O GLN A 46 -11.489 -5.412 3.608 1.00 34.24 O ATOM 725 CB GLN A 46 -13.888 -3.089 3.762 1.00 51.45 C ATOM 726 CG GLN A 46 -13.757 -3.522 5.222 1.00 20.20 C ATOM 727 CD GLN A 46 -14.962 -3.144 6.069 1.00 51.41 C ATOM 728 OE1 GLN A 46 -16.140 -3.152 5.478 1.00 13.00 O flip ATOM 729 NE2 GLN A 46 -14.835 -2.869 7.258 1.00 71.21 N flip ATOM 0 H GLN A 46 -13.683 -2.287 1.448 1.00 4.23 H new ATOM 0 HA GLN A 46 -11.772 -2.944 3.295 1.00 34.42 H new ATOM 0 HB2 GLN A 46 -14.060 -2.013 3.728 1.00 51.45 H new ATOM 0 HB3 GLN A 46 -14.768 -3.567 3.331 1.00 51.45 H new ATOM 0 HG2 GLN A 46 -13.617 -4.602 5.263 1.00 20.20 H new ATOM 0 HG3 GLN A 46 -12.863 -3.068 5.650 1.00 20.20 H new ATOM 0 HE21 GLN A 46 -13.909 -2.872 7.686 1.00 71.21 H new ATOM 0 HE22 GLN A 46 -15.655 -2.638 7.818 1.00 71.21 H new ATOM 738 N SER A 47 -13.201 -5.703 2.165 1.00 14.31 N ATOM 739 CA SER A 47 -13.035 -7.166 2.072 1.00 50.43 C ATOM 740 C SER A 47 -11.606 -7.545 1.666 1.00 43.43 C ATOM 741 O SER A 47 -11.007 -8.464 2.232 1.00 32.44 O ATOM 742 CB SER A 47 -14.025 -7.758 1.057 1.00 31.42 C ATOM 743 OG SER A 47 -13.903 -9.171 0.976 1.00 24.30 O ATOM 0 H SER A 47 -13.972 -5.334 1.609 1.00 14.31 H new ATOM 0 HA SER A 47 -13.236 -7.578 3.061 1.00 50.43 H new ATOM 0 HB2 SER A 47 -15.043 -7.495 1.344 1.00 31.42 H new ATOM 0 HB3 SER A 47 -13.847 -7.319 0.075 1.00 31.42 H new ATOM 0 HG SER A 47 -14.547 -9.518 0.324 1.00 24.30 H new ATOM 749 N MET A 48 -11.058 -6.819 0.691 1.00 44.31 N ATOM 750 CA MET A 48 -9.689 -7.053 0.231 1.00 11.25 C ATOM 751 C MET A 48 -8.691 -6.842 1.375 1.00 53.23 C ATOM 752 O MET A 48 -7.931 -7.745 1.720 1.00 71.13 O ATOM 753 CB MET A 48 -9.344 -6.116 -0.936 1.00 32.14 C ATOM 754 CG MET A 48 -10.183 -6.352 -2.184 1.00 42.43 C ATOM 755 SD MET A 48 -9.998 -8.028 -2.824 1.00 55.21 S ATOM 756 CE MET A 48 -10.936 -7.920 -4.344 1.00 11.41 C ATOM 0 H MET A 48 -11.541 -6.064 0.205 1.00 44.31 H new ATOM 0 HA MET A 48 -9.621 -8.086 -0.111 1.00 11.25 H new ATOM 0 HB2 MET A 48 -9.475 -5.084 -0.612 1.00 32.14 H new ATOM 0 HB3 MET A 48 -8.291 -6.239 -1.189 1.00 32.14 H new ATOM 0 HG2 MET A 48 -11.232 -6.167 -1.954 1.00 42.43 H new ATOM 0 HG3 MET A 48 -9.894 -5.637 -2.954 1.00 42.43 H new ATOM 0 HE1 MET A 48 -10.914 -8.883 -4.854 1.00 11.41 H new ATOM 0 HE2 MET A 48 -11.968 -7.653 -4.116 1.00 11.41 H new ATOM 0 HE3 MET A 48 -10.498 -7.158 -4.989 1.00 11.41 H new ATOM 766 N ILE A 49 -8.725 -5.653 1.978 1.00 73.12 N ATOM 767 CA ILE A 49 -7.801 -5.300 3.065 1.00 4.45 C ATOM 768 C ILE A 49 -7.806 -6.353 4.189 1.00 24.02 C ATOM 769 O ILE A 49 -6.747 -6.817 4.622 1.00 13.32 O ATOM 770 CB ILE A 49 -8.148 -3.910 3.663 1.00 65.12 C ATOM 771 CG1 ILE A 49 -8.153 -2.834 2.560 1.00 5.41 C ATOM 772 CG2 ILE A 49 -7.167 -3.537 4.778 1.00 34.31 C ATOM 773 CD1 ILE A 49 -8.531 -1.451 3.052 1.00 14.12 C ATOM 0 H ILE A 49 -9.384 -4.914 1.733 1.00 73.12 H new ATOM 0 HA ILE A 49 -6.803 -5.267 2.627 1.00 4.45 H new ATOM 0 HB ILE A 49 -9.147 -3.964 4.096 1.00 65.12 H new ATOM 0 HG12 ILE A 49 -7.163 -2.789 2.105 1.00 5.41 H new ATOM 0 HG13 ILE A 49 -8.850 -3.133 1.777 1.00 5.41 H new ATOM 0 HG21 ILE A 49 -7.430 -2.559 5.182 1.00 34.31 H new ATOM 0 HG22 ILE A 49 -7.217 -4.283 5.571 1.00 34.31 H new ATOM 0 HG23 ILE A 49 -6.155 -3.503 4.376 1.00 34.31 H new ATOM 0 HD11 ILE A 49 -8.512 -0.750 2.217 1.00 14.12 H new ATOM 0 HD12 ILE A 49 -9.533 -1.478 3.480 1.00 14.12 H new ATOM 0 HD13 ILE A 49 -7.820 -1.129 3.813 1.00 14.12 H new ATOM 785 N SER A 50 -9.001 -6.744 4.639 1.00 70.44 N ATOM 786 CA SER A 50 -9.138 -7.731 5.724 1.00 23.14 C ATOM 787 C SER A 50 -8.502 -9.079 5.352 1.00 24.20 C ATOM 788 O SER A 50 -7.870 -9.734 6.186 1.00 3.32 O ATOM 789 CB SER A 50 -10.617 -7.944 6.081 1.00 52.12 C ATOM 790 OG SER A 50 -10.762 -8.883 7.137 1.00 0.10 O ATOM 0 H SER A 50 -9.887 -6.396 4.273 1.00 70.44 H new ATOM 0 HA SER A 50 -8.610 -7.330 6.589 1.00 23.14 H new ATOM 0 HB2 SER A 50 -11.064 -6.993 6.373 1.00 52.12 H new ATOM 0 HB3 SER A 50 -11.159 -8.295 5.203 1.00 52.12 H new ATOM 0 HG SER A 50 -11.713 -8.998 7.344 1.00 0.10 H new ATOM 796 N SER A 51 -8.666 -9.485 4.094 1.00 5.02 N ATOM 797 CA SER A 51 -8.111 -10.756 3.605 1.00 33.25 C ATOM 798 C SER A 51 -6.588 -10.683 3.416 1.00 71.24 C ATOM 799 O SER A 51 -5.863 -11.598 3.797 1.00 33.12 O ATOM 800 CB SER A 51 -8.779 -11.156 2.280 1.00 33.11 C ATOM 801 OG SER A 51 -10.143 -11.489 2.470 1.00 13.13 O ATOM 0 H SER A 51 -9.179 -8.954 3.390 1.00 5.02 H new ATOM 0 HA SER A 51 -8.319 -11.512 4.362 1.00 33.25 H new ATOM 0 HB2 SER A 51 -8.699 -10.335 1.568 1.00 33.11 H new ATOM 0 HB3 SER A 51 -8.252 -12.006 1.847 1.00 33.11 H new ATOM 0 HG SER A 51 -10.688 -10.675 2.426 1.00 13.13 H new ATOM 807 N ILE A 52 -6.110 -9.589 2.831 1.00 64.52 N ATOM 808 CA ILE A 52 -4.677 -9.411 2.560 1.00 54.21 C ATOM 809 C ILE A 52 -3.844 -9.393 3.854 1.00 54.41 C ATOM 810 O ILE A 52 -2.782 -10.007 3.928 1.00 43.14 O ATOM 811 CB ILE A 52 -4.416 -8.101 1.766 1.00 73.14 C ATOM 812 CG1 ILE A 52 -5.205 -8.106 0.446 1.00 71.12 C ATOM 813 CG2 ILE A 52 -2.922 -7.917 1.491 1.00 15.20 C ATOM 814 CD1 ILE A 52 -5.125 -6.802 -0.322 1.00 52.22 C ATOM 0 H ILE A 52 -6.692 -8.806 2.532 1.00 64.52 H new ATOM 0 HA ILE A 52 -4.367 -10.267 1.960 1.00 54.21 H new ATOM 0 HB ILE A 52 -4.757 -7.263 2.374 1.00 73.14 H new ATOM 0 HG12 ILE A 52 -4.832 -8.912 -0.186 1.00 71.12 H new ATOM 0 HG13 ILE A 52 -6.251 -8.327 0.660 1.00 71.12 H new ATOM 0 HG21 ILE A 52 -2.766 -6.993 0.934 1.00 15.20 H new ATOM 0 HG22 ILE A 52 -2.382 -7.867 2.436 1.00 15.20 H new ATOM 0 HG23 ILE A 52 -2.553 -8.760 0.906 1.00 15.20 H new ATOM 0 HD11 ILE A 52 -5.706 -6.884 -1.240 1.00 52.22 H new ATOM 0 HD12 ILE A 52 -5.526 -5.994 0.290 1.00 52.22 H new ATOM 0 HD13 ILE A 52 -4.085 -6.588 -0.569 1.00 52.22 H new ATOM 826 N VAL A 53 -4.329 -8.684 4.873 1.00 71.10 N ATOM 827 CA VAL A 53 -3.611 -8.574 6.148 1.00 54.30 C ATOM 828 C VAL A 53 -3.567 -9.917 6.905 1.00 62.34 C ATOM 829 O VAL A 53 -2.491 -10.406 7.258 1.00 32.43 O ATOM 830 CB VAL A 53 -4.250 -7.492 7.059 1.00 24.22 C ATOM 831 CG1 VAL A 53 -3.556 -7.434 8.421 1.00 21.21 C ATOM 832 CG2 VAL A 53 -4.219 -6.123 6.376 1.00 61.44 C ATOM 0 H VAL A 53 -5.214 -8.177 4.843 1.00 71.10 H new ATOM 0 HA VAL A 53 -2.589 -8.283 5.903 1.00 54.30 H new ATOM 0 HB VAL A 53 -5.291 -7.769 7.227 1.00 24.22 H new ATOM 0 HG11 VAL A 53 -4.026 -6.667 9.036 1.00 21.21 H new ATOM 0 HG12 VAL A 53 -3.645 -8.401 8.916 1.00 21.21 H new ATOM 0 HG13 VAL A 53 -2.502 -7.193 8.282 1.00 21.21 H new ATOM 0 HG21 VAL A 53 -4.672 -5.379 7.031 1.00 61.44 H new ATOM 0 HG22 VAL A 53 -3.186 -5.843 6.168 1.00 61.44 H new ATOM 0 HG23 VAL A 53 -4.777 -6.170 5.441 1.00 61.44 H new ATOM 842 N ASN A 54 -4.739 -10.509 7.137 1.00 41.31 N ATOM 843 CA ASN A 54 -4.850 -11.732 7.950 1.00 42.41 C ATOM 844 C ASN A 54 -4.559 -13.015 7.141 1.00 74.34 C ATOM 845 O ASN A 54 -4.234 -14.056 7.719 1.00 64.24 O ATOM 846 CB ASN A 54 -6.254 -11.818 8.565 1.00 61.33 C ATOM 847 CG ASN A 54 -6.424 -12.996 9.512 1.00 70.33 C ATOM 848 OD1 ASN A 54 -5.392 -13.328 10.265 1.00 55.13 O flip ATOM 849 ND2 ASN A 54 -7.488 -13.597 9.584 1.00 54.41 N flip ATOM 0 H ASN A 54 -5.629 -10.165 6.775 1.00 41.31 H new ATOM 0 HA ASN A 54 -4.095 -11.667 8.733 1.00 42.41 H new ATOM 0 HB2 ASN A 54 -6.464 -10.894 9.104 1.00 61.33 H new ATOM 0 HB3 ASN A 54 -6.990 -11.895 7.765 1.00 61.33 H new ATOM 0 HD21 ASN A 54 -8.271 -13.321 8.991 1.00 54.41 H new ATOM 0 HD22 ASN A 54 -7.592 -14.374 10.237 1.00 54.41 H new ATOM 856 N SER A 55 -4.672 -12.936 5.814 1.00 1.51 N ATOM 857 CA SER A 55 -4.514 -14.105 4.922 1.00 24.20 C ATOM 858 C SER A 55 -5.682 -15.093 5.073 1.00 4.34 C ATOM 859 O SER A 55 -6.543 -15.178 4.203 1.00 55.11 O ATOM 860 CB SER A 55 -3.180 -14.841 5.162 1.00 21.40 C ATOM 861 OG SER A 55 -2.060 -13.999 4.929 1.00 13.20 O ATOM 0 H SER A 55 -4.875 -12.067 5.321 1.00 1.51 H new ATOM 0 HA SER A 55 -4.512 -13.714 3.905 1.00 24.20 H new ATOM 0 HB2 SER A 55 -3.149 -15.211 6.187 1.00 21.40 H new ATOM 0 HB3 SER A 55 -3.123 -15.711 4.507 1.00 21.40 H new ATOM 0 HG SER A 55 -1.234 -14.500 5.093 1.00 13.20 H new ATOM 867 N THR A 56 -5.699 -15.817 6.199 1.00 74.33 N ATOM 868 CA THR A 56 -6.717 -16.845 6.521 1.00 63.21 C ATOM 869 C THR A 56 -7.137 -17.740 5.319 1.00 24.43 C ATOM 870 O THR A 56 -6.651 -18.868 5.197 1.00 61.01 O ATOM 871 CB THR A 56 -7.966 -16.254 7.247 1.00 74.55 C ATOM 872 OG1 THR A 56 -8.933 -17.287 7.485 1.00 71.20 O ATOM 873 CG2 THR A 56 -8.619 -15.108 6.474 1.00 52.44 C ATOM 0 H THR A 56 -4.996 -15.709 6.930 1.00 74.33 H new ATOM 0 HA THR A 56 -6.206 -17.507 7.220 1.00 63.21 H new ATOM 0 HB THR A 56 -7.612 -15.844 8.193 1.00 74.55 H new ATOM 0 HG1 THR A 56 -9.558 -17.330 6.731 1.00 71.20 H new ATOM 0 HG21 THR A 56 -9.481 -14.739 7.029 1.00 52.44 H new ATOM 0 HG22 THR A 56 -7.899 -14.300 6.344 1.00 52.44 H new ATOM 0 HG23 THR A 56 -8.943 -15.466 5.497 1.00 52.44 H new ATOM 881 N TYR A 57 -8.013 -17.254 4.429 1.00 33.01 N ATOM 882 CA TYR A 57 -8.535 -18.084 3.320 1.00 32.32 C ATOM 883 C TYR A 57 -8.141 -17.543 1.931 1.00 4.53 C ATOM 884 O TYR A 57 -8.406 -18.181 0.911 1.00 25.53 O ATOM 885 CB TYR A 57 -10.067 -18.187 3.400 1.00 71.42 C ATOM 886 CG TYR A 57 -10.583 -18.849 4.664 1.00 21.12 C ATOM 887 CD1 TYR A 57 -10.376 -20.205 4.896 1.00 41.31 C ATOM 888 CD2 TYR A 57 -11.276 -18.120 5.628 1.00 44.53 C ATOM 889 CE1 TYR A 57 -10.845 -20.813 6.044 1.00 13.33 C ATOM 890 CE2 TYR A 57 -11.747 -18.724 6.776 1.00 14.21 C ATOM 891 CZ TYR A 57 -11.528 -20.068 6.979 1.00 20.24 C ATOM 892 OH TYR A 57 -11.996 -20.669 8.122 1.00 42.41 O ATOM 0 H TYR A 57 -8.376 -16.301 4.449 1.00 33.01 H new ATOM 0 HA TYR A 57 -8.082 -19.069 3.436 1.00 32.32 H new ATOM 0 HB2 TYR A 57 -10.491 -17.185 3.329 1.00 71.42 H new ATOM 0 HB3 TYR A 57 -10.427 -18.747 2.537 1.00 71.42 H new ATOM 0 HD1 TYR A 57 -9.839 -20.792 4.166 1.00 41.31 H new ATOM 0 HD2 TYR A 57 -11.447 -17.065 5.474 1.00 44.53 H new ATOM 0 HE1 TYR A 57 -10.677 -21.867 6.207 1.00 13.33 H new ATOM 0 HE2 TYR A 57 -12.285 -18.145 7.512 1.00 14.21 H new ATOM 0 HH TYR A 57 -12.454 -20.004 8.677 1.00 42.41 H new ATOM 902 N TYR A 58 -7.510 -16.376 1.890 1.00 72.31 N ATOM 903 CA TYR A 58 -7.191 -15.714 0.621 1.00 43.31 C ATOM 904 C TYR A 58 -5.898 -16.276 -0.003 1.00 42.21 C ATOM 905 O TYR A 58 -4.801 -16.071 0.522 1.00 3.33 O ATOM 906 CB TYR A 58 -7.058 -14.201 0.845 1.00 54.22 C ATOM 907 CG TYR A 58 -7.426 -13.372 -0.370 1.00 22.23 C ATOM 908 CD1 TYR A 58 -8.759 -13.170 -0.699 1.00 45.43 C ATOM 909 CD2 TYR A 58 -6.454 -12.786 -1.178 1.00 5.12 C ATOM 910 CE1 TYR A 58 -9.118 -12.416 -1.793 1.00 25.24 C ATOM 911 CE2 TYR A 58 -6.810 -12.028 -2.279 1.00 62.21 C ATOM 912 CZ TYR A 58 -8.145 -11.848 -2.581 1.00 33.15 C ATOM 913 OH TYR A 58 -8.509 -11.094 -3.672 1.00 14.51 O ATOM 0 H TYR A 58 -7.207 -15.864 2.719 1.00 72.31 H new ATOM 0 HA TYR A 58 -8.005 -15.909 -0.077 1.00 43.31 H new ATOM 0 HB2 TYR A 58 -7.695 -13.909 1.680 1.00 54.22 H new ATOM 0 HB3 TYR A 58 -6.031 -13.974 1.132 1.00 54.22 H new ATOM 0 HD1 TYR A 58 -9.529 -13.613 -0.085 1.00 45.43 H new ATOM 0 HD2 TYR A 58 -5.409 -12.925 -0.942 1.00 5.12 H new ATOM 0 HE1 TYR A 58 -10.161 -12.271 -2.032 1.00 25.24 H new ATOM 0 HE2 TYR A 58 -6.048 -11.580 -2.899 1.00 62.21 H new ATOM 0 HH TYR A 58 -8.903 -10.249 -3.369 1.00 14.51 H new ATOM 923 N ALA A 59 -6.034 -16.979 -1.128 1.00 14.33 N ATOM 924 CA ALA A 59 -4.881 -17.595 -1.801 1.00 70.32 C ATOM 925 C ALA A 59 -4.287 -16.689 -2.898 1.00 63.41 C ATOM 926 O ALA A 59 -4.829 -16.598 -4.004 1.00 21.32 O ATOM 927 CB ALA A 59 -5.276 -18.946 -2.386 1.00 43.32 C ATOM 0 H ALA A 59 -6.927 -17.138 -1.594 1.00 14.33 H new ATOM 0 HA ALA A 59 -4.105 -17.737 -1.049 1.00 70.32 H new ATOM 0 HB1 ALA A 59 -4.415 -19.393 -2.882 1.00 43.32 H new ATOM 0 HB2 ALA A 59 -5.616 -19.604 -1.586 1.00 43.32 H new ATOM 0 HB3 ALA A 59 -6.080 -18.808 -3.109 1.00 43.32 H new ATOM 933 N ASN A 60 -3.171 -16.028 -2.568 1.00 41.22 N ATOM 934 CA ASN A 60 -2.424 -15.168 -3.509 1.00 3.44 C ATOM 935 C ASN A 60 -3.196 -13.886 -3.866 1.00 61.10 C ATOM 936 O ASN A 60 -4.330 -13.931 -4.355 1.00 63.25 O ATOM 937 CB ASN A 60 -2.058 -15.945 -4.784 1.00 11.43 C ATOM 938 CG ASN A 60 -1.053 -15.226 -5.680 1.00 74.25 C ATOM 939 OD1 ASN A 60 -0.988 -14.001 -5.733 1.00 55.23 O ATOM 940 ND2 ASN A 60 -0.262 -15.990 -6.405 1.00 13.22 N ATOM 0 H ASN A 60 -2.755 -16.071 -1.638 1.00 41.22 H new ATOM 0 HA ASN A 60 -1.507 -14.865 -3.003 1.00 3.44 H new ATOM 0 HB2 ASN A 60 -1.649 -16.915 -4.502 1.00 11.43 H new ATOM 0 HB3 ASN A 60 -2.967 -16.136 -5.355 1.00 11.43 H new ATOM 0 HD21 ASN A 60 0.425 -15.566 -7.029 1.00 13.22 H new ATOM 0 HD22 ASN A 60 -0.336 -17.005 -6.343 1.00 13.22 H new ATOM 947 N VAL A 61 -2.570 -12.741 -3.616 1.00 53.02 N ATOM 948 CA VAL A 61 -3.139 -11.446 -3.993 1.00 72.35 C ATOM 949 C VAL A 61 -2.876 -11.133 -5.481 1.00 12.10 C ATOM 950 O VAL A 61 -1.726 -11.026 -5.919 1.00 33.32 O ATOM 951 CB VAL A 61 -2.586 -10.311 -3.095 1.00 55.52 C ATOM 952 CG1 VAL A 61 -3.130 -10.439 -1.672 1.00 25.25 C ATOM 953 CG2 VAL A 61 -1.057 -10.316 -3.083 1.00 13.01 C ATOM 0 H VAL A 61 -1.664 -12.681 -3.152 1.00 53.02 H new ATOM 0 HA VAL A 61 -4.217 -11.506 -3.843 1.00 72.35 H new ATOM 0 HB VAL A 61 -2.919 -9.360 -3.511 1.00 55.52 H new ATOM 0 HG11 VAL A 61 -2.731 -9.633 -1.056 1.00 25.25 H new ATOM 0 HG12 VAL A 61 -4.218 -10.376 -1.691 1.00 25.25 H new ATOM 0 HG13 VAL A 61 -2.830 -11.399 -1.253 1.00 25.25 H new ATOM 0 HG21 VAL A 61 -0.696 -9.509 -2.445 1.00 13.01 H new ATOM 0 HG22 VAL A 61 -0.699 -11.271 -2.698 1.00 13.01 H new ATOM 0 HG23 VAL A 61 -0.685 -10.171 -4.097 1.00 13.01 H new ATOM 963 N SER A 62 -3.953 -10.972 -6.246 1.00 15.21 N ATOM 964 CA SER A 62 -3.876 -10.825 -7.712 1.00 23.31 C ATOM 965 C SER A 62 -3.107 -9.573 -8.168 1.00 40.35 C ATOM 966 O SER A 62 -2.724 -8.715 -7.362 1.00 14.32 O ATOM 967 CB SER A 62 -5.288 -10.802 -8.312 1.00 62.23 C ATOM 968 OG SER A 62 -5.979 -12.014 -8.057 1.00 52.42 O ATOM 0 H SER A 62 -4.903 -10.939 -5.877 1.00 15.21 H new ATOM 0 HA SER A 62 -3.317 -11.688 -8.074 1.00 23.31 H new ATOM 0 HB2 SER A 62 -5.849 -9.967 -7.893 1.00 62.23 H new ATOM 0 HB3 SER A 62 -5.225 -10.637 -9.388 1.00 62.23 H new ATOM 0 HG SER A 62 -6.876 -11.968 -8.450 1.00 52.42 H new ATOM 974 N ALA A 63 -2.898 -9.472 -9.484 1.00 53.22 N ATOM 975 CA ALA A 63 -2.142 -8.365 -10.081 1.00 61.33 C ATOM 976 C ALA A 63 -2.849 -7.012 -9.892 1.00 35.43 C ATOM 977 O ALA A 63 -2.207 -6.012 -9.571 1.00 65.55 O ATOM 978 CB ALA A 63 -1.901 -8.635 -11.563 1.00 25.11 C ATOM 0 H ALA A 63 -3.245 -10.150 -10.162 1.00 53.22 H new ATOM 0 HA ALA A 63 -1.185 -8.304 -9.563 1.00 61.33 H new ATOM 0 HB1 ALA A 63 -1.339 -7.808 -11.997 1.00 25.11 H new ATOM 0 HB2 ALA A 63 -1.333 -9.558 -11.677 1.00 25.11 H new ATOM 0 HB3 ALA A 63 -2.858 -8.732 -12.076 1.00 25.11 H new ATOM 984 N ALA A 64 -4.171 -6.990 -10.086 1.00 3.23 N ATOM 985 CA ALA A 64 -4.965 -5.762 -9.918 1.00 24.14 C ATOM 986 C ALA A 64 -4.690 -5.085 -8.570 1.00 43.02 C ATOM 987 O ALA A 64 -4.580 -3.862 -8.487 1.00 45.21 O ATOM 988 CB ALA A 64 -6.450 -6.071 -10.047 1.00 45.13 C ATOM 0 H ALA A 64 -4.717 -7.807 -10.360 1.00 3.23 H new ATOM 0 HA ALA A 64 -4.667 -5.071 -10.707 1.00 24.14 H new ATOM 0 HB1 ALA A 64 -7.025 -5.154 -9.921 1.00 45.13 H new ATOM 0 HB2 ALA A 64 -6.650 -6.492 -11.033 1.00 45.13 H new ATOM 0 HB3 ALA A 64 -6.740 -6.789 -9.280 1.00 45.13 H new ATOM 994 N LYS A 65 -4.558 -5.900 -7.523 1.00 24.05 N ATOM 995 CA LYS A 65 -4.257 -5.409 -6.174 1.00 12.44 C ATOM 996 C LYS A 65 -3.006 -4.506 -6.182 1.00 62.15 C ATOM 997 O LYS A 65 -2.907 -3.556 -5.410 1.00 70.21 O ATOM 998 CB LYS A 65 -4.063 -6.613 -5.229 1.00 45.23 C ATOM 999 CG LYS A 65 -4.137 -6.287 -3.731 1.00 34.32 C ATOM 1000 CD LYS A 65 -2.855 -5.658 -3.170 1.00 53.24 C ATOM 1001 CE LYS A 65 -1.703 -6.656 -3.067 1.00 32.41 C ATOM 1002 NZ LYS A 65 -1.212 -7.104 -4.399 1.00 34.21 N ATOM 0 H LYS A 65 -4.656 -6.914 -7.583 1.00 24.05 H new ATOM 0 HA LYS A 65 -5.091 -4.805 -5.818 1.00 12.44 H new ATOM 0 HB2 LYS A 65 -4.821 -7.361 -5.460 1.00 45.23 H new ATOM 0 HB3 LYS A 65 -3.094 -7.066 -5.438 1.00 45.23 H new ATOM 0 HG2 LYS A 65 -4.970 -5.606 -3.558 1.00 34.32 H new ATOM 0 HG3 LYS A 65 -4.353 -7.202 -3.180 1.00 34.32 H new ATOM 0 HD2 LYS A 65 -2.554 -4.827 -3.808 1.00 53.24 H new ATOM 0 HD3 LYS A 65 -3.061 -5.244 -2.183 1.00 53.24 H new ATOM 0 HE2 LYS A 65 -0.881 -6.200 -2.515 1.00 32.41 H new ATOM 0 HE3 LYS A 65 -2.029 -7.524 -2.494 1.00 32.41 H new ATOM 0 HZ1 LYS A 65 -0.189 -7.284 -4.349 1.00 34.21 H new ATOM 0 HZ2 LYS A 65 -1.704 -7.978 -4.675 1.00 34.21 H new ATOM 0 HZ3 LYS A 65 -1.399 -6.364 -5.105 1.00 34.21 H new ATOM 1016 N CYS A 66 -2.059 -4.812 -7.069 1.00 30.21 N ATOM 1017 CA CYS A 66 -0.831 -4.011 -7.209 1.00 22.35 C ATOM 1018 C CYS A 66 -1.020 -2.860 -8.209 1.00 51.23 C ATOM 1019 O CYS A 66 -0.667 -1.713 -7.927 1.00 22.12 O ATOM 1020 CB CYS A 66 0.340 -4.896 -7.662 1.00 1.43 C ATOM 1021 SG CYS A 66 1.896 -4.002 -7.891 1.00 4.52 S ATOM 0 H CYS A 66 -2.114 -5.608 -7.704 1.00 30.21 H new ATOM 0 HA CYS A 66 -0.607 -3.585 -6.231 1.00 22.35 H new ATOM 0 HB2 CYS A 66 0.492 -5.685 -6.925 1.00 1.43 H new ATOM 0 HB3 CYS A 66 0.072 -5.383 -8.600 1.00 1.43 H new ATOM 0 HG CYS A 66 2.845 -4.847 -8.166 1.00 4.52 H new ATOM 1027 N GLN A 67 -1.590 -3.171 -9.373 1.00 24.50 N ATOM 1028 CA GLN A 67 -1.775 -2.177 -10.443 1.00 62.22 C ATOM 1029 C GLN A 67 -2.651 -0.995 -9.990 1.00 52.20 C ATOM 1030 O GLN A 67 -2.279 0.172 -10.159 1.00 21.30 O ATOM 1031 CB GLN A 67 -2.399 -2.835 -11.682 1.00 2.44 C ATOM 1032 CG GLN A 67 -1.613 -4.025 -12.221 1.00 71.35 C ATOM 1033 CD GLN A 67 -2.160 -4.534 -13.544 1.00 24.10 C ATOM 1034 OE1 GLN A 67 -1.733 -4.105 -14.609 1.00 31.51 O ATOM 1035 NE2 GLN A 67 -3.117 -5.436 -13.491 1.00 4.12 N ATOM 0 H GLN A 67 -1.934 -4.103 -9.604 1.00 24.50 H new ATOM 0 HA GLN A 67 -0.788 -1.787 -10.692 1.00 62.22 H new ATOM 0 HB2 GLN A 67 -3.409 -3.163 -11.436 1.00 2.44 H new ATOM 0 HB3 GLN A 67 -2.490 -2.087 -12.470 1.00 2.44 H new ATOM 0 HG2 GLN A 67 -0.569 -3.738 -12.349 1.00 71.35 H new ATOM 0 HG3 GLN A 67 -1.634 -4.832 -11.488 1.00 71.35 H new ATOM 0 HE21 GLN A 67 -3.451 -5.773 -12.588 1.00 4.12 H new ATOM 0 HE22 GLN A 67 -3.525 -5.798 -14.353 1.00 4.12 H new ATOM 1044 N GLU A 68 -3.813 -1.301 -9.424 1.00 52.10 N ATOM 1045 CA GLU A 68 -4.738 -0.268 -8.947 1.00 13.11 C ATOM 1046 C GLU A 68 -4.131 0.539 -7.789 1.00 4.40 C ATOM 1047 O GLU A 68 -4.325 1.754 -7.698 1.00 2.15 O ATOM 1048 CB GLU A 68 -6.065 -0.900 -8.519 1.00 44.01 C ATOM 1049 CG GLU A 68 -6.794 -1.613 -9.652 1.00 53.42 C ATOM 1050 CD GLU A 68 -8.149 -2.154 -9.230 1.00 72.45 C ATOM 1051 OE1 GLU A 68 -9.123 -1.374 -9.219 1.00 24.24 O ATOM 1052 OE2 GLU A 68 -8.243 -3.355 -8.899 1.00 75.34 O ATOM 0 H GLU A 68 -4.141 -2.256 -9.282 1.00 52.10 H new ATOM 0 HA GLU A 68 -4.923 0.421 -9.771 1.00 13.11 H new ATOM 0 HB2 GLU A 68 -5.877 -1.611 -7.715 1.00 44.01 H new ATOM 0 HB3 GLU A 68 -6.713 -0.124 -8.113 1.00 44.01 H new ATOM 0 HG2 GLU A 68 -6.927 -0.922 -10.484 1.00 53.42 H new ATOM 0 HG3 GLU A 68 -6.177 -2.435 -10.015 1.00 53.42 H new ATOM 1059 N PHE A 69 -3.393 -0.139 -6.909 1.00 13.22 N ATOM 1060 CA PHE A 69 -2.685 0.541 -5.820 1.00 21.32 C ATOM 1061 C PHE A 69 -1.661 1.537 -6.384 1.00 73.51 C ATOM 1062 O PHE A 69 -1.578 2.676 -5.933 1.00 33.22 O ATOM 1063 CB PHE A 69 -1.990 -0.479 -4.905 1.00 73.42 C ATOM 1064 CG PHE A 69 -1.277 0.147 -3.728 1.00 12.33 C ATOM 1065 CD1 PHE A 69 -1.984 0.527 -2.593 1.00 45.01 C ATOM 1066 CD2 PHE A 69 0.098 0.354 -3.753 1.00 60.43 C ATOM 1067 CE1 PHE A 69 -1.335 1.098 -1.513 1.00 12.11 C ATOM 1068 CE2 PHE A 69 0.748 0.926 -2.675 1.00 51.31 C ATOM 1069 CZ PHE A 69 0.032 1.296 -1.554 1.00 20.31 C ATOM 0 H PHE A 69 -3.269 -1.151 -6.927 1.00 13.22 H new ATOM 0 HA PHE A 69 -3.416 1.092 -5.229 1.00 21.32 H new ATOM 0 HB2 PHE A 69 -2.732 -1.186 -4.535 1.00 73.42 H new ATOM 0 HB3 PHE A 69 -1.271 -1.050 -5.492 1.00 73.42 H new ATOM 0 HD1 PHE A 69 -3.052 0.375 -2.554 1.00 45.01 H new ATOM 0 HD2 PHE A 69 0.665 0.064 -4.625 1.00 60.43 H new ATOM 0 HE1 PHE A 69 -1.897 1.389 -0.638 1.00 12.11 H new ATOM 0 HE2 PHE A 69 1.816 1.083 -2.710 1.00 51.31 H new ATOM 0 HZ PHE A 69 0.540 1.740 -0.710 1.00 20.31 H new ATOM 1079 N GLY A 70 -0.890 1.098 -7.380 1.00 0.14 N ATOM 1080 CA GLY A 70 0.049 1.985 -8.060 1.00 12.34 C ATOM 1081 C GLY A 70 -0.644 3.141 -8.781 1.00 30.31 C ATOM 1082 O GLY A 70 -0.069 4.224 -8.947 1.00 70.33 O ATOM 0 H GLY A 70 -0.898 0.140 -7.730 1.00 0.14 H new ATOM 0 HA2 GLY A 70 0.754 2.387 -7.332 1.00 12.34 H new ATOM 0 HA3 GLY A 70 0.629 1.409 -8.781 1.00 12.34 H new ATOM 1086 N ARG A 71 -1.883 2.906 -9.216 1.00 31.03 N ATOM 1087 CA ARG A 71 -2.692 3.942 -9.869 1.00 42.52 C ATOM 1088 C ARG A 71 -2.982 5.089 -8.887 1.00 31.02 C ATOM 1089 O ARG A 71 -2.760 6.260 -9.200 1.00 51.42 O ATOM 1090 CB ARG A 71 -4.003 3.323 -10.404 1.00 42.11 C ATOM 1091 CG ARG A 71 -4.720 4.138 -11.488 1.00 61.25 C ATOM 1092 CD ARG A 71 -5.379 5.401 -10.943 1.00 23.11 C ATOM 1093 NE ARG A 71 -6.047 6.167 -11.993 1.00 3.44 N ATOM 1094 CZ ARG A 71 -5.820 7.430 -12.236 1.00 75.14 C ATOM 1095 NH1 ARG A 71 -4.939 8.086 -11.550 1.00 15.43 N ATOM 1096 NH2 ARG A 71 -6.464 8.034 -13.181 1.00 13.32 N ATOM 0 H ARG A 71 -2.352 2.004 -9.128 1.00 31.03 H new ATOM 0 HA ARG A 71 -2.137 4.354 -10.712 1.00 42.52 H new ATOM 0 HB2 ARG A 71 -3.781 2.334 -10.804 1.00 42.11 H new ATOM 0 HB3 ARG A 71 -4.687 3.182 -9.567 1.00 42.11 H new ATOM 0 HG2 ARG A 71 -4.004 4.413 -12.262 1.00 61.25 H new ATOM 0 HG3 ARG A 71 -5.478 3.515 -11.962 1.00 61.25 H new ATOM 0 HD2 ARG A 71 -6.104 5.129 -10.176 1.00 23.11 H new ATOM 0 HD3 ARG A 71 -4.625 6.025 -10.463 1.00 23.11 H new ATOM 0 HE ARG A 71 -6.734 5.685 -12.573 1.00 3.44 H new ATOM 0 HH11 ARG A 71 -4.415 7.617 -10.812 1.00 15.43 H new ATOM 0 HH12 ARG A 71 -4.769 9.072 -11.748 1.00 15.43 H new ATOM 0 HH21 ARG A 71 -7.150 7.524 -13.737 1.00 13.32 H new ATOM 0 HH22 ARG A 71 -6.286 9.020 -13.370 1.00 13.32 H new ATOM 1110 N TRP A 72 -3.475 4.742 -7.701 1.00 42.31 N ATOM 1111 CA TRP A 72 -3.738 5.735 -6.652 1.00 55.32 C ATOM 1112 C TRP A 72 -2.429 6.293 -6.067 1.00 51.01 C ATOM 1113 O TRP A 72 -2.323 7.486 -5.793 1.00 24.04 O ATOM 1114 CB TRP A 72 -4.593 5.116 -5.538 1.00 42.15 C ATOM 1115 CG TRP A 72 -4.831 6.048 -4.379 1.00 2.23 C ATOM 1116 CD1 TRP A 72 -5.699 7.103 -4.337 1.00 22.12 C ATOM 1117 CD2 TRP A 72 -4.186 6.012 -3.099 1.00 40.52 C ATOM 1118 NE1 TRP A 72 -5.628 7.725 -3.113 1.00 12.43 N ATOM 1119 CE2 TRP A 72 -4.710 7.070 -2.335 1.00 72.51 C ATOM 1120 CE3 TRP A 72 -3.219 5.183 -2.526 1.00 1.44 C ATOM 1121 CZ2 TRP A 72 -4.297 7.322 -1.028 1.00 11.52 C ATOM 1122 CZ3 TRP A 72 -2.810 5.435 -1.230 1.00 1.52 C ATOM 1123 CH2 TRP A 72 -3.350 6.494 -0.493 1.00 2.05 C ATOM 0 H TRP A 72 -3.702 3.783 -7.438 1.00 42.31 H new ATOM 0 HA TRP A 72 -4.284 6.563 -7.104 1.00 55.32 H new ATOM 0 HB2 TRP A 72 -5.554 4.812 -5.954 1.00 42.15 H new ATOM 0 HB3 TRP A 72 -4.104 4.213 -5.174 1.00 42.15 H new ATOM 0 HD1 TRP A 72 -6.346 7.404 -5.147 1.00 22.12 H new ATOM 0 HE1 TRP A 72 -6.170 8.541 -2.830 1.00 12.43 H new ATOM 0 HE3 TRP A 72 -2.799 4.360 -3.085 1.00 1.44 H new ATOM 0 HZ2 TRP A 72 -4.710 8.142 -0.459 1.00 11.52 H new ATOM 0 HZ3 TRP A 72 -2.060 4.803 -0.778 1.00 1.52 H new ATOM 0 HH2 TRP A 72 -3.012 6.661 0.519 1.00 2.05 H new ATOM 1134 N TYR A 73 -1.439 5.419 -5.892 1.00 44.02 N ATOM 1135 CA TYR A 73 -0.122 5.801 -5.356 1.00 24.13 C ATOM 1136 C TYR A 73 0.451 7.028 -6.087 1.00 2.40 C ATOM 1137 O TYR A 73 0.851 8.015 -5.460 1.00 61.13 O ATOM 1138 CB TYR A 73 0.844 4.607 -5.481 1.00 3.23 C ATOM 1139 CG TYR A 73 2.239 4.850 -4.920 1.00 32.33 C ATOM 1140 CD1 TYR A 73 2.537 4.561 -3.591 1.00 43.00 C ATOM 1141 CD2 TYR A 73 3.259 5.356 -5.722 1.00 10.14 C ATOM 1142 CE1 TYR A 73 3.804 4.771 -3.080 1.00 43.02 C ATOM 1143 CE2 TYR A 73 4.528 5.569 -5.218 1.00 72.25 C ATOM 1144 CZ TYR A 73 4.796 5.274 -3.897 1.00 74.25 C ATOM 1145 OH TYR A 73 6.057 5.497 -3.391 1.00 41.43 O ATOM 0 H TYR A 73 -1.521 4.427 -6.115 1.00 44.02 H new ATOM 0 HA TYR A 73 -0.241 6.071 -4.307 1.00 24.13 H new ATOM 0 HB2 TYR A 73 0.407 3.749 -4.970 1.00 3.23 H new ATOM 0 HB3 TYR A 73 0.933 4.339 -6.534 1.00 3.23 H new ATOM 0 HD1 TYR A 73 1.765 4.166 -2.948 1.00 43.00 H new ATOM 0 HD2 TYR A 73 3.054 5.586 -6.757 1.00 10.14 H new ATOM 0 HE1 TYR A 73 4.017 4.542 -2.046 1.00 43.02 H new ATOM 0 HE2 TYR A 73 5.306 5.964 -5.855 1.00 72.25 H new ATOM 0 HH TYR A 73 6.622 5.896 -4.085 1.00 41.43 H new ATOM 1155 N LYS A 74 0.474 6.964 -7.417 1.00 14.13 N ATOM 1156 CA LYS A 74 1.001 8.063 -8.235 1.00 12.35 C ATOM 1157 C LYS A 74 0.112 9.319 -8.165 1.00 60.53 C ATOM 1158 O LYS A 74 0.601 10.434 -8.328 1.00 55.54 O ATOM 1159 CB LYS A 74 1.191 7.606 -9.691 1.00 70.11 C ATOM 1160 CG LYS A 74 2.385 6.670 -9.879 1.00 74.35 C ATOM 1161 CD LYS A 74 2.607 6.276 -11.342 1.00 34.32 C ATOM 1162 CE LYS A 74 1.697 5.134 -11.793 1.00 72.03 C ATOM 1163 NZ LYS A 74 0.253 5.496 -11.780 1.00 0.53 N ATOM 0 H LYS A 74 0.135 6.166 -7.954 1.00 14.13 H new ATOM 0 HA LYS A 74 1.972 8.338 -7.824 1.00 12.35 H new ATOM 0 HB2 LYS A 74 0.286 7.101 -10.027 1.00 70.11 H new ATOM 0 HB3 LYS A 74 1.322 8.482 -10.326 1.00 70.11 H new ATOM 0 HG2 LYS A 74 3.284 7.155 -9.498 1.00 74.35 H new ATOM 0 HG3 LYS A 74 2.232 5.769 -9.284 1.00 74.35 H new ATOM 0 HD2 LYS A 74 2.434 7.145 -11.978 1.00 34.32 H new ATOM 0 HD3 LYS A 74 3.647 5.982 -11.480 1.00 34.32 H new ATOM 0 HE2 LYS A 74 1.980 4.829 -12.801 1.00 72.03 H new ATOM 0 HE3 LYS A 74 1.855 4.273 -11.143 1.00 72.03 H new ATOM 0 HZ1 LYS A 74 -0.255 4.921 -12.482 1.00 0.53 H new ATOM 0 HZ2 LYS A 74 -0.141 5.317 -10.834 1.00 0.53 H new ATOM 0 HZ3 LYS A 74 0.146 6.503 -12.015 1.00 0.53 H new ATOM 1177 N HIS A 75 -1.182 9.140 -7.908 1.00 32.31 N ATOM 1178 CA HIS A 75 -2.101 10.278 -7.747 1.00 64.13 C ATOM 1179 C HIS A 75 -1.910 10.942 -6.374 1.00 60.22 C ATOM 1180 O HIS A 75 -1.951 12.166 -6.245 1.00 70.22 O ATOM 1181 CB HIS A 75 -3.557 9.814 -7.905 1.00 43.30 C ATOM 1182 CG HIS A 75 -4.550 10.938 -7.973 1.00 65.11 C ATOM 1183 ND1 HIS A 75 -5.024 11.598 -6.860 1.00 12.21 N ATOM 1184 CD2 HIS A 75 -5.154 11.522 -9.035 1.00 61.25 C ATOM 1185 CE1 HIS A 75 -5.876 12.530 -7.232 1.00 4.15 C ATOM 1186 NE2 HIS A 75 -5.973 12.507 -8.542 1.00 54.52 N ATOM 0 H HIS A 75 -1.622 8.225 -7.806 1.00 32.31 H new ATOM 0 HA HIS A 75 -1.875 11.010 -8.522 1.00 64.13 H new ATOM 0 HB2 HIS A 75 -3.640 9.213 -8.811 1.00 43.30 H new ATOM 0 HB3 HIS A 75 -3.814 9.165 -7.068 1.00 43.30 H new ATOM 0 HD2 HIS A 75 -5.017 11.262 -10.074 1.00 61.25 H new ATOM 0 HE1 HIS A 75 -6.406 13.200 -6.572 1.00 4.15 H new ATOM 0 HE2 HIS A 75 -6.562 13.122 -9.103 1.00 54.52 H new ATOM 1195 N PHE A 76 -1.701 10.111 -5.357 1.00 62.51 N ATOM 1196 CA PHE A 76 -1.510 10.571 -3.978 1.00 52.33 C ATOM 1197 C PHE A 76 -0.196 11.352 -3.822 1.00 72.23 C ATOM 1198 O PHE A 76 -0.169 12.439 -3.237 1.00 21.42 O ATOM 1199 CB PHE A 76 -1.531 9.357 -3.035 1.00 42.03 C ATOM 1200 CG PHE A 76 -1.310 9.688 -1.575 1.00 3.44 C ATOM 1201 CD1 PHE A 76 -2.352 10.162 -0.788 1.00 11.53 C ATOM 1202 CD2 PHE A 76 -0.061 9.521 -0.990 1.00 52.05 C ATOM 1203 CE1 PHE A 76 -2.152 10.459 0.549 1.00 3.51 C ATOM 1204 CE2 PHE A 76 0.142 9.817 0.345 1.00 34.30 C ATOM 1205 CZ PHE A 76 -0.904 10.289 1.114 1.00 34.42 C ATOM 0 H PHE A 76 -1.659 9.097 -5.462 1.00 62.51 H new ATOM 0 HA PHE A 76 -2.322 11.251 -3.720 1.00 52.33 H new ATOM 0 HB2 PHE A 76 -2.491 8.851 -3.138 1.00 42.03 H new ATOM 0 HB3 PHE A 76 -0.763 8.652 -3.354 1.00 42.03 H new ATOM 0 HD1 PHE A 76 -3.330 10.300 -1.225 1.00 11.53 H new ATOM 0 HD2 PHE A 76 0.762 9.155 -1.586 1.00 52.05 H new ATOM 0 HE1 PHE A 76 -2.972 10.824 1.150 1.00 3.51 H new ATOM 0 HE2 PHE A 76 1.118 9.679 0.787 1.00 34.30 H new ATOM 0 HZ PHE A 76 -0.746 10.525 2.156 1.00 34.42 H new ATOM 1215 N LYS A 77 0.889 10.795 -4.355 1.00 2.22 N ATOM 1216 CA LYS A 77 2.215 11.414 -4.249 1.00 52.12 C ATOM 1217 C LYS A 77 2.541 12.325 -5.447 1.00 4.40 C ATOM 1218 O LYS A 77 3.494 13.103 -5.389 1.00 24.45 O ATOM 1219 CB LYS A 77 3.293 10.332 -4.116 1.00 75.43 C ATOM 1220 CG LYS A 77 3.225 9.558 -2.801 1.00 72.20 C ATOM 1221 CD LYS A 77 4.301 8.478 -2.716 1.00 32.02 C ATOM 1222 CE LYS A 77 5.694 9.044 -2.957 1.00 13.34 C ATOM 1223 NZ LYS A 77 6.754 8.028 -2.732 1.00 42.44 N ATOM 0 H LYS A 77 0.879 9.913 -4.867 1.00 2.22 H new ATOM 0 HA LYS A 77 2.202 12.040 -3.357 1.00 52.12 H new ATOM 0 HB2 LYS A 77 3.197 9.631 -4.945 1.00 75.43 H new ATOM 0 HB3 LYS A 77 4.275 10.797 -4.204 1.00 75.43 H new ATOM 0 HG2 LYS A 77 3.340 10.250 -1.967 1.00 72.20 H new ATOM 0 HG3 LYS A 77 2.242 9.099 -2.701 1.00 72.20 H new ATOM 0 HD2 LYS A 77 4.266 8.007 -1.734 1.00 32.02 H new ATOM 0 HD3 LYS A 77 4.093 7.700 -3.451 1.00 32.02 H new ATOM 0 HE2 LYS A 77 5.762 9.418 -3.979 1.00 13.34 H new ATOM 0 HE3 LYS A 77 5.860 9.894 -2.295 1.00 13.34 H new ATOM 0 HZ1 LYS A 77 7.276 8.258 -1.863 1.00 42.44 H new ATOM 0 HZ2 LYS A 77 6.319 7.088 -2.636 1.00 42.44 H new ATOM 0 HZ3 LYS A 77 7.409 8.025 -3.539 1.00 42.44 H new ATOM 1237 N LYS A 78 1.761 12.220 -6.530 1.00 24.43 N ATOM 1238 CA LYS A 78 1.972 13.049 -7.734 1.00 34.13 C ATOM 1239 C LYS A 78 3.354 12.791 -8.372 1.00 22.10 C ATOM 1240 O LYS A 78 3.955 13.689 -8.969 1.00 52.23 O ATOM 1241 CB LYS A 78 1.815 14.541 -7.387 1.00 33.42 C ATOM 1242 CG LYS A 78 0.434 14.911 -6.849 1.00 32.52 C ATOM 1243 CD LYS A 78 -0.648 14.835 -7.926 1.00 1.31 C ATOM 1244 CE LYS A 78 -0.434 15.875 -9.021 1.00 23.00 C ATOM 1245 NZ LYS A 78 -0.462 17.263 -8.486 1.00 22.12 N ATOM 0 H LYS A 78 0.977 11.571 -6.602 1.00 24.43 H new ATOM 0 HA LYS A 78 1.214 12.769 -8.465 1.00 34.13 H new ATOM 0 HB2 LYS A 78 2.567 14.812 -6.646 1.00 33.42 H new ATOM 0 HB3 LYS A 78 2.017 15.134 -8.279 1.00 33.42 H new ATOM 0 HG2 LYS A 78 0.175 14.241 -6.029 1.00 32.52 H new ATOM 0 HG3 LYS A 78 0.465 15.920 -6.439 1.00 32.52 H new ATOM 0 HD2 LYS A 78 -0.652 13.838 -8.367 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -1.626 14.985 -7.469 1.00 1.31 H new ATOM 0 HE2 LYS A 78 0.523 15.694 -9.510 1.00 23.00 H new ATOM 0 HE3 LYS A 78 -1.207 15.764 -9.782 1.00 23.00 H new ATOM 0 HZ1 LYS A 78 -0.569 17.936 -9.272 1.00 22.12 H new ATOM 0 HZ2 LYS A 78 -1.263 17.366 -7.831 1.00 22.12 H new ATOM 0 HZ3 LYS A 78 0.426 17.458 -7.981 1.00 22.12 H new ATOM 1259 N THR A 79 3.835 11.550 -8.264 1.00 42.13 N ATOM 1260 CA THR A 79 5.161 11.179 -8.786 1.00 5.31 C ATOM 1261 C THR A 79 5.163 11.037 -10.318 1.00 53.13 C ATOM 1262 O THR A 79 5.009 9.937 -10.857 1.00 11.24 O ATOM 1263 CB THR A 79 5.683 9.860 -8.159 1.00 24.44 C ATOM 1264 OG1 THR A 79 4.740 8.798 -8.381 1.00 61.54 O ATOM 1265 CG2 THR A 79 5.933 10.020 -6.661 1.00 35.02 C ATOM 0 H THR A 79 3.330 10.783 -7.821 1.00 42.13 H new ATOM 0 HA THR A 79 5.826 11.996 -8.506 1.00 5.31 H new ATOM 0 HB THR A 79 6.629 9.613 -8.641 1.00 24.44 H new ATOM 0 HG1 THR A 79 4.412 8.839 -9.304 1.00 61.54 H new ATOM 0 HG21 THR A 79 6.298 9.079 -6.250 1.00 35.02 H new ATOM 0 HG22 THR A 79 6.677 10.800 -6.497 1.00 35.02 H new ATOM 0 HG23 THR A 79 5.003 10.296 -6.164 1.00 35.02 H new ATOM 1273 N LYS A 80 5.320 12.168 -11.003 1.00 1.55 N ATOM 1274 CA LYS A 80 5.417 12.209 -12.468 1.00 53.23 C ATOM 1275 C LYS A 80 5.735 13.640 -12.932 1.00 62.21 C ATOM 1276 O LYS A 80 4.834 14.454 -13.154 1.00 14.44 O ATOM 1277 CB LYS A 80 4.118 11.704 -13.133 1.00 54.34 C ATOM 1278 CG LYS A 80 4.169 11.595 -14.668 1.00 52.24 C ATOM 1279 CD LYS A 80 4.891 10.334 -15.173 1.00 44.24 C ATOM 1280 CE LYS A 80 6.407 10.391 -14.980 1.00 12.23 C ATOM 1281 NZ LYS A 80 7.100 9.232 -15.606 1.00 51.43 N ATOM 0 H LYS A 80 5.384 13.085 -10.561 1.00 1.55 H new ATOM 0 HA LYS A 80 6.225 11.545 -12.774 1.00 53.23 H new ATOM 0 HB2 LYS A 80 3.876 10.724 -12.723 1.00 54.34 H new ATOM 0 HB3 LYS A 80 3.304 12.375 -12.859 1.00 54.34 H new ATOM 0 HG2 LYS A 80 3.151 11.601 -15.058 1.00 52.24 H new ATOM 0 HG3 LYS A 80 4.670 12.476 -15.070 1.00 52.24 H new ATOM 0 HD2 LYS A 80 4.497 9.463 -14.649 1.00 44.24 H new ATOM 0 HD3 LYS A 80 4.671 10.196 -16.232 1.00 44.24 H new ATOM 0 HE2 LYS A 80 6.791 11.316 -15.409 1.00 12.23 H new ATOM 0 HE3 LYS A 80 6.635 10.415 -13.914 1.00 12.23 H new ATOM 0 HZ1 LYS A 80 8.125 9.314 -15.449 1.00 51.43 H new ATOM 0 HZ2 LYS A 80 6.754 8.349 -15.179 1.00 51.43 H new ATOM 0 HZ3 LYS A 80 6.906 9.222 -16.628 1.00 51.43 H new ATOM 1295 N ASP A 81 7.024 13.943 -13.055 1.00 20.10 N ATOM 1296 CA ASP A 81 7.478 15.300 -13.369 1.00 41.21 C ATOM 1297 C ASP A 81 7.684 15.512 -14.878 1.00 43.13 C ATOM 1298 O ASP A 81 8.534 14.868 -15.497 1.00 52.20 O ATOM 1299 CB ASP A 81 8.780 15.593 -12.611 1.00 3.33 C ATOM 1300 CG ASP A 81 9.330 16.978 -12.901 1.00 62.34 C ATOM 1301 OD1 ASP A 81 8.652 17.973 -12.573 1.00 24.33 O ATOM 1302 OD2 ASP A 81 10.440 17.080 -13.467 1.00 24.21 O ATOM 0 H ASP A 81 7.778 13.266 -12.942 1.00 20.10 H new ATOM 0 HA ASP A 81 6.698 15.993 -13.052 1.00 41.21 H new ATOM 0 HB2 ASP A 81 8.602 15.495 -11.540 1.00 3.33 H new ATOM 0 HB3 ASP A 81 9.527 14.847 -12.880 1.00 3.33 H new ATOM 1307 N MET A 82 6.896 16.421 -15.452 1.00 34.33 N ATOM 1308 CA MET A 82 7.035 16.821 -16.859 1.00 64.23 C ATOM 1309 C MET A 82 5.995 17.892 -17.217 1.00 41.05 C ATOM 1310 O MET A 82 4.805 17.720 -16.950 1.00 24.43 O ATOM 1311 CB MET A 82 6.880 15.617 -17.803 1.00 41.41 C ATOM 1312 CG MET A 82 7.144 15.954 -19.265 1.00 54.13 C ATOM 1313 SD MET A 82 6.967 14.529 -20.355 1.00 33.40 S ATOM 1314 CE MET A 82 7.425 15.253 -21.929 1.00 63.31 C ATOM 0 H MET A 82 6.144 16.902 -14.959 1.00 34.33 H new ATOM 0 HA MET A 82 8.037 17.231 -16.986 1.00 64.23 H new ATOM 0 HB2 MET A 82 7.566 14.829 -17.490 1.00 41.41 H new ATOM 0 HB3 MET A 82 5.870 15.217 -17.707 1.00 41.41 H new ATOM 0 HG2 MET A 82 6.455 16.736 -19.583 1.00 54.13 H new ATOM 0 HG3 MET A 82 8.152 16.358 -19.364 1.00 54.13 H new ATOM 0 HE1 MET A 82 7.365 14.494 -22.709 1.00 63.31 H new ATOM 0 HE2 MET A 82 6.744 16.071 -22.165 1.00 63.31 H new ATOM 0 HE3 MET A 82 8.444 15.635 -21.871 1.00 63.31 H new ATOM 1324 N MET A 83 6.447 18.992 -17.818 1.00 62.44 N ATOM 1325 CA MET A 83 5.547 20.087 -18.205 1.00 65.01 C ATOM 1326 C MET A 83 6.199 21.011 -19.254 1.00 51.23 C ATOM 1327 O MET A 83 7.069 21.832 -18.883 1.00 37.02 O ATOM 1328 CB MET A 83 5.132 20.892 -16.964 1.00 10.22 C ATOM 1329 CG MET A 83 4.059 21.936 -17.236 1.00 33.24 C ATOM 1330 SD MET A 83 3.578 22.827 -15.745 1.00 32.11 S ATOM 1331 CE MET A 83 2.334 23.934 -16.402 1.00 62.44 C ATOM 1332 OXT MET A 83 5.835 20.912 -20.446 1.00 37.02 O ATOM 0 H MET A 83 7.428 19.152 -18.049 1.00 62.44 H new ATOM 0 HA MET A 83 4.659 19.648 -18.659 1.00 65.01 H new ATOM 0 HB2 MET A 83 4.770 20.203 -16.201 1.00 10.22 H new ATOM 0 HB3 MET A 83 6.012 21.388 -16.554 1.00 10.22 H new ATOM 0 HG2 MET A 83 4.425 22.645 -17.978 1.00 33.24 H new ATOM 0 HG3 MET A 83 3.183 21.450 -17.665 1.00 33.24 H new ATOM 0 HE1 MET A 83 1.938 24.555 -15.598 1.00 62.44 H new ATOM 0 HE2 MET A 83 2.780 24.571 -17.166 1.00 62.44 H new ATOM 0 HE3 MET A 83 1.525 23.352 -16.842 1.00 62.44 H new TER 1342 MET A 83