USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 921 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 89 LYS NZ :NH3+ 178:sc= -0.0324 (180deg=-0.0385) USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -9.3! C(o=-10!,f=-9.3!) USER MOD Set 2.1: A 82 MET CE :methyl -175:sc= -12.7! (180deg=-10.1!) USER MOD Set 2.2: A 84 THR OG1 : rot 39:sc= -1.8 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.17 (180deg=-1.19) USER MOD Single : A 11 CYS SG : rot 120:sc= -5.55 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -3.19! C(o=-4.3!,f=-3.2!) USER MOD Single : A 13 ASN : amide:sc= -8.26! C(o=-8.3!,f=-8.3!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0.0049 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -2.16 X(o=-2.2,f=-2.6) USER MOD Single : A 21 MET CE :methyl -154:sc= -4.74 (180deg=-8.87!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0278 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= -0.946! (180deg=-1.22!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc=-0.000825 (180deg=-0.175) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 78 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.012) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc=-0.00354 (180deg=-0.0966) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -13.1! C(o=-13!,f=-15!) USER MOD Single : A 107 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.016) USER MOD Single : A 108 THR OG1 : rot -124:sc= -1.65 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -59:sc= 0.926 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.841 -0.023 -0.917 1.00 74.21 N ATOM 2 CA MET A 1 2.407 -0.177 -2.252 1.00 51.21 C ATOM 3 C MET A 1 1.842 0.871 -3.206 1.00 3.20 C ATOM 4 O MET A 1 0.939 0.586 -3.991 1.00 54.42 O ATOM 5 CB MET A 1 2.123 -1.580 -2.792 1.00 11.05 C ATOM 6 CG MET A 1 2.576 -2.692 -1.860 1.00 20.31 C ATOM 7 SD MET A 1 3.960 -3.636 -2.527 1.00 31.31 S ATOM 8 CE MET A 1 4.212 -4.836 -1.221 1.00 73.43 C ATOM 0 H1 MET A 1 2.571 -0.226 -0.205 1.00 74.21 H new ATOM 0 H2 MET A 1 1.500 0.952 -0.795 1.00 74.21 H new ATOM 0 H3 MET A 1 1.048 -0.685 -0.798 1.00 74.21 H new ATOM 0 HA MET A 1 3.485 -0.035 -2.180 1.00 51.21 H new ATOM 0 HB2 MET A 1 1.053 -1.681 -2.972 1.00 11.05 H new ATOM 0 HB3 MET A 1 2.621 -1.698 -3.754 1.00 11.05 H new ATOM 0 HG2 MET A 1 2.863 -2.262 -0.900 1.00 20.31 H new ATOM 0 HG3 MET A 1 1.740 -3.365 -1.670 1.00 20.31 H new ATOM 0 HE1 MET A 1 5.038 -5.495 -1.487 1.00 73.43 H new ATOM 0 HE2 MET A 1 4.446 -4.318 -0.291 1.00 73.43 H new ATOM 0 HE3 MET A 1 3.305 -5.426 -1.089 1.00 73.43 H new ATOM 18 N ALA A 2 2.381 2.084 -3.132 1.00 32.14 N ATOM 19 CA ALA A 2 1.931 3.173 -3.990 1.00 5.24 C ATOM 20 C ALA A 2 2.936 3.444 -5.104 1.00 41.14 C ATOM 21 O ALA A 2 2.626 4.127 -6.080 1.00 73.31 O ATOM 22 CB ALA A 2 1.701 4.432 -3.167 1.00 13.20 C ATOM 0 H ALA A 2 3.130 2.337 -2.487 1.00 32.14 H new ATOM 0 HA ALA A 2 0.989 2.875 -4.450 1.00 5.24 H new ATOM 0 HB1 ALA A 2 1.365 5.237 -3.820 1.00 13.20 H new ATOM 0 HB2 ALA A 2 0.941 4.238 -2.410 1.00 13.20 H new ATOM 0 HB3 ALA A 2 2.632 4.724 -2.680 1.00 13.20 H new ATOM 28 N ALA A 3 4.141 2.905 -4.952 1.00 44.42 N ATOM 29 CA ALA A 3 5.191 3.088 -5.947 1.00 0.21 C ATOM 30 C ALA A 3 5.097 4.464 -6.597 1.00 44.32 C ATOM 31 O ALA A 3 5.232 4.596 -7.813 1.00 42.11 O ATOM 32 CB ALA A 3 5.113 1.996 -7.004 1.00 14.52 C ATOM 0 H ALA A 3 4.415 2.338 -4.149 1.00 44.42 H new ATOM 0 HA ALA A 3 6.154 3.019 -5.440 1.00 0.21 H new ATOM 0 HB1 ALA A 3 5.903 2.145 -7.740 1.00 14.52 H new ATOM 0 HB2 ALA A 3 5.237 1.022 -6.531 1.00 14.52 H new ATOM 0 HB3 ALA A 3 4.143 2.038 -7.499 1.00 14.52 H new ATOM 38 N GLU A 4 4.865 5.486 -5.779 1.00 31.00 N ATOM 39 CA GLU A 4 4.752 6.852 -6.277 1.00 33.14 C ATOM 40 C GLU A 4 3.637 6.963 -7.313 1.00 62.20 C ATOM 41 O GLU A 4 3.871 6.801 -8.510 1.00 44.52 O ATOM 42 CB GLU A 4 6.079 7.307 -6.888 1.00 14.23 C ATOM 43 CG GLU A 4 5.973 8.601 -7.678 1.00 33.22 C ATOM 44 CD GLU A 4 6.536 8.476 -9.080 1.00 61.41 C ATOM 45 OE1 GLU A 4 7.615 7.867 -9.234 1.00 44.14 O ATOM 46 OE2 GLU A 4 5.897 8.987 -10.023 1.00 74.44 O ATOM 0 H GLU A 4 4.752 5.394 -4.769 1.00 31.00 H new ATOM 0 HA GLU A 4 4.507 7.500 -5.435 1.00 33.14 H new ATOM 0 HB2 GLU A 4 6.811 7.437 -6.091 1.00 14.23 H new ATOM 0 HB3 GLU A 4 6.456 6.521 -7.543 1.00 14.23 H new ATOM 0 HG2 GLU A 4 4.927 8.902 -7.736 1.00 33.22 H new ATOM 0 HG3 GLU A 4 6.503 9.391 -7.147 1.00 33.22 H new ATOM 53 N GLU A 5 2.425 7.239 -6.843 1.00 32.34 N ATOM 54 CA GLU A 5 1.274 7.370 -7.728 1.00 60.44 C ATOM 55 C GLU A 5 1.124 8.808 -8.217 1.00 21.52 C ATOM 56 O GLU A 5 2.085 9.576 -8.222 1.00 14.33 O ATOM 57 CB GLU A 5 -0.003 6.927 -7.011 1.00 0.53 C ATOM 58 CG GLU A 5 0.200 5.743 -6.081 1.00 4.01 C ATOM 59 CD GLU A 5 0.093 4.412 -6.800 1.00 10.14 C ATOM 60 OE1 GLU A 5 0.424 4.360 -8.003 1.00 32.12 O ATOM 61 OE2 GLU A 5 -0.322 3.423 -6.160 1.00 2.44 O ATOM 0 H GLU A 5 2.215 7.376 -5.854 1.00 32.34 H new ATOM 0 HA GLU A 5 1.438 6.726 -8.592 1.00 60.44 H new ATOM 0 HB2 GLU A 5 -0.397 7.766 -6.437 1.00 0.53 H new ATOM 0 HB3 GLU A 5 -0.756 6.669 -7.755 1.00 0.53 H new ATOM 0 HG2 GLU A 5 1.180 5.820 -5.610 1.00 4.01 H new ATOM 0 HG3 GLU A 5 -0.541 5.781 -5.283 1.00 4.01 H new ATOM 68 N GLY A 6 -0.089 9.163 -8.628 1.00 53.41 N ATOM 69 CA GLY A 6 -0.344 10.507 -9.114 1.00 5.24 C ATOM 70 C GLY A 6 -0.608 11.489 -7.990 1.00 14.23 C ATOM 71 O GLY A 6 -1.299 12.490 -8.180 1.00 14.20 O ATOM 0 H GLY A 6 -0.900 8.544 -8.633 1.00 53.41 H new ATOM 0 HA2 GLY A 6 0.512 10.848 -9.697 1.00 5.24 H new ATOM 0 HA3 GLY A 6 -1.201 10.490 -9.787 1.00 5.24 H new ATOM 75 N VAL A 7 -0.059 11.203 -6.814 1.00 31.44 N ATOM 76 CA VAL A 7 -0.240 12.068 -5.654 1.00 70.21 C ATOM 77 C VAL A 7 1.029 12.857 -5.354 1.00 25.34 C ATOM 78 O VAL A 7 2.059 12.668 -6.002 1.00 31.32 O ATOM 79 CB VAL A 7 -0.635 11.257 -4.405 1.00 54.54 C ATOM 80 CG1 VAL A 7 -1.488 10.059 -4.794 1.00 52.41 C ATOM 81 CG2 VAL A 7 0.604 10.815 -3.643 1.00 45.03 C ATOM 0 H VAL A 7 0.515 10.378 -6.639 1.00 31.44 H new ATOM 0 HA VAL A 7 -1.046 12.760 -5.898 1.00 70.21 H new ATOM 0 HB VAL A 7 -1.227 11.897 -3.750 1.00 54.54 H new ATOM 0 HG11 VAL A 7 -1.757 9.498 -3.899 1.00 52.41 H new ATOM 0 HG12 VAL A 7 -2.394 10.404 -5.292 1.00 52.41 H new ATOM 0 HG13 VAL A 7 -0.925 9.415 -5.470 1.00 52.41 H new ATOM 0 HG21 VAL A 7 0.306 10.244 -2.764 1.00 45.03 H new ATOM 0 HG22 VAL A 7 1.225 10.192 -4.287 1.00 45.03 H new ATOM 0 HG23 VAL A 7 1.171 11.692 -3.331 1.00 45.03 H new ATOM 91 N VAL A 8 0.949 13.742 -4.365 1.00 45.14 N ATOM 92 CA VAL A 8 2.093 14.560 -3.977 1.00 34.51 C ATOM 93 C VAL A 8 3.334 13.701 -3.761 1.00 51.21 C ATOM 94 O VAL A 8 3.522 13.123 -2.690 1.00 64.24 O ATOM 95 CB VAL A 8 1.802 15.355 -2.691 1.00 2.44 C ATOM 96 CG1 VAL A 8 0.617 16.286 -2.895 1.00 14.14 C ATOM 97 CG2 VAL A 8 1.554 14.411 -1.524 1.00 64.55 C ATOM 0 H VAL A 8 0.105 13.911 -3.818 1.00 45.14 H new ATOM 0 HA VAL A 8 2.276 15.258 -4.794 1.00 34.51 H new ATOM 0 HB VAL A 8 2.675 15.963 -2.456 1.00 2.44 H new ATOM 0 HG11 VAL A 8 0.427 16.839 -1.975 1.00 14.14 H new ATOM 0 HG12 VAL A 8 0.839 16.986 -3.700 1.00 14.14 H new ATOM 0 HG13 VAL A 8 -0.265 15.701 -3.156 1.00 14.14 H new ATOM 0 HG21 VAL A 8 1.350 14.991 -0.624 1.00 64.55 H new ATOM 0 HG22 VAL A 8 0.698 13.774 -1.747 1.00 64.55 H new ATOM 0 HG23 VAL A 8 2.436 13.791 -1.364 1.00 64.55 H new ATOM 107 N ILE A 9 4.178 13.623 -4.784 1.00 51.34 N ATOM 108 CA ILE A 9 5.402 12.837 -4.706 1.00 25.32 C ATOM 109 C ILE A 9 6.144 13.102 -3.400 1.00 13.41 C ATOM 110 O ILE A 9 5.837 14.055 -2.683 1.00 62.51 O ATOM 111 CB ILE A 9 6.343 13.139 -5.887 1.00 52.44 C ATOM 112 CG1 ILE A 9 5.573 13.078 -7.208 1.00 42.25 C ATOM 113 CG2 ILE A 9 7.508 12.161 -5.901 1.00 51.21 C ATOM 114 CD1 ILE A 9 4.767 11.810 -7.380 1.00 62.21 C ATOM 0 H ILE A 9 4.036 14.095 -5.677 1.00 51.34 H new ATOM 0 HA ILE A 9 5.105 11.789 -4.747 1.00 25.32 H new ATOM 0 HB ILE A 9 6.742 14.146 -5.766 1.00 52.44 H new ATOM 0 HG12 ILE A 9 4.903 13.936 -7.268 1.00 42.25 H new ATOM 0 HG13 ILE A 9 6.278 13.165 -8.035 1.00 42.25 H new ATOM 0 HG21 ILE A 9 8.164 12.388 -6.742 1.00 51.21 H new ATOM 0 HG22 ILE A 9 8.068 12.249 -4.970 1.00 51.21 H new ATOM 0 HG23 ILE A 9 7.128 11.144 -6.001 1.00 51.21 H new ATOM 0 HD11 ILE A 9 4.248 11.836 -8.338 1.00 62.21 H new ATOM 0 HD12 ILE A 9 5.434 10.948 -7.352 1.00 62.21 H new ATOM 0 HD13 ILE A 9 4.037 11.730 -6.574 1.00 62.21 H new ATOM 126 N ALA A 10 7.122 12.255 -3.098 1.00 72.11 N ATOM 127 CA ALA A 10 7.910 12.400 -1.881 1.00 11.14 C ATOM 128 C ALA A 10 9.363 12.000 -2.116 1.00 14.51 C ATOM 129 O ALA A 10 9.760 10.872 -1.826 1.00 25.51 O ATOM 130 CB ALA A 10 7.307 11.568 -0.759 1.00 34.21 C ATOM 0 H ALA A 10 7.388 11.461 -3.680 1.00 72.11 H new ATOM 0 HA ALA A 10 7.892 13.450 -1.590 1.00 11.14 H new ATOM 0 HB1 ALA A 10 7.906 11.686 0.144 1.00 34.21 H new ATOM 0 HB2 ALA A 10 6.288 11.903 -0.565 1.00 34.21 H new ATOM 0 HB3 ALA A 10 7.294 10.518 -1.051 1.00 34.21 H new ATOM 136 N CYS A 11 10.149 12.932 -2.643 1.00 64.23 N ATOM 137 CA CYS A 11 11.559 12.676 -2.919 1.00 74.41 C ATOM 138 C CYS A 11 12.341 12.489 -1.623 1.00 60.33 C ATOM 139 O CYS A 11 11.780 12.569 -0.530 1.00 22.21 O ATOM 140 CB CYS A 11 12.158 13.825 -3.730 1.00 2.41 C ATOM 141 SG CYS A 11 12.285 15.383 -2.820 1.00 73.21 S ATOM 0 H CYS A 11 9.835 13.871 -2.888 1.00 64.23 H new ATOM 0 HA CYS A 11 11.629 11.756 -3.500 1.00 74.41 H new ATOM 0 HB2 CYS A 11 13.151 13.535 -4.073 1.00 2.41 H new ATOM 0 HB3 CYS A 11 11.548 13.985 -4.619 1.00 2.41 H new ATOM 0 HG CYS A 11 13.530 15.752 -2.763 1.00 73.21 H new ATOM 147 N HIS A 12 13.640 12.237 -1.753 1.00 51.43 N ATOM 148 CA HIS A 12 14.500 12.038 -0.592 1.00 71.43 C ATOM 149 C HIS A 12 15.951 11.836 -1.019 1.00 53.11 C ATOM 150 O HIS A 12 16.678 11.042 -0.424 1.00 1.40 O ATOM 151 CB HIS A 12 14.023 10.834 0.221 1.00 63.43 C ATOM 152 CG HIS A 12 13.055 11.189 1.306 1.00 13.32 C ATOM 153 ND1 HIS A 12 11.729 10.943 1.426 1.00 42.40 N flip ATOM 154 CD2 HIS A 12 13.417 11.885 2.440 1.00 61.33 C flip ATOM 155 CE1 HIS A 12 11.319 11.488 2.618 1.00 40.13 C flip ATOM 156 NE2 HIS A 12 12.357 12.050 3.211 1.00 64.52 N flip ATOM 0 H HIS A 12 14.120 12.166 -2.650 1.00 51.43 H new ATOM 0 HA HIS A 12 14.444 12.932 0.029 1.00 71.43 H new ATOM 0 HB2 HIS A 12 13.555 10.115 -0.451 1.00 63.43 H new ATOM 0 HB3 HIS A 12 14.888 10.340 0.664 1.00 63.43 H new ATOM 0 HD2 HIS A 12 14.412 12.240 2.663 1.00 61.33 H new ATOM 0 HE1 HIS A 12 10.312 11.461 3.007 1.00 40.13 H new ATOM 0 HE2 HIS A 12 12.343 12.530 4.111 1.00 64.52 H new ATOM 164 N ASN A 13 16.364 12.560 -2.054 1.00 71.14 N ATOM 165 CA ASN A 13 17.728 12.459 -2.562 1.00 14.33 C ATOM 166 C ASN A 13 17.913 13.330 -3.801 1.00 12.35 C ATOM 167 O ASN A 13 18.786 13.073 -4.630 1.00 33.23 O ATOM 168 CB ASN A 13 18.065 11.004 -2.893 1.00 13.13 C ATOM 169 CG ASN A 13 17.984 10.716 -4.379 1.00 73.53 C ATOM 170 OD1 ASN A 13 18.992 10.748 -5.085 1.00 31.40 O ATOM 171 ND2 ASN A 13 16.780 10.432 -4.862 1.00 35.21 N ATOM 0 H ASN A 13 15.774 13.223 -2.557 1.00 71.14 H new ATOM 0 HA ASN A 13 18.405 12.814 -1.785 1.00 14.33 H new ATOM 0 HB2 ASN A 13 19.069 10.776 -2.536 1.00 13.13 H new ATOM 0 HB3 ASN A 13 17.380 10.345 -2.360 1.00 13.13 H new ATOM 0 HD21 ASN A 13 16.664 10.229 -5.855 1.00 35.21 H new ATOM 0 HD22 ASN A 13 15.972 10.417 -4.240 1.00 35.21 H new ATOM 178 N LYS A 14 17.086 14.363 -3.920 1.00 13.33 N ATOM 179 CA LYS A 14 17.158 15.275 -5.055 1.00 71.14 C ATOM 180 C LYS A 14 16.765 14.566 -6.348 1.00 15.43 C ATOM 181 O LYS A 14 15.732 14.872 -6.945 1.00 21.23 O ATOM 182 CB LYS A 14 18.570 15.849 -5.186 1.00 4.23 C ATOM 183 CG LYS A 14 18.950 16.214 -6.611 1.00 34.24 C ATOM 184 CD LYS A 14 19.893 17.404 -6.649 1.00 44.12 C ATOM 185 CE LYS A 14 19.254 18.642 -6.040 1.00 52.41 C ATOM 186 NZ LYS A 14 19.640 19.882 -6.769 1.00 43.03 N ATOM 0 H LYS A 14 16.357 14.590 -3.243 1.00 13.33 H new ATOM 0 HA LYS A 14 16.456 16.090 -4.879 1.00 71.14 H new ATOM 0 HB2 LYS A 14 18.652 16.737 -4.559 1.00 4.23 H new ATOM 0 HB3 LYS A 14 19.286 15.121 -4.803 1.00 4.23 H new ATOM 0 HG2 LYS A 14 19.423 15.358 -7.093 1.00 34.24 H new ATOM 0 HG3 LYS A 14 18.050 16.444 -7.181 1.00 34.24 H new ATOM 0 HD2 LYS A 14 20.808 17.162 -6.108 1.00 44.12 H new ATOM 0 HD3 LYS A 14 20.178 17.611 -7.681 1.00 44.12 H new ATOM 0 HE2 LYS A 14 18.169 18.535 -6.055 1.00 52.41 H new ATOM 0 HE3 LYS A 14 19.552 18.728 -4.995 1.00 52.41 H new ATOM 0 HZ1 LYS A 14 18.962 20.639 -6.549 1.00 43.03 H new ATOM 0 HZ2 LYS A 14 20.593 20.175 -6.475 1.00 43.03 H new ATOM 0 HZ3 LYS A 14 19.635 19.699 -7.793 1.00 43.03 H new ATOM 200 N ASP A 15 17.593 13.619 -6.773 1.00 33.20 N ATOM 201 CA ASP A 15 17.330 12.865 -7.993 1.00 73.23 C ATOM 202 C ASP A 15 15.832 12.783 -8.269 1.00 74.50 C ATOM 203 O ASP A 15 15.390 12.952 -9.405 1.00 43.10 O ATOM 204 CB ASP A 15 17.919 11.458 -7.886 1.00 22.42 C ATOM 205 CG ASP A 15 18.507 10.975 -9.197 1.00 24.41 C ATOM 206 OD1 ASP A 15 19.527 11.546 -9.636 1.00 12.42 O ATOM 207 OD2 ASP A 15 17.948 10.025 -9.785 1.00 14.13 O ATOM 0 H ASP A 15 18.452 13.355 -6.291 1.00 33.20 H new ATOM 0 HA ASP A 15 17.806 13.387 -8.823 1.00 73.23 H new ATOM 0 HB2 ASP A 15 18.693 11.449 -7.119 1.00 22.42 H new ATOM 0 HB3 ASP A 15 17.142 10.766 -7.563 1.00 22.42 H new ATOM 212 N GLU A 16 15.056 12.520 -7.222 1.00 12.01 N ATOM 213 CA GLU A 16 13.607 12.413 -7.353 1.00 4.32 C ATOM 214 C GLU A 16 12.961 13.795 -7.388 1.00 41.24 C ATOM 215 O GLU A 16 12.079 14.059 -8.206 1.00 1.52 O ATOM 216 CB GLU A 16 13.027 11.597 -6.196 1.00 63.43 C ATOM 217 CG GLU A 16 14.072 10.812 -5.421 1.00 62.43 C ATOM 218 CD GLU A 16 13.499 9.574 -4.758 1.00 40.20 C ATOM 219 OE1 GLU A 16 12.499 9.704 -4.021 1.00 45.42 O ATOM 220 OE2 GLU A 16 14.051 8.475 -4.977 1.00 13.33 O ATOM 0 H GLU A 16 15.406 12.377 -6.275 1.00 12.01 H new ATOM 0 HA GLU A 16 13.389 11.904 -8.292 1.00 4.32 H new ATOM 0 HB2 GLU A 16 12.509 12.269 -5.512 1.00 63.43 H new ATOM 0 HB3 GLU A 16 12.282 10.905 -6.588 1.00 63.43 H new ATOM 0 HG2 GLU A 16 14.876 10.519 -6.097 1.00 62.43 H new ATOM 0 HG3 GLU A 16 14.514 11.455 -4.660 1.00 62.43 H new ATOM 227 N PHE A 17 13.406 14.673 -6.496 1.00 1.24 N ATOM 228 CA PHE A 17 12.871 16.028 -6.423 1.00 32.31 C ATOM 229 C PHE A 17 12.910 16.702 -7.791 1.00 41.21 C ATOM 230 O PHE A 17 12.016 17.473 -8.141 1.00 70.21 O ATOM 231 CB PHE A 17 13.662 16.858 -5.410 1.00 32.33 C ATOM 232 CG PHE A 17 14.235 18.121 -5.986 1.00 72.34 C ATOM 233 CD1 PHE A 17 15.381 18.085 -6.764 1.00 50.11 C ATOM 234 CD2 PHE A 17 13.627 19.343 -5.751 1.00 51.43 C ATOM 235 CE1 PHE A 17 15.911 19.246 -7.295 1.00 74.02 C ATOM 236 CE2 PHE A 17 14.152 20.508 -6.280 1.00 72.41 C ATOM 237 CZ PHE A 17 15.295 20.458 -7.054 1.00 14.50 C ATOM 0 H PHE A 17 14.136 14.471 -5.813 1.00 1.24 H new ATOM 0 HA PHE A 17 11.833 15.965 -6.098 1.00 32.31 H new ATOM 0 HB2 PHE A 17 13.011 17.112 -4.574 1.00 32.33 H new ATOM 0 HB3 PHE A 17 14.473 16.250 -5.009 1.00 32.33 H new ATOM 0 HD1 PHE A 17 15.866 17.139 -6.958 1.00 50.11 H new ATOM 0 HD2 PHE A 17 12.732 19.387 -5.148 1.00 51.43 H new ATOM 0 HE1 PHE A 17 16.806 19.205 -7.898 1.00 74.02 H new ATOM 0 HE2 PHE A 17 13.669 21.455 -6.088 1.00 72.41 H new ATOM 0 HZ PHE A 17 15.706 21.366 -7.470 1.00 14.50 H new ATOM 247 N ASP A 18 13.953 16.407 -8.560 1.00 14.04 N ATOM 248 CA ASP A 18 14.110 16.984 -9.890 1.00 35.32 C ATOM 249 C ASP A 18 13.124 16.359 -10.873 1.00 0.14 C ATOM 250 O ASP A 18 12.640 17.024 -11.788 1.00 63.45 O ATOM 251 CB ASP A 18 15.542 16.786 -10.389 1.00 74.21 C ATOM 252 CG ASP A 18 16.388 18.033 -10.229 1.00 41.22 C ATOM 253 OD1 ASP A 18 15.821 19.145 -10.272 1.00 51.24 O ATOM 254 OD2 ASP A 18 17.618 17.898 -10.060 1.00 33.40 O ATOM 0 H ASP A 18 14.702 15.772 -8.285 1.00 14.04 H new ATOM 0 HA ASP A 18 13.901 18.052 -9.823 1.00 35.32 H new ATOM 0 HB2 ASP A 18 16.004 15.964 -9.842 1.00 74.21 H new ATOM 0 HB3 ASP A 18 15.521 16.497 -11.440 1.00 74.21 H new ATOM 259 N ALA A 19 12.832 15.078 -10.676 1.00 62.41 N ATOM 260 CA ALA A 19 11.904 14.364 -11.544 1.00 61.42 C ATOM 261 C ALA A 19 10.567 15.091 -11.634 1.00 73.31 C ATOM 262 O ALA A 19 9.815 14.909 -12.592 1.00 2.25 O ATOM 263 CB ALA A 19 11.701 12.941 -11.044 1.00 2.24 C ATOM 0 H ALA A 19 13.225 14.513 -9.923 1.00 62.41 H new ATOM 0 HA ALA A 19 12.336 14.327 -12.544 1.00 61.42 H new ATOM 0 HB1 ALA A 19 11.006 12.420 -11.702 1.00 2.24 H new ATOM 0 HB2 ALA A 19 12.657 12.417 -11.039 1.00 2.24 H new ATOM 0 HB3 ALA A 19 11.295 12.965 -10.033 1.00 2.24 H new ATOM 269 N GLN A 20 10.277 15.913 -10.631 1.00 33.22 N ATOM 270 CA GLN A 20 9.028 16.666 -10.597 1.00 65.32 C ATOM 271 C GLN A 20 9.257 18.118 -11.004 1.00 64.41 C ATOM 272 O GLN A 20 8.572 18.641 -11.882 1.00 45.50 O ATOM 273 CB GLN A 20 8.410 16.607 -9.199 1.00 63.23 C ATOM 274 CG GLN A 20 7.421 15.466 -9.019 1.00 5.41 C ATOM 275 CD GLN A 20 7.864 14.195 -9.716 1.00 74.10 C ATOM 276 OE1 GLN A 20 7.237 13.751 -10.679 1.00 22.02 O ATOM 277 NE2 GLN A 20 8.948 13.601 -9.233 1.00 24.14 N ATOM 0 H GLN A 20 10.889 16.075 -9.831 1.00 33.22 H new ATOM 0 HA GLN A 20 8.340 16.212 -11.310 1.00 65.32 H new ATOM 0 HB2 GLN A 20 9.207 16.506 -8.462 1.00 63.23 H new ATOM 0 HB3 GLN A 20 7.905 17.551 -8.994 1.00 63.23 H new ATOM 0 HG2 GLN A 20 7.292 15.266 -7.955 1.00 5.41 H new ATOM 0 HG3 GLN A 20 6.448 15.769 -9.407 1.00 5.41 H new ATOM 0 HE21 GLN A 20 9.437 14.004 -8.433 1.00 24.14 H new ATOM 0 HE22 GLN A 20 9.292 12.742 -9.661 1.00 24.14 H new ATOM 286 N MET A 21 10.225 18.762 -10.360 1.00 13.13 N ATOM 287 CA MET A 21 10.544 20.154 -10.656 1.00 21.22 C ATOM 288 C MET A 21 10.706 20.367 -12.157 1.00 61.15 C ATOM 289 O MET A 21 10.626 21.494 -12.648 1.00 24.22 O ATOM 290 CB MET A 21 11.824 20.572 -9.929 1.00 33.44 C ATOM 291 CG MET A 21 11.616 21.703 -8.935 1.00 42.21 C ATOM 292 SD MET A 21 11.286 21.109 -7.265 1.00 53.50 S ATOM 293 CE MET A 21 9.691 20.327 -7.493 1.00 60.44 C ATOM 0 H MET A 21 10.802 18.343 -9.631 1.00 13.13 H new ATOM 0 HA MET A 21 9.717 20.772 -10.306 1.00 21.22 H new ATOM 0 HB2 MET A 21 12.233 19.708 -9.404 1.00 33.44 H new ATOM 0 HB3 MET A 21 12.567 20.878 -10.665 1.00 33.44 H new ATOM 0 HG2 MET A 21 12.502 22.338 -8.922 1.00 42.21 H new ATOM 0 HG3 MET A 21 10.784 22.324 -9.266 1.00 42.21 H new ATOM 0 HE1 MET A 21 9.148 20.325 -6.548 1.00 60.44 H new ATOM 0 HE2 MET A 21 9.119 20.879 -8.239 1.00 60.44 H new ATOM 0 HE3 MET A 21 9.834 19.301 -7.831 1.00 60.44 H new ATOM 303 N THR A 22 10.935 19.277 -12.884 1.00 55.22 N ATOM 304 CA THR A 22 11.109 19.345 -14.329 1.00 42.25 C ATOM 305 C THR A 22 9.845 18.903 -15.058 1.00 0.15 C ATOM 306 O THR A 22 9.655 19.209 -16.235 1.00 32.21 O ATOM 307 CB THR A 22 12.288 18.470 -14.795 1.00 5.24 C ATOM 308 OG1 THR A 22 13.457 19.278 -14.974 1.00 50.14 O ATOM 309 CG2 THR A 22 11.953 17.758 -16.096 1.00 62.41 C ATOM 0 H THR A 22 11.004 18.337 -12.495 1.00 55.22 H new ATOM 0 HA THR A 22 11.320 20.386 -14.572 1.00 42.25 H new ATOM 0 HB THR A 22 12.480 17.719 -14.028 1.00 5.24 H new ATOM 0 HG1 THR A 22 14.202 18.714 -15.269 1.00 50.14 H new ATOM 0 HG21 THR A 22 12.801 17.146 -16.405 1.00 62.41 H new ATOM 0 HG22 THR A 22 11.081 17.121 -15.948 1.00 62.41 H new ATOM 0 HG23 THR A 22 11.737 18.495 -16.869 1.00 62.41 H new ATOM 317 N LYS A 23 8.982 18.182 -14.350 1.00 11.10 N ATOM 318 CA LYS A 23 7.733 17.699 -14.928 1.00 25.33 C ATOM 319 C LYS A 23 6.662 18.784 -14.893 1.00 32.33 C ATOM 320 O LYS A 23 5.469 18.494 -14.984 1.00 43.34 O ATOM 321 CB LYS A 23 7.245 16.460 -14.174 1.00 32.21 C ATOM 322 CG LYS A 23 7.527 15.156 -14.900 1.00 35.31 C ATOM 323 CD LYS A 23 7.387 13.960 -13.973 1.00 34.12 C ATOM 324 CE LYS A 23 8.513 12.959 -14.180 1.00 71.03 C ATOM 325 NZ LYS A 23 7.995 11.587 -14.439 1.00 71.01 N ATOM 0 H LYS A 23 9.125 17.919 -13.375 1.00 11.10 H new ATOM 0 HA LYS A 23 7.921 17.433 -15.968 1.00 25.33 H new ATOM 0 HB2 LYS A 23 7.721 16.431 -13.194 1.00 32.21 H new ATOM 0 HB3 LYS A 23 6.172 16.547 -14.005 1.00 32.21 H new ATOM 0 HG2 LYS A 23 6.839 15.050 -15.739 1.00 35.31 H new ATOM 0 HG3 LYS A 23 8.535 15.180 -15.315 1.00 35.31 H new ATOM 0 HD2 LYS A 23 7.386 14.299 -12.937 1.00 34.12 H new ATOM 0 HD3 LYS A 23 6.428 13.472 -14.149 1.00 34.12 H new ATOM 0 HE2 LYS A 23 9.132 13.278 -15.018 1.00 71.03 H new ATOM 0 HE3 LYS A 23 9.153 12.945 -13.298 1.00 71.03 H new ATOM 0 HZ1 LYS A 23 8.793 10.934 -14.575 1.00 71.01 H new ATOM 0 HZ2 LYS A 23 7.425 11.272 -13.628 1.00 71.01 H new ATOM 0 HZ3 LYS A 23 7.405 11.595 -15.295 1.00 71.01 H new ATOM 339 N ALA A 24 7.095 20.033 -14.761 1.00 2.11 N ATOM 340 CA ALA A 24 6.173 21.161 -14.718 1.00 31.04 C ATOM 341 C ALA A 24 6.481 22.165 -15.823 1.00 63.02 C ATOM 342 O ALA A 24 5.580 22.638 -16.516 1.00 61.53 O ATOM 343 CB ALA A 24 6.230 21.838 -13.356 1.00 65.12 C ATOM 0 H ALA A 24 8.079 20.289 -14.682 1.00 2.11 H new ATOM 0 HA ALA A 24 5.165 20.780 -14.880 1.00 31.04 H new ATOM 0 HB1 ALA A 24 5.536 22.679 -13.338 1.00 65.12 H new ATOM 0 HB2 ALA A 24 5.953 21.122 -12.582 1.00 65.12 H new ATOM 0 HB3 ALA A 24 7.242 22.199 -13.171 1.00 65.12 H new ATOM 349 N LYS A 25 7.760 22.488 -15.983 1.00 22.12 N ATOM 350 CA LYS A 25 8.189 23.436 -17.005 1.00 33.34 C ATOM 351 C LYS A 25 7.865 22.914 -18.401 1.00 23.21 C ATOM 352 O LYS A 25 7.299 23.631 -19.225 1.00 30.20 O ATOM 353 CB LYS A 25 9.691 23.703 -16.884 1.00 33.03 C ATOM 354 CG LYS A 25 10.534 22.440 -16.870 1.00 61.13 C ATOM 355 CD LYS A 25 11.714 22.568 -15.922 1.00 24.51 C ATOM 356 CE LYS A 25 12.318 23.963 -15.967 1.00 53.05 C ATOM 357 NZ LYS A 25 13.763 23.955 -15.607 1.00 74.32 N ATOM 0 H LYS A 25 8.518 22.107 -15.417 1.00 22.12 H new ATOM 0 HA LYS A 25 7.647 24.369 -16.850 1.00 33.34 H new ATOM 0 HB2 LYS A 25 10.008 24.332 -17.716 1.00 33.03 H new ATOM 0 HB3 LYS A 25 9.879 24.265 -15.969 1.00 33.03 H new ATOM 0 HG2 LYS A 25 9.917 21.593 -16.572 1.00 61.13 H new ATOM 0 HG3 LYS A 25 10.896 22.232 -17.877 1.00 61.13 H new ATOM 0 HD2 LYS A 25 11.391 22.343 -14.906 1.00 24.51 H new ATOM 0 HD3 LYS A 25 12.474 21.833 -16.185 1.00 24.51 H new ATOM 0 HE2 LYS A 25 12.195 24.379 -16.967 1.00 53.05 H new ATOM 0 HE3 LYS A 25 11.777 24.615 -15.281 1.00 53.05 H new ATOM 0 HZ1 LYS A 25 14.137 24.925 -15.650 1.00 74.32 H new ATOM 0 HZ2 LYS A 25 13.879 23.581 -14.643 1.00 74.32 H new ATOM 0 HZ3 LYS A 25 14.284 23.353 -16.276 1.00 74.32 H new ATOM 371 N GLU A 26 8.228 21.661 -18.658 1.00 73.21 N ATOM 372 CA GLU A 26 7.975 21.044 -19.955 1.00 54.20 C ATOM 373 C GLU A 26 6.489 20.742 -20.133 1.00 65.12 C ATOM 374 O GLU A 26 5.903 21.050 -21.170 1.00 73.22 O ATOM 375 CB GLU A 26 8.789 19.757 -20.100 1.00 42.13 C ATOM 376 CG GLU A 26 8.932 18.977 -18.804 1.00 55.30 C ATOM 377 CD GLU A 26 8.749 17.485 -18.998 1.00 75.41 C ATOM 378 OE1 GLU A 26 7.830 17.093 -19.748 1.00 70.32 O ATOM 379 OE2 GLU A 26 9.523 16.709 -18.400 1.00 71.44 O ATOM 0 H GLU A 26 8.698 21.054 -17.986 1.00 73.21 H new ATOM 0 HA GLU A 26 8.281 21.748 -20.729 1.00 54.20 H new ATOM 0 HB2 GLU A 26 8.315 19.120 -20.847 1.00 42.13 H new ATOM 0 HB3 GLU A 26 9.782 20.005 -20.476 1.00 42.13 H new ATOM 0 HG2 GLU A 26 9.917 19.166 -18.377 1.00 55.30 H new ATOM 0 HG3 GLU A 26 8.198 19.339 -18.084 1.00 55.30 H new ATOM 386 N ALA A 27 5.888 20.137 -19.114 1.00 64.41 N ATOM 387 CA ALA A 27 4.472 19.794 -19.157 1.00 24.32 C ATOM 388 C ALA A 27 3.606 21.046 -19.237 1.00 44.33 C ATOM 389 O ALA A 27 2.497 21.013 -19.768 1.00 62.24 O ATOM 390 CB ALA A 27 4.093 18.965 -17.938 1.00 61.14 C ATOM 0 H ALA A 27 6.360 19.874 -18.249 1.00 64.41 H new ATOM 0 HA ALA A 27 4.294 19.203 -20.055 1.00 24.32 H new ATOM 0 HB1 ALA A 27 3.033 18.716 -17.983 1.00 61.14 H new ATOM 0 HB2 ALA A 27 4.681 18.047 -17.925 1.00 61.14 H new ATOM 0 HB3 ALA A 27 4.293 19.537 -17.032 1.00 61.14 H new ATOM 396 N GLY A 28 4.121 22.151 -18.706 1.00 13.24 N ATOM 397 CA GLY A 28 3.380 23.399 -18.727 1.00 42.02 C ATOM 398 C GLY A 28 2.422 23.525 -17.559 1.00 60.14 C ATOM 399 O GLY A 28 1.330 24.076 -17.699 1.00 2.54 O ATOM 0 H GLY A 28 5.038 22.204 -18.262 1.00 13.24 H new ATOM 0 HA2 GLY A 28 4.080 24.234 -18.710 1.00 42.02 H new ATOM 0 HA3 GLY A 28 2.821 23.471 -19.660 1.00 42.02 H new ATOM 403 N LYS A 29 2.829 23.011 -16.404 1.00 24.31 N ATOM 404 CA LYS A 29 2.000 23.067 -15.206 1.00 50.00 C ATOM 405 C LYS A 29 2.778 23.653 -14.032 1.00 64.33 C ATOM 406 O LYS A 29 4.009 23.638 -14.022 1.00 4.23 O ATOM 407 CB LYS A 29 1.491 21.669 -14.847 1.00 55.23 C ATOM 408 CG LYS A 29 2.490 20.842 -14.057 1.00 14.11 C ATOM 409 CD LYS A 29 2.651 19.451 -14.645 1.00 71.45 C ATOM 410 CE LYS A 29 1.324 18.900 -15.146 1.00 24.33 C ATOM 411 NZ LYS A 29 1.188 17.443 -14.866 1.00 53.43 N ATOM 0 H LYS A 29 3.729 22.550 -16.272 1.00 24.31 H new ATOM 0 HA LYS A 29 1.149 23.715 -15.414 1.00 50.00 H new ATOM 0 HB2 LYS A 29 0.572 21.764 -14.268 1.00 55.23 H new ATOM 0 HB3 LYS A 29 1.237 21.138 -15.764 1.00 55.23 H new ATOM 0 HG2 LYS A 29 3.455 21.348 -14.047 1.00 14.11 H new ATOM 0 HG3 LYS A 29 2.161 20.764 -13.021 1.00 14.11 H new ATOM 0 HD2 LYS A 29 3.366 19.483 -15.467 1.00 71.45 H new ATOM 0 HD3 LYS A 29 3.062 18.781 -13.890 1.00 71.45 H new ATOM 0 HE2 LYS A 29 0.504 19.439 -14.671 1.00 24.33 H new ATOM 0 HE3 LYS A 29 1.241 19.073 -16.219 1.00 24.33 H new ATOM 0 HZ1 LYS A 29 0.271 17.105 -15.222 1.00 53.43 H new ATOM 0 HZ2 LYS A 29 1.956 16.925 -15.340 1.00 53.43 H new ATOM 0 HZ3 LYS A 29 1.242 17.280 -13.840 1.00 53.43 H new ATOM 425 N VAL A 30 2.053 24.166 -13.044 1.00 53.41 N ATOM 426 CA VAL A 30 2.675 24.754 -11.864 1.00 44.51 C ATOM 427 C VAL A 30 3.327 23.684 -10.995 1.00 53.34 C ATOM 428 O VAL A 30 3.023 22.498 -11.120 1.00 75.13 O ATOM 429 CB VAL A 30 1.651 25.533 -11.018 1.00 52.41 C ATOM 430 CG1 VAL A 30 1.774 25.157 -9.550 1.00 3.05 C ATOM 431 CG2 VAL A 30 1.831 27.032 -11.210 1.00 22.30 C ATOM 0 H VAL A 30 1.033 24.186 -13.037 1.00 53.41 H new ATOM 0 HA VAL A 30 3.440 25.444 -12.221 1.00 44.51 H new ATOM 0 HB VAL A 30 0.649 25.264 -11.354 1.00 52.41 H new ATOM 0 HG11 VAL A 30 1.042 25.718 -8.968 1.00 3.05 H new ATOM 0 HG12 VAL A 30 1.591 24.089 -9.431 1.00 3.05 H new ATOM 0 HG13 VAL A 30 2.777 25.394 -9.196 1.00 3.05 H new ATOM 0 HG21 VAL A 30 1.099 27.567 -10.605 1.00 22.30 H new ATOM 0 HG22 VAL A 30 2.836 27.320 -10.902 1.00 22.30 H new ATOM 0 HG23 VAL A 30 1.687 27.284 -12.261 1.00 22.30 H new ATOM 441 N VAL A 31 4.225 24.112 -10.114 1.00 20.54 N ATOM 442 CA VAL A 31 4.919 23.190 -9.222 1.00 1.22 C ATOM 443 C VAL A 31 4.586 23.481 -7.763 1.00 15.41 C ATOM 444 O VAL A 31 4.329 24.627 -7.391 1.00 44.01 O ATOM 445 CB VAL A 31 6.445 23.267 -9.413 1.00 65.31 C ATOM 446 CG1 VAL A 31 7.164 22.647 -8.225 1.00 5.05 C ATOM 447 CG2 VAL A 31 6.854 22.584 -10.709 1.00 63.44 C ATOM 0 H VAL A 31 4.489 25.090 -9.999 1.00 20.54 H new ATOM 0 HA VAL A 31 4.578 22.187 -9.476 1.00 1.22 H new ATOM 0 HB VAL A 31 6.734 24.316 -9.475 1.00 65.31 H new ATOM 0 HG11 VAL A 31 8.241 22.711 -8.378 1.00 5.05 H new ATOM 0 HG12 VAL A 31 6.894 23.184 -7.316 1.00 5.05 H new ATOM 0 HG13 VAL A 31 6.872 21.601 -8.129 1.00 5.05 H new ATOM 0 HG21 VAL A 31 7.936 22.648 -10.828 1.00 63.44 H new ATOM 0 HG22 VAL A 31 6.553 21.537 -10.679 1.00 63.44 H new ATOM 0 HG23 VAL A 31 6.367 23.077 -11.550 1.00 63.44 H new ATOM 457 N ILE A 32 4.591 22.438 -6.941 1.00 31.41 N ATOM 458 CA ILE A 32 4.291 22.582 -5.522 1.00 35.21 C ATOM 459 C ILE A 32 5.152 21.647 -4.680 1.00 1.02 C ATOM 460 O ILE A 32 4.818 20.476 -4.495 1.00 52.33 O ATOM 461 CB ILE A 32 2.806 22.296 -5.229 1.00 13.31 C ATOM 462 CG1 ILE A 32 1.912 23.142 -6.138 1.00 41.42 C ATOM 463 CG2 ILE A 32 2.492 22.570 -3.766 1.00 4.34 C ATOM 464 CD1 ILE A 32 1.447 22.412 -7.378 1.00 64.54 C ATOM 0 H ILE A 32 4.800 21.483 -7.233 1.00 31.41 H new ATOM 0 HA ILE A 32 4.514 23.615 -5.256 1.00 35.21 H new ATOM 0 HB ILE A 32 2.607 21.244 -5.432 1.00 13.31 H new ATOM 0 HG12 ILE A 32 1.041 23.471 -5.572 1.00 41.42 H new ATOM 0 HG13 ILE A 32 2.456 24.038 -6.436 1.00 41.42 H new ATOM 0 HG21 ILE A 32 1.439 22.363 -3.575 1.00 4.34 H new ATOM 0 HG22 ILE A 32 3.108 21.929 -3.135 1.00 4.34 H new ATOM 0 HG23 ILE A 32 2.704 23.615 -3.538 1.00 4.34 H new ATOM 0 HD11 ILE A 32 0.818 23.073 -7.975 1.00 64.54 H new ATOM 0 HD12 ILE A 32 2.312 22.106 -7.966 1.00 64.54 H new ATOM 0 HD13 ILE A 32 0.875 21.530 -7.088 1.00 64.54 H new ATOM 476 N ILE A 33 6.261 22.172 -4.170 1.00 40.20 N ATOM 477 CA ILE A 33 7.169 21.385 -3.345 1.00 0.43 C ATOM 478 C ILE A 33 6.868 21.575 -1.862 1.00 1.21 C ATOM 479 O ILE A 33 6.761 22.703 -1.379 1.00 70.40 O ATOM 480 CB ILE A 33 8.639 21.760 -3.611 1.00 20.23 C ATOM 481 CG1 ILE A 33 8.796 22.327 -5.023 1.00 61.43 C ATOM 482 CG2 ILE A 33 9.538 20.547 -3.418 1.00 13.54 C ATOM 483 CD1 ILE A 33 8.651 23.831 -5.090 1.00 63.23 C ATOM 0 H ILE A 33 6.552 23.139 -4.314 1.00 40.20 H new ATOM 0 HA ILE A 33 7.015 20.340 -3.614 1.00 0.43 H new ATOM 0 HB ILE A 33 8.938 22.527 -2.897 1.00 20.23 H new ATOM 0 HG12 ILE A 33 9.775 22.047 -5.411 1.00 61.43 H new ATOM 0 HG13 ILE A 33 8.052 21.869 -5.674 1.00 61.43 H new ATOM 0 HG21 ILE A 33 10.574 20.828 -3.609 1.00 13.54 H new ATOM 0 HG22 ILE A 33 9.444 20.183 -2.395 1.00 13.54 H new ATOM 0 HG23 ILE A 33 9.241 19.760 -4.111 1.00 13.54 H new ATOM 0 HD11 ILE A 33 8.774 24.163 -6.121 1.00 63.23 H new ATOM 0 HD12 ILE A 33 7.662 24.117 -4.732 1.00 63.23 H new ATOM 0 HD13 ILE A 33 9.412 24.298 -4.465 1.00 63.23 H new ATOM 495 N ASP A 34 6.735 20.465 -1.144 1.00 53.33 N ATOM 496 CA ASP A 34 6.449 20.509 0.285 1.00 22.31 C ATOM 497 C ASP A 34 7.698 20.186 1.099 1.00 65.21 C ATOM 498 O ASP A 34 7.991 19.021 1.372 1.00 54.34 O ATOM 499 CB ASP A 34 5.330 19.526 0.633 1.00 24.35 C ATOM 500 CG ASP A 34 4.796 18.801 -0.586 1.00 54.42 C ATOM 501 OD1 ASP A 34 4.539 19.471 -1.609 1.00 73.31 O ATOM 502 OD2 ASP A 34 4.635 17.565 -0.518 1.00 53.04 O ATOM 0 H ASP A 34 6.821 19.524 -1.528 1.00 53.33 H new ATOM 0 HA ASP A 34 6.125 21.519 0.535 1.00 22.31 H new ATOM 0 HB2 ASP A 34 5.702 18.796 1.352 1.00 24.35 H new ATOM 0 HB3 ASP A 34 4.515 20.064 1.118 1.00 24.35 H new ATOM 507 N PHE A 35 8.433 21.224 1.483 1.00 10.50 N ATOM 508 CA PHE A 35 9.652 21.051 2.264 1.00 44.52 C ATOM 509 C PHE A 35 9.337 20.495 3.649 1.00 12.02 C ATOM 510 O PHE A 35 8.224 20.036 3.908 1.00 12.15 O ATOM 511 CB PHE A 35 10.393 22.384 2.394 1.00 64.23 C ATOM 512 CG PHE A 35 11.155 22.769 1.158 1.00 40.12 C ATOM 513 CD1 PHE A 35 12.275 22.053 0.766 1.00 35.24 C ATOM 514 CD2 PHE A 35 10.752 23.848 0.388 1.00 53.12 C ATOM 515 CE1 PHE A 35 12.977 22.404 -0.371 1.00 5.44 C ATOM 516 CE2 PHE A 35 11.450 24.204 -0.750 1.00 43.23 C ATOM 517 CZ PHE A 35 12.565 23.482 -1.129 1.00 42.33 C ATOM 0 H PHE A 35 8.206 22.194 1.266 1.00 10.50 H new ATOM 0 HA PHE A 35 10.290 20.337 1.742 1.00 44.52 H new ATOM 0 HB2 PHE A 35 9.674 23.169 2.627 1.00 64.23 H new ATOM 0 HB3 PHE A 35 11.085 22.326 3.234 1.00 64.23 H new ATOM 0 HD1 PHE A 35 12.603 21.210 1.357 1.00 35.24 H new ATOM 0 HD2 PHE A 35 9.882 24.417 0.681 1.00 53.12 H new ATOM 0 HE1 PHE A 35 13.847 21.836 -0.666 1.00 5.44 H new ATOM 0 HE2 PHE A 35 11.124 25.046 -1.343 1.00 43.23 H new ATOM 0 HZ PHE A 35 13.114 23.760 -2.017 1.00 42.33 H new ATOM 527 N THR A 36 10.325 20.538 4.537 1.00 3.42 N ATOM 528 CA THR A 36 10.155 20.038 5.895 1.00 22.33 C ATOM 529 C THR A 36 11.501 19.855 6.586 1.00 25.24 C ATOM 530 O THR A 36 12.478 19.438 5.964 1.00 51.41 O ATOM 531 CB THR A 36 9.398 18.697 5.909 1.00 75.42 C ATOM 532 OG1 THR A 36 9.617 18.022 7.153 1.00 45.33 O ATOM 533 CG2 THR A 36 9.848 17.809 4.758 1.00 11.13 C ATOM 0 H THR A 36 11.252 20.914 4.340 1.00 3.42 H new ATOM 0 HA THR A 36 9.570 20.783 6.435 1.00 22.33 H new ATOM 0 HB THR A 36 8.334 18.905 5.792 1.00 75.42 H new ATOM 0 HG1 THR A 36 9.131 17.171 7.154 1.00 45.33 H new ATOM 0 HG21 THR A 36 9.299 16.868 4.789 1.00 11.13 H new ATOM 0 HG22 THR A 36 9.652 18.313 3.812 1.00 11.13 H new ATOM 0 HG23 THR A 36 10.916 17.610 4.848 1.00 11.13 H new ATOM 541 N ALA A 37 11.546 20.168 7.877 1.00 1.02 N ATOM 542 CA ALA A 37 12.773 20.035 8.654 1.00 53.25 C ATOM 543 C ALA A 37 12.956 18.605 9.150 1.00 12.24 C ATOM 544 O ALA A 37 13.897 17.917 8.757 1.00 44.03 O ATOM 545 CB ALA A 37 12.763 21.006 9.825 1.00 24.01 C ATOM 0 H ALA A 37 10.747 20.516 8.407 1.00 1.02 H new ATOM 0 HA ALA A 37 13.614 20.276 8.004 1.00 53.25 H new ATOM 0 HB1 ALA A 37 13.685 20.896 10.397 1.00 24.01 H new ATOM 0 HB2 ALA A 37 12.688 22.027 9.451 1.00 24.01 H new ATOM 0 HB3 ALA A 37 11.909 20.792 10.468 1.00 24.01 H new ATOM 551 N SER A 38 12.050 18.164 10.018 1.00 42.52 N ATOM 552 CA SER A 38 12.115 16.817 10.572 1.00 11.31 C ATOM 553 C SER A 38 10.848 16.492 11.358 1.00 25.12 C ATOM 554 O SER A 38 10.300 15.396 11.246 1.00 74.22 O ATOM 555 CB SER A 38 13.341 16.673 11.476 1.00 51.13 C ATOM 556 OG SER A 38 13.299 15.457 12.201 1.00 24.53 O ATOM 0 H SER A 38 11.263 18.720 10.352 1.00 42.52 H new ATOM 0 HA SER A 38 12.199 16.113 9.744 1.00 11.31 H new ATOM 0 HB2 SER A 38 14.248 16.709 10.873 1.00 51.13 H new ATOM 0 HB3 SER A 38 13.386 17.512 12.170 1.00 51.13 H new ATOM 0 HG SER A 38 14.094 15.388 12.770 1.00 24.53 H new ATOM 562 N TRP A 39 10.391 17.452 12.154 1.00 71.14 N ATOM 563 CA TRP A 39 9.189 17.269 12.959 1.00 20.54 C ATOM 564 C TRP A 39 7.934 17.419 12.107 1.00 71.32 C ATOM 565 O TRP A 39 7.127 16.494 12.006 1.00 71.23 O ATOM 566 CB TRP A 39 9.163 18.276 14.110 1.00 53.33 C ATOM 567 CG TRP A 39 10.465 18.372 14.845 1.00 30.04 C ATOM 568 CD1 TRP A 39 10.824 17.683 15.969 1.00 43.14 C ATOM 569 CD2 TRP A 39 11.579 19.206 14.510 1.00 1.44 C ATOM 570 NE1 TRP A 39 12.095 18.039 16.352 1.00 51.10 N ATOM 571 CE2 TRP A 39 12.580 18.971 15.473 1.00 0.34 C ATOM 572 CE3 TRP A 39 11.830 20.127 13.490 1.00 54.51 C ATOM 573 CZ2 TRP A 39 13.809 19.625 15.444 1.00 12.43 C ATOM 574 CZ3 TRP A 39 13.050 20.776 13.463 1.00 54.04 C ATOM 575 CH2 TRP A 39 14.027 20.522 14.434 1.00 40.10 C ATOM 0 H TRP A 39 10.834 18.365 12.259 1.00 71.14 H new ATOM 0 HA TRP A 39 9.207 16.259 13.369 1.00 20.54 H new ATOM 0 HB2 TRP A 39 8.902 19.259 13.717 1.00 53.33 H new ATOM 0 HB3 TRP A 39 8.378 17.995 14.812 1.00 53.33 H new ATOM 0 HD1 TRP A 39 10.201 16.965 16.481 1.00 43.14 H new ATOM 0 HE1 TRP A 39 12.596 17.669 17.160 1.00 51.10 H new ATOM 0 HE3 TRP A 39 11.084 20.328 12.736 1.00 54.51 H new ATOM 0 HZ2 TRP A 39 14.563 19.431 16.192 1.00 12.43 H new ATOM 0 HZ3 TRP A 39 13.253 21.491 12.680 1.00 54.04 H new ATOM 0 HH2 TRP A 39 14.971 21.044 14.385 1.00 40.10 H new ATOM 586 N CYS A 40 7.776 18.587 11.496 1.00 54.43 N ATOM 587 CA CYS A 40 6.617 18.858 10.652 1.00 42.14 C ATOM 588 C CYS A 40 5.379 19.133 11.499 1.00 22.21 C ATOM 589 O CYS A 40 5.307 18.731 12.660 1.00 60.24 O ATOM 590 CB CYS A 40 6.357 17.678 9.714 1.00 54.42 C ATOM 591 SG CYS A 40 5.362 18.095 8.262 1.00 31.15 S ATOM 0 H CYS A 40 8.435 19.362 11.569 1.00 54.43 H new ATOM 0 HA CYS A 40 6.831 19.746 10.057 1.00 42.14 H new ATOM 0 HB2 CYS A 40 7.313 17.274 9.382 1.00 54.42 H new ATOM 0 HB3 CYS A 40 5.854 16.888 10.272 1.00 54.42 H new ATOM 0 HG CYS A 40 5.198 17.034 7.529 1.00 31.15 H new ATOM 597 N GLY A 41 4.406 19.823 10.911 1.00 65.42 N ATOM 598 CA GLY A 41 3.185 20.141 11.627 1.00 42.20 C ATOM 599 C GLY A 41 2.351 18.911 11.927 1.00 5.31 C ATOM 600 O GLY A 41 2.756 18.031 12.686 1.00 25.41 O ATOM 0 H GLY A 41 4.442 20.167 9.952 1.00 65.42 H new ATOM 0 HA2 GLY A 41 3.436 20.643 12.562 1.00 42.20 H new ATOM 0 HA3 GLY A 41 2.594 20.842 11.038 1.00 42.20 H new ATOM 604 N PRO A 42 1.156 18.840 11.323 1.00 13.55 N ATOM 605 CA PRO A 42 0.237 17.714 11.516 1.00 3.30 C ATOM 606 C PRO A 42 0.749 16.432 10.869 1.00 22.34 C ATOM 607 O PRO A 42 0.989 15.434 11.551 1.00 14.42 O ATOM 608 CB PRO A 42 -1.048 18.183 10.829 1.00 1.33 C ATOM 609 CG PRO A 42 -0.595 19.174 9.813 1.00 4.24 C ATOM 610 CD PRO A 42 0.609 19.854 10.406 1.00 15.11 C ATOM 0 HA PRO A 42 0.108 17.469 12.570 1.00 3.30 H new ATOM 0 HB2 PRO A 42 -1.574 17.350 10.362 1.00 1.33 H new ATOM 0 HB3 PRO A 42 -1.736 18.635 11.543 1.00 1.33 H new ATOM 0 HG2 PRO A 42 -0.342 18.682 8.874 1.00 4.24 H new ATOM 0 HG3 PRO A 42 -1.382 19.895 9.593 1.00 4.24 H new ATOM 0 HD2 PRO A 42 1.331 20.133 9.639 1.00 15.11 H new ATOM 0 HD3 PRO A 42 0.335 20.767 10.934 1.00 15.11 H new ATOM 618 N CYS A 43 0.915 16.464 9.552 1.00 42.51 N ATOM 619 CA CYS A 43 1.399 15.304 8.813 1.00 32.51 C ATOM 620 C CYS A 43 0.290 14.271 8.637 1.00 64.22 C ATOM 621 O CYS A 43 0.129 13.696 7.560 1.00 43.10 O ATOM 622 CB CYS A 43 2.590 14.673 9.536 1.00 32.21 C ATOM 623 SG CYS A 43 3.852 14.000 8.431 1.00 64.34 S ATOM 0 H CYS A 43 0.721 17.281 8.973 1.00 42.51 H new ATOM 0 HA CYS A 43 1.719 15.640 7.826 1.00 32.51 H new ATOM 0 HB2 CYS A 43 3.049 15.423 10.180 1.00 32.21 H new ATOM 0 HB3 CYS A 43 2.227 13.875 10.184 1.00 32.21 H new ATOM 0 HG CYS A 43 4.819 13.491 9.135 1.00 64.34 H new ATOM 629 N ARG A 44 -0.470 14.039 9.702 1.00 52.13 N ATOM 630 CA ARG A 44 -1.562 13.073 9.665 1.00 3.45 C ATOM 631 C ARG A 44 -2.905 13.777 9.498 1.00 12.30 C ATOM 632 O ARG A 44 -3.824 13.244 8.875 1.00 43.50 O ATOM 633 CB ARG A 44 -1.570 12.233 10.944 1.00 71.13 C ATOM 634 CG ARG A 44 -0.372 11.306 11.071 1.00 10.32 C ATOM 635 CD ARG A 44 -0.529 10.070 10.200 1.00 32.43 C ATOM 636 NE ARG A 44 -1.489 9.123 10.762 1.00 23.22 N ATOM 637 CZ ARG A 44 -1.547 7.842 10.415 1.00 53.15 C ATOM 638 NH1 ARG A 44 -0.706 7.358 9.512 1.00 63.23 N ATOM 639 NH2 ARG A 44 -2.449 7.043 10.971 1.00 63.13 N ATOM 0 H ARG A 44 -0.350 14.506 10.601 1.00 52.13 H new ATOM 0 HA ARG A 44 -1.406 12.418 8.808 1.00 3.45 H new ATOM 0 HB2 ARG A 44 -1.596 12.899 11.806 1.00 71.13 H new ATOM 0 HB3 ARG A 44 -2.483 11.639 10.973 1.00 71.13 H new ATOM 0 HG2 ARG A 44 0.534 11.840 10.786 1.00 10.32 H new ATOM 0 HG3 ARG A 44 -0.252 11.006 12.112 1.00 10.32 H new ATOM 0 HD2 ARG A 44 -0.855 10.368 9.203 1.00 32.43 H new ATOM 0 HD3 ARG A 44 0.439 9.581 10.087 1.00 32.43 H new ATOM 0 HE ARG A 44 -2.151 9.464 11.459 1.00 23.22 H new ATOM 0 HH11 ARG A 44 -0.012 7.970 9.082 1.00 63.23 H new ATOM 0 HH12 ARG A 44 -0.753 6.374 9.247 1.00 63.23 H new ATOM 0 HH21 ARG A 44 -3.098 7.412 11.665 1.00 63.13 H new ATOM 0 HH22 ARG A 44 -2.493 6.060 10.704 1.00 63.13 H new ATOM 653 N PHE A 45 -3.012 14.977 10.059 1.00 55.31 N ATOM 654 CA PHE A 45 -4.244 15.754 9.973 1.00 22.22 C ATOM 655 C PHE A 45 -4.474 16.253 8.550 1.00 40.12 C ATOM 656 O PHE A 45 -5.595 16.215 8.041 1.00 23.40 O ATOM 657 CB PHE A 45 -4.192 16.939 10.939 1.00 15.15 C ATOM 658 CG PHE A 45 -5.496 17.677 11.053 1.00 30.53 C ATOM 659 CD1 PHE A 45 -5.867 18.607 10.096 1.00 44.11 C ATOM 660 CD2 PHE A 45 -6.351 17.439 12.117 1.00 31.23 C ATOM 661 CE1 PHE A 45 -7.065 19.288 10.199 1.00 71.41 C ATOM 662 CE2 PHE A 45 -7.551 18.116 12.225 1.00 32.13 C ATOM 663 CZ PHE A 45 -7.909 19.041 11.264 1.00 31.21 C ATOM 0 H PHE A 45 -2.261 15.433 10.578 1.00 55.31 H new ATOM 0 HA PHE A 45 -5.074 15.104 10.250 1.00 22.22 H new ATOM 0 HB2 PHE A 45 -3.899 16.581 11.926 1.00 15.15 H new ATOM 0 HB3 PHE A 45 -3.419 17.633 10.609 1.00 15.15 H new ATOM 0 HD1 PHE A 45 -5.212 18.802 9.260 1.00 44.11 H new ATOM 0 HD2 PHE A 45 -6.076 16.716 12.871 1.00 31.23 H new ATOM 0 HE1 PHE A 45 -7.341 20.013 9.447 1.00 71.41 H new ATOM 0 HE2 PHE A 45 -8.208 17.922 13.060 1.00 32.13 H new ATOM 0 HZ PHE A 45 -8.847 19.570 11.345 1.00 31.21 H new ATOM 673 N ILE A 46 -3.406 16.722 7.914 1.00 63.33 N ATOM 674 CA ILE A 46 -3.491 17.228 6.549 1.00 3.15 C ATOM 675 C ILE A 46 -2.877 16.244 5.559 1.00 55.32 C ATOM 676 O ILE A 46 -2.674 16.571 4.390 1.00 64.31 O ATOM 677 CB ILE A 46 -2.783 18.589 6.409 1.00 33.10 C ATOM 678 CG1 ILE A 46 -3.423 19.407 5.285 1.00 24.02 C ATOM 679 CG2 ILE A 46 -1.298 18.389 6.147 1.00 0.12 C ATOM 680 CD1 ILE A 46 -3.413 20.898 5.542 1.00 22.41 C ATOM 0 H ILE A 46 -2.472 16.762 8.322 1.00 63.33 H new ATOM 0 HA ILE A 46 -4.550 17.353 6.324 1.00 3.15 H new ATOM 0 HB ILE A 46 -2.896 19.139 7.343 1.00 33.10 H new ATOM 0 HG12 ILE A 46 -2.896 19.204 4.353 1.00 24.02 H new ATOM 0 HG13 ILE A 46 -4.453 19.077 5.147 1.00 24.02 H new ATOM 0 HG21 ILE A 46 -0.812 19.360 6.050 1.00 0.12 H new ATOM 0 HG22 ILE A 46 -0.853 17.841 6.977 1.00 0.12 H new ATOM 0 HG23 ILE A 46 -1.164 17.823 5.225 1.00 0.12 H new ATOM 0 HD11 ILE A 46 -3.882 21.415 4.705 1.00 22.41 H new ATOM 0 HD12 ILE A 46 -3.965 21.113 6.457 1.00 22.41 H new ATOM 0 HD13 ILE A 46 -2.384 21.242 5.650 1.00 22.41 H new ATOM 692 N ALA A 47 -2.587 15.038 6.034 1.00 31.32 N ATOM 693 CA ALA A 47 -2.001 14.005 5.190 1.00 61.54 C ATOM 694 C ALA A 47 -2.889 13.711 3.985 1.00 31.33 C ATOM 695 O ALA A 47 -2.461 13.790 2.834 1.00 50.43 O ATOM 696 CB ALA A 47 -1.764 12.736 5.995 1.00 20.32 C ATOM 0 H ALA A 47 -2.748 14.752 7.000 1.00 31.32 H new ATOM 0 HA ALA A 47 -1.043 14.372 4.822 1.00 61.54 H new ATOM 0 HB1 ALA A 47 -1.326 11.973 5.351 1.00 20.32 H new ATOM 0 HB2 ALA A 47 -1.084 12.950 6.819 1.00 20.32 H new ATOM 0 HB3 ALA A 47 -2.713 12.375 6.392 1.00 20.32 H new ATOM 702 N PRO A 48 -4.156 13.362 4.254 1.00 21.35 N ATOM 703 CA PRO A 48 -5.131 13.049 3.205 1.00 23.43 C ATOM 704 C PRO A 48 -5.537 14.281 2.405 1.00 40.30 C ATOM 705 O PRO A 48 -6.415 14.214 1.545 1.00 72.21 O ATOM 706 CB PRO A 48 -6.328 12.499 3.986 1.00 45.33 C ATOM 707 CG PRO A 48 -6.208 13.108 5.340 1.00 13.11 C ATOM 708 CD PRO A 48 -4.734 13.246 5.604 1.00 54.43 C ATOM 0 HA PRO A 48 -4.729 12.353 2.469 1.00 23.43 H new ATOM 0 HB2 PRO A 48 -7.270 12.772 3.511 1.00 45.33 H new ATOM 0 HB3 PRO A 48 -6.301 11.411 4.038 1.00 45.33 H new ATOM 0 HG2 PRO A 48 -6.703 14.078 5.377 1.00 13.11 H new ATOM 0 HG3 PRO A 48 -6.682 12.479 6.094 1.00 13.11 H new ATOM 0 HD2 PRO A 48 -4.515 14.124 6.212 1.00 54.43 H new ATOM 0 HD3 PRO A 48 -4.339 12.382 6.138 1.00 54.43 H new ATOM 716 N VAL A 49 -4.892 15.407 2.693 1.00 10.41 N ATOM 717 CA VAL A 49 -5.185 16.655 1.999 1.00 54.52 C ATOM 718 C VAL A 49 -4.167 16.923 0.896 1.00 10.54 C ATOM 719 O VAL A 49 -4.531 17.234 -0.238 1.00 72.31 O ATOM 720 CB VAL A 49 -5.198 17.849 2.972 1.00 54.42 C ATOM 721 CG1 VAL A 49 -5.027 19.157 2.215 1.00 52.44 C ATOM 722 CG2 VAL A 49 -6.484 17.859 3.785 1.00 23.04 C ATOM 0 H VAL A 49 -4.163 15.480 3.403 1.00 10.41 H new ATOM 0 HA VAL A 49 -6.175 16.546 1.557 1.00 54.52 H new ATOM 0 HB VAL A 49 -4.360 17.743 3.661 1.00 54.42 H new ATOM 0 HG11 VAL A 49 -5.039 19.989 2.919 1.00 52.44 H new ATOM 0 HG12 VAL A 49 -4.077 19.147 1.681 1.00 52.44 H new ATOM 0 HG13 VAL A 49 -5.843 19.274 1.502 1.00 52.44 H new ATOM 0 HG21 VAL A 49 -6.477 18.709 4.467 1.00 23.04 H new ATOM 0 HG22 VAL A 49 -7.339 17.940 3.113 1.00 23.04 H new ATOM 0 HG23 VAL A 49 -6.560 16.935 4.358 1.00 23.04 H new ATOM 732 N PHE A 50 -2.888 16.801 1.237 1.00 14.32 N ATOM 733 CA PHE A 50 -1.816 17.031 0.276 1.00 22.13 C ATOM 734 C PHE A 50 -1.875 16.012 -0.858 1.00 43.12 C ATOM 735 O PHE A 50 -2.239 16.344 -1.986 1.00 64.40 O ATOM 736 CB PHE A 50 -0.455 16.958 0.972 1.00 41.21 C ATOM 737 CG PHE A 50 -0.294 17.959 2.081 1.00 72.34 C ATOM 738 CD1 PHE A 50 -1.161 19.034 2.192 1.00 4.21 C ATOM 739 CD2 PHE A 50 0.724 17.824 3.011 1.00 33.10 C ATOM 740 CE1 PHE A 50 -1.016 19.957 3.211 1.00 23.54 C ATOM 741 CE2 PHE A 50 0.873 18.743 4.033 1.00 61.34 C ATOM 742 CZ PHE A 50 0.003 19.811 4.132 1.00 22.02 C ATOM 0 H PHE A 50 -2.569 16.544 2.171 1.00 14.32 H new ATOM 0 HA PHE A 50 -1.948 18.027 -0.147 1.00 22.13 H new ATOM 0 HB2 PHE A 50 -0.316 15.955 1.376 1.00 41.21 H new ATOM 0 HB3 PHE A 50 0.331 17.116 0.233 1.00 41.21 H new ATOM 0 HD1 PHE A 50 -1.959 19.152 1.474 1.00 4.21 H new ATOM 0 HD2 PHE A 50 1.408 16.992 2.937 1.00 33.10 H new ATOM 0 HE1 PHE A 50 -1.698 20.791 3.287 1.00 23.54 H new ATOM 0 HE2 PHE A 50 1.669 18.626 4.753 1.00 61.34 H new ATOM 0 HZ PHE A 50 0.119 20.531 4.928 1.00 22.02 H new ATOM 752 N ALA A 51 -1.513 14.771 -0.550 1.00 73.11 N ATOM 753 CA ALA A 51 -1.526 13.703 -1.542 1.00 51.12 C ATOM 754 C ALA A 51 -2.811 13.732 -2.364 1.00 4.15 C ATOM 755 O ALA A 51 -2.773 13.677 -3.592 1.00 51.02 O ATOM 756 CB ALA A 51 -1.361 12.351 -0.864 1.00 72.13 C ATOM 0 H ALA A 51 -1.207 14.480 0.379 1.00 73.11 H new ATOM 0 HA ALA A 51 -0.688 13.861 -2.221 1.00 51.12 H new ATOM 0 HB1 ALA A 51 -1.373 11.563 -1.617 1.00 72.13 H new ATOM 0 HB2 ALA A 51 -0.413 12.326 -0.327 1.00 72.13 H new ATOM 0 HB3 ALA A 51 -2.180 12.194 -0.162 1.00 72.13 H new ATOM 762 N GLU A 52 -3.945 13.818 -1.676 1.00 53.23 N ATOM 763 CA GLU A 52 -5.241 13.853 -2.344 1.00 32.21 C ATOM 764 C GLU A 52 -5.363 15.088 -3.232 1.00 30.13 C ATOM 765 O GLU A 52 -6.004 15.050 -4.282 1.00 72.11 O ATOM 766 CB GLU A 52 -6.372 13.839 -1.313 1.00 25.13 C ATOM 767 CG GLU A 52 -6.897 15.222 -0.967 1.00 21.02 C ATOM 768 CD GLU A 52 -8.122 15.174 -0.075 1.00 54.31 C ATOM 769 OE1 GLU A 52 -8.976 14.288 -0.286 1.00 32.12 O ATOM 770 OE2 GLU A 52 -8.227 16.024 0.834 1.00 11.22 O ATOM 0 H GLU A 52 -3.993 13.865 -0.658 1.00 53.23 H new ATOM 0 HA GLU A 52 -5.321 12.966 -2.972 1.00 32.21 H new ATOM 0 HB2 GLU A 52 -7.193 13.233 -1.695 1.00 25.13 H new ATOM 0 HB3 GLU A 52 -6.017 13.356 -0.403 1.00 25.13 H new ATOM 0 HG2 GLU A 52 -6.112 15.791 -0.469 1.00 21.02 H new ATOM 0 HG3 GLU A 52 -7.142 15.754 -1.886 1.00 21.02 H new ATOM 777 N TYR A 53 -4.744 16.182 -2.802 1.00 22.54 N ATOM 778 CA TYR A 53 -4.785 17.429 -3.555 1.00 2.32 C ATOM 779 C TYR A 53 -3.987 17.310 -4.850 1.00 10.42 C ATOM 780 O TYR A 53 -4.449 17.716 -5.916 1.00 30.40 O ATOM 781 CB TYR A 53 -4.236 18.579 -2.708 1.00 63.22 C ATOM 782 CG TYR A 53 -5.251 19.168 -1.755 1.00 73.04 C ATOM 783 CD1 TYR A 53 -6.482 18.554 -1.554 1.00 43.32 C ATOM 784 CD2 TYR A 53 -4.981 20.338 -1.057 1.00 52.43 C ATOM 785 CE1 TYR A 53 -7.413 19.089 -0.685 1.00 50.13 C ATOM 786 CE2 TYR A 53 -5.906 20.880 -0.185 1.00 61.44 C ATOM 787 CZ TYR A 53 -7.120 20.252 -0.003 1.00 33.51 C ATOM 788 OH TYR A 53 -8.045 20.788 0.864 1.00 43.22 O ATOM 0 H TYR A 53 -4.208 16.230 -1.936 1.00 22.54 H new ATOM 0 HA TYR A 53 -5.825 17.637 -3.808 1.00 2.32 H new ATOM 0 HB2 TYR A 53 -3.379 18.222 -2.137 1.00 63.22 H new ATOM 0 HB3 TYR A 53 -3.873 19.365 -3.370 1.00 63.22 H new ATOM 0 HD1 TYR A 53 -6.714 17.643 -2.086 1.00 43.32 H new ATOM 0 HD2 TYR A 53 -4.032 20.833 -1.198 1.00 52.43 H new ATOM 0 HE1 TYR A 53 -8.365 18.600 -0.540 1.00 50.13 H new ATOM 0 HE2 TYR A 53 -5.679 21.790 0.351 1.00 61.44 H new ATOM 0 HH TYR A 53 -7.683 21.606 1.264 1.00 43.22 H new ATOM 798 N ALA A 54 -2.786 16.751 -4.748 1.00 21.22 N ATOM 799 CA ALA A 54 -1.924 16.575 -5.910 1.00 2.21 C ATOM 800 C ALA A 54 -2.718 16.078 -7.113 1.00 14.32 C ATOM 801 O ALA A 54 -2.542 16.564 -8.230 1.00 53.43 O ATOM 802 CB ALA A 54 -0.793 15.610 -5.587 1.00 3.11 C ATOM 0 H ALA A 54 -2.388 16.412 -3.872 1.00 21.22 H new ATOM 0 HA ALA A 54 -1.498 17.545 -6.165 1.00 2.21 H new ATOM 0 HB1 ALA A 54 -0.157 15.488 -6.464 1.00 3.11 H new ATOM 0 HB2 ALA A 54 -0.201 16.006 -4.762 1.00 3.11 H new ATOM 0 HB3 ALA A 54 -1.209 14.643 -5.303 1.00 3.11 H new ATOM 808 N LYS A 55 -3.593 15.106 -6.878 1.00 13.44 N ATOM 809 CA LYS A 55 -4.416 14.543 -7.941 1.00 52.13 C ATOM 810 C LYS A 55 -5.571 15.477 -8.288 1.00 73.10 C ATOM 811 O LYS A 55 -5.878 15.694 -9.461 1.00 22.44 O ATOM 812 CB LYS A 55 -4.960 13.175 -7.523 1.00 52.12 C ATOM 813 CG LYS A 55 -3.899 12.244 -6.963 1.00 60.23 C ATOM 814 CD LYS A 55 -4.516 11.129 -6.136 1.00 20.15 C ATOM 815 CE LYS A 55 -5.481 10.291 -6.960 1.00 51.12 C ATOM 816 NZ LYS A 55 -4.782 9.199 -7.692 1.00 23.44 N ATOM 0 H LYS A 55 -3.750 14.692 -5.959 1.00 13.44 H new ATOM 0 HA LYS A 55 -3.790 14.423 -8.826 1.00 52.13 H new ATOM 0 HB2 LYS A 55 -5.739 13.317 -6.774 1.00 52.12 H new ATOM 0 HB3 LYS A 55 -5.429 12.701 -8.385 1.00 52.12 H new ATOM 0 HG2 LYS A 55 -3.322 11.814 -7.782 1.00 60.23 H new ATOM 0 HG3 LYS A 55 -3.203 12.813 -6.347 1.00 60.23 H new ATOM 0 HD2 LYS A 55 -3.727 10.491 -5.738 1.00 20.15 H new ATOM 0 HD3 LYS A 55 -5.042 11.556 -5.282 1.00 20.15 H new ATOM 0 HE2 LYS A 55 -6.239 9.862 -6.305 1.00 51.12 H new ATOM 0 HE3 LYS A 55 -6.001 10.931 -7.673 1.00 51.12 H new ATOM 0 HZ1 LYS A 55 -5.474 8.651 -8.242 1.00 23.44 H new ATOM 0 HZ2 LYS A 55 -4.076 9.609 -8.336 1.00 23.44 H new ATOM 0 HZ3 LYS A 55 -4.307 8.573 -7.011 1.00 23.44 H new ATOM 830 N LYS A 56 -6.209 16.029 -7.261 1.00 65.01 N ATOM 831 CA LYS A 56 -7.328 16.942 -7.456 1.00 53.22 C ATOM 832 C LYS A 56 -6.934 18.099 -8.370 1.00 35.35 C ATOM 833 O LYS A 56 -7.783 18.699 -9.029 1.00 74.20 O ATOM 834 CB LYS A 56 -7.812 17.484 -6.109 1.00 41.12 C ATOM 835 CG LYS A 56 -8.456 16.430 -5.225 1.00 52.14 C ATOM 836 CD LYS A 56 -9.826 16.872 -4.739 1.00 31.13 C ATOM 837 CE LYS A 56 -9.742 18.158 -3.931 1.00 35.24 C ATOM 838 NZ LYS A 56 -11.092 18.692 -3.597 1.00 21.12 N ATOM 0 H LYS A 56 -5.969 15.859 -6.284 1.00 65.01 H new ATOM 0 HA LYS A 56 -8.138 16.388 -7.930 1.00 53.22 H new ATOM 0 HB2 LYS A 56 -6.967 17.924 -5.579 1.00 41.12 H new ATOM 0 HB3 LYS A 56 -8.529 18.285 -6.286 1.00 41.12 H new ATOM 0 HG2 LYS A 56 -8.549 15.496 -5.779 1.00 52.14 H new ATOM 0 HG3 LYS A 56 -7.812 16.229 -4.369 1.00 52.14 H new ATOM 0 HD2 LYS A 56 -10.486 17.020 -5.594 1.00 31.13 H new ATOM 0 HD3 LYS A 56 -10.268 16.085 -4.128 1.00 31.13 H new ATOM 0 HE2 LYS A 56 -9.187 17.974 -3.011 1.00 35.24 H new ATOM 0 HE3 LYS A 56 -9.185 18.906 -4.495 1.00 35.24 H new ATOM 0 HZ1 LYS A 56 -10.992 19.569 -3.046 1.00 21.12 H new ATOM 0 HZ2 LYS A 56 -11.613 18.892 -4.475 1.00 21.12 H new ATOM 0 HZ3 LYS A 56 -11.615 17.989 -3.037 1.00 21.12 H new ATOM 852 N PHE A 57 -5.642 18.405 -8.404 1.00 41.44 N ATOM 853 CA PHE A 57 -5.136 19.490 -9.238 1.00 23.23 C ATOM 854 C PHE A 57 -4.177 18.958 -10.299 1.00 3.12 C ATOM 855 O PHE A 57 -2.962 18.903 -10.103 1.00 35.03 O ATOM 856 CB PHE A 57 -4.429 20.537 -8.375 1.00 14.43 C ATOM 857 CG PHE A 57 -5.355 21.587 -7.829 1.00 22.14 C ATOM 858 CD1 PHE A 57 -5.638 22.728 -8.561 1.00 53.42 C ATOM 859 CD2 PHE A 57 -5.942 21.432 -6.583 1.00 65.10 C ATOM 860 CE1 PHE A 57 -6.489 23.696 -8.061 1.00 22.15 C ATOM 861 CE2 PHE A 57 -6.793 22.396 -6.077 1.00 72.14 C ATOM 862 CZ PHE A 57 -7.068 23.529 -6.818 1.00 20.03 C ATOM 0 H PHE A 57 -4.926 17.918 -7.865 1.00 41.44 H new ATOM 0 HA PHE A 57 -5.984 19.955 -9.740 1.00 23.23 H new ATOM 0 HB2 PHE A 57 -3.931 20.036 -7.545 1.00 14.43 H new ATOM 0 HB3 PHE A 57 -3.653 21.021 -8.968 1.00 14.43 H new ATOM 0 HD1 PHE A 57 -5.189 22.863 -9.534 1.00 53.42 H new ATOM 0 HD2 PHE A 57 -5.732 20.547 -6.001 1.00 65.10 H new ATOM 0 HE1 PHE A 57 -6.701 24.582 -8.642 1.00 22.15 H new ATOM 0 HE2 PHE A 57 -7.242 22.264 -5.104 1.00 72.14 H new ATOM 0 HZ PHE A 57 -7.735 24.283 -6.426 1.00 20.03 H new ATOM 872 N PRO A 58 -4.734 18.556 -11.451 1.00 3.41 N ATOM 873 CA PRO A 58 -3.947 18.022 -12.566 1.00 60.24 C ATOM 874 C PRO A 58 -3.093 19.091 -13.239 1.00 0.44 C ATOM 875 O PRO A 58 -2.303 18.796 -14.134 1.00 40.53 O ATOM 876 CB PRO A 58 -5.012 17.502 -13.535 1.00 34.44 C ATOM 877 CG PRO A 58 -6.228 18.307 -13.229 1.00 2.12 C ATOM 878 CD PRO A 58 -6.174 18.594 -11.754 1.00 33.33 C ATOM 0 HA PRO A 58 -3.241 17.260 -12.237 1.00 60.24 H new ATOM 0 HB2 PRO A 58 -4.701 17.632 -14.572 1.00 34.44 H new ATOM 0 HB3 PRO A 58 -5.195 16.437 -13.388 1.00 34.44 H new ATOM 0 HG2 PRO A 58 -6.239 19.231 -13.806 1.00 2.12 H new ATOM 0 HG3 PRO A 58 -7.134 17.759 -13.487 1.00 2.12 H new ATOM 0 HD2 PRO A 58 -6.609 19.565 -11.518 1.00 33.33 H new ATOM 0 HD3 PRO A 58 -6.725 17.850 -11.179 1.00 33.33 H new ATOM 886 N GLY A 59 -3.257 20.336 -12.800 1.00 30.34 N ATOM 887 CA GLY A 59 -2.494 21.430 -13.370 1.00 41.31 C ATOM 888 C GLY A 59 -1.203 21.690 -12.619 1.00 51.42 C ATOM 889 O GLY A 59 -0.616 22.766 -12.734 1.00 70.24 O ATOM 0 H GLY A 59 -3.905 20.606 -12.060 1.00 30.34 H new ATOM 0 HA2 GLY A 59 -2.266 21.205 -14.412 1.00 41.31 H new ATOM 0 HA3 GLY A 59 -3.102 22.335 -13.365 1.00 41.31 H new ATOM 893 N ALA A 60 -0.761 20.704 -11.846 1.00 62.23 N ATOM 894 CA ALA A 60 0.469 20.831 -11.074 1.00 14.12 C ATOM 895 C ALA A 60 1.204 19.498 -10.988 1.00 71.15 C ATOM 896 O ALA A 60 0.678 18.460 -11.391 1.00 53.31 O ATOM 897 CB ALA A 60 0.164 21.358 -9.679 1.00 74.13 C ATOM 0 H ALA A 60 -1.236 19.808 -11.738 1.00 62.23 H new ATOM 0 HA ALA A 60 1.118 21.541 -11.586 1.00 14.12 H new ATOM 0 HB1 ALA A 60 1.091 21.448 -9.113 1.00 74.13 H new ATOM 0 HB2 ALA A 60 -0.311 22.336 -9.755 1.00 74.13 H new ATOM 0 HB3 ALA A 60 -0.507 20.668 -9.168 1.00 74.13 H new ATOM 903 N VAL A 61 2.424 19.533 -10.462 1.00 62.14 N ATOM 904 CA VAL A 61 3.232 18.327 -10.324 1.00 71.01 C ATOM 905 C VAL A 61 3.256 17.844 -8.878 1.00 53.41 C ATOM 906 O VAL A 61 3.292 16.642 -8.614 1.00 43.40 O ATOM 907 CB VAL A 61 4.678 18.563 -10.799 1.00 21.41 C ATOM 908 CG1 VAL A 61 4.690 19.166 -12.195 1.00 42.11 C ATOM 909 CG2 VAL A 61 5.422 19.455 -9.817 1.00 22.20 C ATOM 0 H VAL A 61 2.875 20.383 -10.124 1.00 62.14 H new ATOM 0 HA VAL A 61 2.771 17.564 -10.951 1.00 71.01 H new ATOM 0 HB VAL A 61 5.190 17.602 -10.841 1.00 21.41 H new ATOM 0 HG11 VAL A 61 5.720 19.326 -12.514 1.00 42.11 H new ATOM 0 HG12 VAL A 61 4.197 18.486 -12.889 1.00 42.11 H new ATOM 0 HG13 VAL A 61 4.162 20.119 -12.184 1.00 42.11 H new ATOM 0 HG21 VAL A 61 6.442 19.611 -10.168 1.00 22.20 H new ATOM 0 HG22 VAL A 61 4.913 20.416 -9.741 1.00 22.20 H new ATOM 0 HG23 VAL A 61 5.445 18.978 -8.837 1.00 22.20 H new ATOM 919 N PHE A 62 3.234 18.790 -7.944 1.00 62.52 N ATOM 920 CA PHE A 62 3.254 18.461 -6.524 1.00 12.14 C ATOM 921 C PHE A 62 4.464 17.597 -6.182 1.00 33.42 C ATOM 922 O PHE A 62 5.061 16.970 -7.058 1.00 74.50 O ATOM 923 CB PHE A 62 1.966 17.735 -6.128 1.00 41.25 C ATOM 924 CG PHE A 62 0.739 18.596 -6.224 1.00 41.10 C ATOM 925 CD1 PHE A 62 0.079 18.753 -7.432 1.00 32.30 C ATOM 926 CD2 PHE A 62 0.246 19.249 -5.106 1.00 3.42 C ATOM 927 CE1 PHE A 62 -1.051 19.544 -7.523 1.00 61.03 C ATOM 928 CE2 PHE A 62 -0.883 20.041 -5.191 1.00 10.50 C ATOM 929 CZ PHE A 62 -1.532 20.190 -6.401 1.00 43.04 C ATOM 0 H PHE A 62 3.202 19.789 -8.145 1.00 62.52 H new ATOM 0 HA PHE A 62 3.325 19.393 -5.963 1.00 12.14 H new ATOM 0 HB2 PHE A 62 1.839 16.862 -6.768 1.00 41.25 H new ATOM 0 HB3 PHE A 62 2.064 17.369 -5.106 1.00 41.25 H new ATOM 0 HD1 PHE A 62 0.452 18.252 -8.313 1.00 32.30 H new ATOM 0 HD2 PHE A 62 0.750 19.138 -4.157 1.00 3.42 H new ATOM 0 HE1 PHE A 62 -1.557 19.657 -8.470 1.00 61.03 H new ATOM 0 HE2 PHE A 62 -1.258 20.543 -4.312 1.00 10.50 H new ATOM 0 HZ PHE A 62 -2.414 20.810 -6.470 1.00 43.04 H new ATOM 939 N LEU A 63 4.821 17.569 -4.903 1.00 33.45 N ATOM 940 CA LEU A 63 5.960 16.782 -4.443 1.00 71.31 C ATOM 941 C LEU A 63 6.445 17.270 -3.082 1.00 24.30 C ATOM 942 O LEU A 63 6.361 18.458 -2.770 1.00 30.43 O ATOM 943 CB LEU A 63 7.100 16.856 -5.461 1.00 12.14 C ATOM 944 CG LEU A 63 8.514 16.723 -4.895 1.00 1.41 C ATOM 945 CD1 LEU A 63 9.072 15.336 -5.173 1.00 3.33 C ATOM 946 CD2 LEU A 63 9.425 17.794 -5.479 1.00 73.41 C ATOM 0 H LEU A 63 4.338 18.082 -4.166 1.00 33.45 H new ATOM 0 HA LEU A 63 5.638 15.746 -4.342 1.00 71.31 H new ATOM 0 HB2 LEU A 63 6.951 16.070 -6.201 1.00 12.14 H new ATOM 0 HB3 LEU A 63 7.029 17.808 -5.988 1.00 12.14 H new ATOM 0 HG LEU A 63 8.467 16.863 -3.815 1.00 1.41 H new ATOM 0 HD11 LEU A 63 10.079 15.260 -4.763 1.00 3.33 H new ATOM 0 HD12 LEU A 63 8.433 14.586 -4.707 1.00 3.33 H new ATOM 0 HD13 LEU A 63 9.105 15.166 -6.249 1.00 3.33 H new ATOM 0 HD21 LEU A 63 10.427 17.684 -5.065 1.00 73.41 H new ATOM 0 HD22 LEU A 63 9.466 17.685 -6.563 1.00 73.41 H new ATOM 0 HD23 LEU A 63 9.035 18.780 -5.228 1.00 73.41 H new ATOM 958 N LYS A 64 6.956 16.345 -2.276 1.00 1.44 N ATOM 959 CA LYS A 64 7.459 16.680 -0.949 1.00 2.43 C ATOM 960 C LYS A 64 8.936 16.321 -0.820 1.00 0.10 C ATOM 961 O LYS A 64 9.363 15.246 -1.241 1.00 74.22 O ATOM 962 CB LYS A 64 6.650 15.950 0.125 1.00 22.25 C ATOM 963 CG LYS A 64 7.484 15.016 0.985 1.00 3.12 C ATOM 964 CD LYS A 64 6.610 14.086 1.809 1.00 15.11 C ATOM 965 CE LYS A 64 5.531 13.435 0.957 1.00 52.30 C ATOM 966 NZ LYS A 64 5.196 12.066 1.437 1.00 71.12 N ATOM 0 H LYS A 64 7.033 15.357 -2.519 1.00 1.44 H new ATOM 0 HA LYS A 64 7.351 17.755 -0.808 1.00 2.43 H new ATOM 0 HB2 LYS A 64 6.166 16.686 0.767 1.00 22.25 H new ATOM 0 HB3 LYS A 64 5.857 15.377 -0.356 1.00 22.25 H new ATOM 0 HG2 LYS A 64 8.144 14.427 0.349 1.00 3.12 H new ATOM 0 HG3 LYS A 64 8.120 15.602 1.649 1.00 3.12 H new ATOM 0 HD2 LYS A 64 7.229 13.314 2.267 1.00 15.11 H new ATOM 0 HD3 LYS A 64 6.146 14.646 2.621 1.00 15.11 H new ATOM 0 HE2 LYS A 64 4.634 14.054 0.971 1.00 52.30 H new ATOM 0 HE3 LYS A 64 5.867 13.385 -0.079 1.00 52.30 H new ATOM 0 HZ1 LYS A 64 4.811 11.507 0.649 1.00 71.12 H new ATOM 0 HZ2 LYS A 64 6.055 11.606 1.801 1.00 71.12 H new ATOM 0 HZ3 LYS A 64 4.488 12.128 2.196 1.00 71.12 H new ATOM 980 N VAL A 65 9.712 17.227 -0.234 1.00 1.40 N ATOM 981 CA VAL A 65 11.141 17.005 -0.047 1.00 72.44 C ATOM 982 C VAL A 65 11.540 17.191 1.412 1.00 20.52 C ATOM 983 O VAL A 65 10.778 17.737 2.210 1.00 30.21 O ATOM 984 CB VAL A 65 11.976 17.958 -0.922 1.00 65.22 C ATOM 985 CG1 VAL A 65 11.158 18.454 -2.104 1.00 73.23 C ATOM 986 CG2 VAL A 65 12.494 19.125 -0.094 1.00 74.53 C ATOM 0 H VAL A 65 9.375 18.122 0.120 1.00 1.40 H new ATOM 0 HA VAL A 65 11.343 15.977 -0.347 1.00 72.44 H new ATOM 0 HB VAL A 65 12.833 17.408 -1.310 1.00 65.22 H new ATOM 0 HG11 VAL A 65 11.765 19.126 -2.710 1.00 73.23 H new ATOM 0 HG12 VAL A 65 10.842 17.605 -2.710 1.00 73.23 H new ATOM 0 HG13 VAL A 65 10.280 18.987 -1.740 1.00 73.23 H new ATOM 0 HG21 VAL A 65 13.082 19.788 -0.728 1.00 74.53 H new ATOM 0 HG22 VAL A 65 11.652 19.676 0.325 1.00 74.53 H new ATOM 0 HG23 VAL A 65 13.120 18.748 0.715 1.00 74.53 H new ATOM 996 N ASP A 66 12.739 16.733 1.754 1.00 3.35 N ATOM 997 CA ASP A 66 13.242 16.850 3.119 1.00 54.55 C ATOM 998 C ASP A 66 14.454 17.774 3.174 1.00 43.34 C ATOM 999 O ASP A 66 15.500 17.479 2.595 1.00 30.51 O ATOM 1000 CB ASP A 66 13.610 15.472 3.669 1.00 34.14 C ATOM 1001 CG ASP A 66 13.900 15.502 5.157 1.00 30.41 C ATOM 1002 OD1 ASP A 66 13.466 16.462 5.828 1.00 60.13 O ATOM 1003 OD2 ASP A 66 14.560 14.564 5.651 1.00 4.11 O ATOM 0 H ASP A 66 13.381 16.277 1.106 1.00 3.35 H new ATOM 0 HA ASP A 66 12.452 17.279 3.736 1.00 54.55 H new ATOM 0 HB2 ASP A 66 12.794 14.776 3.475 1.00 34.14 H new ATOM 0 HB3 ASP A 66 14.484 15.094 3.139 1.00 34.14 H new ATOM 1008 N VAL A 67 14.307 18.895 3.873 1.00 53.45 N ATOM 1009 CA VAL A 67 15.389 19.863 4.003 1.00 25.13 C ATOM 1010 C VAL A 67 16.391 19.426 5.067 1.00 40.44 C ATOM 1011 O VAL A 67 16.906 20.249 5.824 1.00 43.23 O ATOM 1012 CB VAL A 67 14.852 21.261 4.363 1.00 45.13 C ATOM 1013 CG1 VAL A 67 13.690 21.636 3.456 1.00 42.11 C ATOM 1014 CG2 VAL A 67 14.437 21.312 5.825 1.00 35.10 C ATOM 0 H VAL A 67 13.448 19.155 4.358 1.00 53.45 H new ATOM 0 HA VAL A 67 15.888 19.912 3.035 1.00 25.13 H new ATOM 0 HB VAL A 67 15.650 21.988 4.211 1.00 45.13 H new ATOM 0 HG11 VAL A 67 13.323 22.627 3.725 1.00 42.11 H new ATOM 0 HG12 VAL A 67 14.025 21.642 2.419 1.00 42.11 H new ATOM 0 HG13 VAL A 67 12.887 20.908 3.573 1.00 42.11 H new ATOM 0 HG21 VAL A 67 14.060 22.307 6.062 1.00 35.10 H new ATOM 0 HG22 VAL A 67 13.655 20.575 6.007 1.00 35.10 H new ATOM 0 HG23 VAL A 67 15.298 21.091 6.456 1.00 35.10 H new ATOM 1024 N ASP A 68 16.663 18.127 5.117 1.00 13.15 N ATOM 1025 CA ASP A 68 17.604 17.580 6.087 1.00 5.34 C ATOM 1026 C ASP A 68 18.643 16.700 5.399 1.00 4.24 C ATOM 1027 O ASP A 68 19.731 16.478 5.930 1.00 2.21 O ATOM 1028 CB ASP A 68 16.861 16.774 7.154 1.00 50.52 C ATOM 1029 CG ASP A 68 17.555 16.818 8.501 1.00 63.42 C ATOM 1030 OD1 ASP A 68 17.296 17.765 9.272 1.00 33.15 O ATOM 1031 OD2 ASP A 68 18.358 15.904 8.784 1.00 74.32 O ATOM 0 H ASP A 68 16.245 17.433 4.497 1.00 13.15 H new ATOM 0 HA ASP A 68 18.119 18.413 6.566 1.00 5.34 H new ATOM 0 HB2 ASP A 68 15.848 17.162 7.258 1.00 50.52 H new ATOM 0 HB3 ASP A 68 16.774 15.738 6.827 1.00 50.52 H new ATOM 1036 N GLU A 69 18.299 16.202 4.216 1.00 21.52 N ATOM 1037 CA GLU A 69 19.202 15.344 3.457 1.00 1.14 C ATOM 1038 C GLU A 69 19.609 16.008 2.145 1.00 10.53 C ATOM 1039 O GLU A 69 20.726 15.821 1.662 1.00 42.34 O ATOM 1040 CB GLU A 69 18.541 13.993 3.174 1.00 10.53 C ATOM 1041 CG GLU A 69 17.391 14.074 2.185 1.00 52.33 C ATOM 1042 CD GLU A 69 17.666 13.307 0.906 1.00 5.30 C ATOM 1043 OE1 GLU A 69 18.247 12.205 0.990 1.00 60.32 O ATOM 1044 OE2 GLU A 69 17.302 13.809 -0.178 1.00 3.22 O ATOM 0 H GLU A 69 17.402 16.377 3.762 1.00 21.52 H new ATOM 0 HA GLU A 69 20.098 15.183 4.056 1.00 1.14 H new ATOM 0 HB2 GLU A 69 19.293 13.304 2.789 1.00 10.53 H new ATOM 0 HB3 GLU A 69 18.175 13.574 4.111 1.00 10.53 H new ATOM 0 HG2 GLU A 69 16.487 13.682 2.652 1.00 52.33 H new ATOM 0 HG3 GLU A 69 17.198 15.119 1.943 1.00 52.33 H new ATOM 1051 N LEU A 70 18.695 16.785 1.574 1.00 72.42 N ATOM 1052 CA LEU A 70 18.957 17.477 0.317 1.00 52.40 C ATOM 1053 C LEU A 70 18.635 18.963 0.437 1.00 54.41 C ATOM 1054 O LEU A 70 18.421 19.646 -0.565 1.00 11.50 O ATOM 1055 CB LEU A 70 18.134 16.855 -0.812 1.00 60.14 C ATOM 1056 CG LEU A 70 16.700 17.366 -0.959 1.00 4.23 C ATOM 1057 CD1 LEU A 70 16.259 17.309 -2.413 1.00 20.21 C ATOM 1058 CD2 LEU A 70 15.755 16.560 -0.080 1.00 55.32 C ATOM 0 H LEU A 70 17.766 16.952 1.961 1.00 72.42 H new ATOM 0 HA LEU A 70 20.017 17.371 0.086 1.00 52.40 H new ATOM 0 HB2 LEU A 70 18.657 17.026 -1.753 1.00 60.14 H new ATOM 0 HB3 LEU A 70 18.100 15.776 -0.658 1.00 60.14 H new ATOM 0 HG LEU A 70 16.669 18.406 -0.633 1.00 4.23 H new ATOM 0 HD11 LEU A 70 15.236 17.676 -2.498 1.00 20.21 H new ATOM 0 HD12 LEU A 70 16.919 17.930 -3.018 1.00 20.21 H new ATOM 0 HD13 LEU A 70 16.305 16.279 -2.767 1.00 20.21 H new ATOM 0 HD21 LEU A 70 14.739 16.937 -0.197 1.00 55.32 H new ATOM 0 HD22 LEU A 70 15.789 15.511 -0.375 1.00 55.32 H new ATOM 0 HD23 LEU A 70 16.059 16.654 0.963 1.00 55.32 H new ATOM 1070 N LYS A 71 18.603 19.459 1.669 1.00 3.22 N ATOM 1071 CA LYS A 71 18.311 20.865 1.922 1.00 41.23 C ATOM 1072 C LYS A 71 18.790 21.737 0.765 1.00 71.40 C ATOM 1073 O LYS A 71 18.150 22.729 0.418 1.00 4.03 O ATOM 1074 CB LYS A 71 18.974 21.319 3.224 1.00 15.14 C ATOM 1075 CG LYS A 71 20.018 20.347 3.747 1.00 53.55 C ATOM 1076 CD LYS A 71 21.226 21.077 4.310 1.00 72.21 C ATOM 1077 CE LYS A 71 22.219 21.437 3.216 1.00 2.40 C ATOM 1078 NZ LYS A 71 23.590 20.946 3.528 1.00 70.14 N ATOM 0 H LYS A 71 18.776 18.907 2.509 1.00 3.22 H new ATOM 0 HA LYS A 71 17.230 20.975 2.014 1.00 41.23 H new ATOM 0 HB2 LYS A 71 19.442 22.290 3.064 1.00 15.14 H new ATOM 0 HB3 LYS A 71 18.205 21.457 3.984 1.00 15.14 H new ATOM 0 HG2 LYS A 71 19.577 19.720 4.522 1.00 53.55 H new ATOM 0 HG3 LYS A 71 20.335 19.684 2.942 1.00 53.55 H new ATOM 0 HD2 LYS A 71 20.900 21.984 4.819 1.00 72.21 H new ATOM 0 HD3 LYS A 71 21.716 20.451 5.056 1.00 72.21 H new ATOM 0 HE2 LYS A 71 21.887 21.010 2.269 1.00 2.40 H new ATOM 0 HE3 LYS A 71 22.241 22.519 3.087 1.00 2.40 H new ATOM 0 HZ1 LYS A 71 24.237 21.211 2.758 1.00 70.14 H new ATOM 0 HZ2 LYS A 71 23.917 21.373 4.418 1.00 70.14 H new ATOM 0 HZ3 LYS A 71 23.574 19.911 3.626 1.00 70.14 H new ATOM 1092 N GLU A 72 19.918 21.358 0.172 1.00 75.44 N ATOM 1093 CA GLU A 72 20.480 22.105 -0.947 1.00 2.44 C ATOM 1094 C GLU A 72 19.375 22.696 -1.817 1.00 51.03 C ATOM 1095 O GLU A 72 19.543 23.758 -2.418 1.00 35.34 O ATOM 1096 CB GLU A 72 21.382 21.202 -1.791 1.00 12.21 C ATOM 1097 CG GLU A 72 20.619 20.317 -2.762 1.00 32.34 C ATOM 1098 CD GLU A 72 21.509 19.296 -3.444 1.00 1.32 C ATOM 1099 OE1 GLU A 72 21.820 18.264 -2.814 1.00 5.23 O ATOM 1100 OE2 GLU A 72 21.894 19.530 -4.609 1.00 1.44 O ATOM 0 H GLU A 72 20.460 20.539 0.448 1.00 75.44 H new ATOM 0 HA GLU A 72 21.075 22.923 -0.541 1.00 2.44 H new ATOM 0 HB2 GLU A 72 22.082 21.823 -2.351 1.00 12.21 H new ATOM 0 HB3 GLU A 72 21.975 20.572 -1.127 1.00 12.21 H new ATOM 0 HG2 GLU A 72 19.823 19.800 -2.227 1.00 32.34 H new ATOM 0 HG3 GLU A 72 20.142 20.941 -3.518 1.00 32.34 H new ATOM 1107 N VAL A 73 18.244 22.000 -1.881 1.00 64.35 N ATOM 1108 CA VAL A 73 17.111 22.454 -2.678 1.00 13.23 C ATOM 1109 C VAL A 73 16.370 23.590 -1.981 1.00 31.11 C ATOM 1110 O VAL A 73 16.049 24.606 -2.597 1.00 63.32 O ATOM 1111 CB VAL A 73 16.123 21.305 -2.955 1.00 11.43 C ATOM 1112 CG1 VAL A 73 14.867 21.832 -3.632 1.00 11.53 C ATOM 1113 CG2 VAL A 73 16.783 20.228 -3.802 1.00 2.20 C ATOM 0 H VAL A 73 18.088 21.119 -1.390 1.00 64.35 H new ATOM 0 HA VAL A 73 17.513 22.813 -3.625 1.00 13.23 H new ATOM 0 HB VAL A 73 15.834 20.860 -2.003 1.00 11.43 H new ATOM 0 HG11 VAL A 73 14.181 21.006 -3.820 1.00 11.53 H new ATOM 0 HG12 VAL A 73 14.385 22.564 -2.985 1.00 11.53 H new ATOM 0 HG13 VAL A 73 15.134 22.304 -4.578 1.00 11.53 H new ATOM 0 HG21 VAL A 73 16.071 19.424 -3.988 1.00 2.20 H new ATOM 0 HG22 VAL A 73 17.102 20.657 -4.752 1.00 2.20 H new ATOM 0 HG23 VAL A 73 17.650 19.830 -3.274 1.00 2.20 H new ATOM 1123 N ALA A 74 16.101 23.411 -0.692 1.00 23.32 N ATOM 1124 CA ALA A 74 15.400 24.422 0.090 1.00 24.42 C ATOM 1125 C ALA A 74 16.225 25.700 0.200 1.00 33.20 C ATOM 1126 O ALA A 74 15.676 26.800 0.250 1.00 50.04 O ATOM 1127 CB ALA A 74 15.071 23.883 1.475 1.00 51.24 C ATOM 0 H ALA A 74 16.358 22.575 -0.167 1.00 23.32 H new ATOM 0 HA ALA A 74 14.470 24.664 -0.424 1.00 24.42 H new ATOM 0 HB1 ALA A 74 14.548 24.648 2.048 1.00 51.24 H new ATOM 0 HB2 ALA A 74 14.436 23.002 1.381 1.00 51.24 H new ATOM 0 HB3 ALA A 74 15.993 23.612 1.989 1.00 51.24 H new ATOM 1133 N GLU A 75 17.545 25.546 0.238 1.00 34.03 N ATOM 1134 CA GLU A 75 18.443 26.689 0.344 1.00 45.30 C ATOM 1135 C GLU A 75 18.351 27.571 -0.898 1.00 61.33 C ATOM 1136 O GLU A 75 18.650 28.764 -0.851 1.00 5.00 O ATOM 1137 CB GLU A 75 19.885 26.216 0.541 1.00 43.20 C ATOM 1138 CG GLU A 75 20.030 25.126 1.589 1.00 2.14 C ATOM 1139 CD GLU A 75 21.277 25.293 2.437 1.00 53.54 C ATOM 1140 OE1 GLU A 75 22.247 25.911 1.950 1.00 13.34 O ATOM 1141 OE2 GLU A 75 21.281 24.806 3.587 1.00 44.34 O ATOM 0 H GLU A 75 18.015 24.642 0.197 1.00 34.03 H new ATOM 0 HA GLU A 75 18.139 27.278 1.210 1.00 45.30 H new ATOM 0 HB2 GLU A 75 20.271 25.848 -0.410 1.00 43.20 H new ATOM 0 HB3 GLU A 75 20.502 27.068 0.827 1.00 43.20 H new ATOM 0 HG2 GLU A 75 19.152 25.130 2.236 1.00 2.14 H new ATOM 0 HG3 GLU A 75 20.058 24.154 1.096 1.00 2.14 H new ATOM 1148 N LYS A 76 17.935 26.974 -2.010 1.00 71.02 N ATOM 1149 CA LYS A 76 17.802 27.702 -3.266 1.00 54.51 C ATOM 1150 C LYS A 76 16.533 28.549 -3.272 1.00 52.11 C ATOM 1151 O LYS A 76 16.489 29.615 -3.887 1.00 2.14 O ATOM 1152 CB LYS A 76 17.782 26.727 -4.446 1.00 4.45 C ATOM 1153 CG LYS A 76 16.384 26.389 -4.932 1.00 51.13 C ATOM 1154 CD LYS A 76 16.357 25.064 -5.675 1.00 65.12 C ATOM 1155 CE LYS A 76 16.211 25.269 -7.175 1.00 71.32 C ATOM 1156 NZ LYS A 76 17.268 26.166 -7.719 1.00 22.45 N ATOM 0 H LYS A 76 17.684 25.987 -2.067 1.00 71.02 H new ATOM 0 HA LYS A 76 18.662 28.365 -3.365 1.00 54.51 H new ATOM 0 HB2 LYS A 76 18.350 27.157 -5.271 1.00 4.45 H new ATOM 0 HB3 LYS A 76 18.289 25.807 -4.155 1.00 4.45 H new ATOM 0 HG2 LYS A 76 15.703 26.344 -4.082 1.00 51.13 H new ATOM 0 HG3 LYS A 76 16.024 27.182 -5.587 1.00 51.13 H new ATOM 0 HD2 LYS A 76 17.274 24.512 -5.470 1.00 65.12 H new ATOM 0 HD3 LYS A 76 15.530 24.456 -5.308 1.00 65.12 H new ATOM 0 HE2 LYS A 76 16.259 24.304 -7.680 1.00 71.32 H new ATOM 0 HE3 LYS A 76 15.230 25.692 -7.390 1.00 71.32 H new ATOM 0 HZ1 LYS A 76 17.341 26.032 -8.748 1.00 22.45 H new ATOM 0 HZ2 LYS A 76 17.022 27.156 -7.515 1.00 22.45 H new ATOM 0 HZ3 LYS A 76 18.180 25.937 -7.274 1.00 22.45 H new ATOM 1170 N TYR A 77 15.503 28.069 -2.584 1.00 24.43 N ATOM 1171 CA TYR A 77 14.233 28.781 -2.511 1.00 4.13 C ATOM 1172 C TYR A 77 14.129 29.577 -1.213 1.00 41.14 C ATOM 1173 O TYR A 77 13.273 30.450 -1.075 1.00 31.53 O ATOM 1174 CB TYR A 77 13.066 27.798 -2.614 1.00 23.21 C ATOM 1175 CG TYR A 77 13.060 26.998 -3.897 1.00 61.10 C ATOM 1176 CD1 TYR A 77 13.523 27.550 -5.085 1.00 62.51 C ATOM 1177 CD2 TYR A 77 12.592 25.690 -3.921 1.00 32.11 C ATOM 1178 CE1 TYR A 77 13.519 26.823 -6.260 1.00 35.53 C ATOM 1179 CE2 TYR A 77 12.585 24.955 -5.091 1.00 32.14 C ATOM 1180 CZ TYR A 77 13.049 25.526 -6.257 1.00 74.24 C ATOM 1181 OH TYR A 77 13.044 24.798 -7.425 1.00 73.22 O ATOM 0 H TYR A 77 15.523 27.189 -2.069 1.00 24.43 H new ATOM 0 HA TYR A 77 14.187 29.477 -3.348 1.00 4.13 H new ATOM 0 HB2 TYR A 77 13.104 27.112 -1.768 1.00 23.21 H new ATOM 0 HB3 TYR A 77 12.129 28.350 -2.535 1.00 23.21 H new ATOM 0 HD1 TYR A 77 13.892 28.565 -5.090 1.00 62.51 H new ATOM 0 HD2 TYR A 77 12.227 25.240 -3.009 1.00 32.11 H new ATOM 0 HE1 TYR A 77 13.882 27.267 -7.175 1.00 35.53 H new ATOM 0 HE2 TYR A 77 12.218 23.939 -5.092 1.00 32.14 H new ATOM 0 HH TYR A 77 12.683 23.904 -7.251 1.00 73.22 H new ATOM 1191 N ASN A 78 15.009 29.269 -0.266 1.00 14.34 N ATOM 1192 CA ASN A 78 15.017 29.955 1.021 1.00 12.24 C ATOM 1193 C ASN A 78 13.787 29.584 1.844 1.00 74.23 C ATOM 1194 O ASN A 78 12.898 30.408 2.059 1.00 51.24 O ATOM 1195 CB ASN A 78 15.068 31.470 0.815 1.00 54.41 C ATOM 1196 CG ASN A 78 15.347 32.220 2.103 1.00 11.40 C ATOM 1197 OD1 ASN A 78 14.657 33.184 2.435 1.00 12.24 O ATOM 1198 ND2 ASN A 78 16.364 31.780 2.835 1.00 14.22 N ATOM 0 H ASN A 78 15.725 28.550 -0.365 1.00 14.34 H new ATOM 0 HA ASN A 78 15.906 29.639 1.567 1.00 12.24 H new ATOM 0 HB2 ASN A 78 15.841 31.709 0.084 1.00 54.41 H new ATOM 0 HB3 ASN A 78 14.120 31.809 0.398 1.00 54.41 H new ATOM 0 HD21 ASN A 78 16.600 32.245 3.712 1.00 14.22 H new ATOM 0 HD22 ASN A 78 16.909 30.977 2.521 1.00 14.22 H new ATOM 1205 N VAL A 79 13.742 28.337 2.302 1.00 62.31 N ATOM 1206 CA VAL A 79 12.622 27.856 3.102 1.00 24.32 C ATOM 1207 C VAL A 79 12.958 27.884 4.589 1.00 34.42 C ATOM 1208 O VAL A 79 12.075 28.047 5.431 1.00 41.31 O ATOM 1209 CB VAL A 79 12.223 26.422 2.704 1.00 12.51 C ATOM 1210 CG1 VAL A 79 12.476 26.190 1.222 1.00 34.44 C ATOM 1211 CG2 VAL A 79 12.976 25.406 3.548 1.00 23.22 C ATOM 0 H VAL A 79 14.469 27.641 2.133 1.00 62.31 H new ATOM 0 HA VAL A 79 11.784 28.525 2.909 1.00 24.32 H new ATOM 0 HB VAL A 79 11.157 26.295 2.890 1.00 12.51 H new ATOM 0 HG11 VAL A 79 12.188 25.172 0.959 1.00 34.44 H new ATOM 0 HG12 VAL A 79 11.887 26.896 0.637 1.00 34.44 H new ATOM 0 HG13 VAL A 79 13.535 26.335 1.007 1.00 34.44 H new ATOM 0 HG21 VAL A 79 12.682 24.399 3.253 1.00 23.22 H new ATOM 0 HG22 VAL A 79 14.048 25.530 3.396 1.00 23.22 H new ATOM 0 HG23 VAL A 79 12.739 25.560 4.601 1.00 23.22 H new ATOM 1221 N GLU A 80 14.239 27.723 4.905 1.00 40.14 N ATOM 1222 CA GLU A 80 14.690 27.730 6.291 1.00 24.21 C ATOM 1223 C GLU A 80 14.708 26.316 6.864 1.00 23.42 C ATOM 1224 O GLU A 80 15.772 25.734 7.077 1.00 51.21 O ATOM 1225 CB GLU A 80 13.786 28.625 7.141 1.00 71.21 C ATOM 1226 CG GLU A 80 13.408 29.929 6.460 1.00 14.42 C ATOM 1227 CD GLU A 80 13.960 31.144 7.180 1.00 41.52 C ATOM 1228 OE1 GLU A 80 15.197 31.242 7.317 1.00 23.55 O ATOM 1229 OE2 GLU A 80 13.154 31.999 7.605 1.00 62.30 O ATOM 0 H GLU A 80 14.982 27.586 4.220 1.00 40.14 H new ATOM 0 HA GLU A 80 15.705 28.126 6.314 1.00 24.21 H new ATOM 0 HB2 GLU A 80 12.877 28.078 7.389 1.00 71.21 H new ATOM 0 HB3 GLU A 80 14.290 28.849 8.081 1.00 71.21 H new ATOM 0 HG2 GLU A 80 13.778 29.920 5.435 1.00 14.42 H new ATOM 0 HG3 GLU A 80 12.322 30.005 6.406 1.00 14.42 H new ATOM 1236 N ALA A 81 13.523 25.769 7.112 1.00 33.13 N ATOM 1237 CA ALA A 81 13.401 24.423 7.659 1.00 3.32 C ATOM 1238 C ALA A 81 11.980 24.153 8.142 1.00 4.24 C ATOM 1239 O ALA A 81 11.761 23.849 9.314 1.00 31.05 O ATOM 1240 CB ALA A 81 14.394 24.224 8.795 1.00 60.52 C ATOM 0 H ALA A 81 12.633 26.237 6.943 1.00 33.13 H new ATOM 0 HA ALA A 81 13.627 23.712 6.864 1.00 3.32 H new ATOM 0 HB1 ALA A 81 14.292 23.215 9.195 1.00 60.52 H new ATOM 0 HB2 ALA A 81 15.408 24.366 8.421 1.00 60.52 H new ATOM 0 HB3 ALA A 81 14.194 24.949 9.584 1.00 60.52 H new ATOM 1246 N MET A 82 11.019 24.267 7.232 1.00 50.20 N ATOM 1247 CA MET A 82 9.619 24.034 7.567 1.00 52.54 C ATOM 1248 C MET A 82 8.888 23.362 6.409 1.00 53.12 C ATOM 1249 O MET A 82 9.417 23.222 5.306 1.00 4.03 O ATOM 1250 CB MET A 82 8.931 25.354 7.922 1.00 40.12 C ATOM 1251 CG MET A 82 9.891 26.526 8.046 1.00 64.30 C ATOM 1252 SD MET A 82 9.754 27.685 6.672 1.00 13.31 S ATOM 1253 CE MET A 82 10.016 26.592 5.278 1.00 25.43 C ATOM 0 H MET A 82 11.184 24.519 6.257 1.00 50.20 H new ATOM 0 HA MET A 82 9.583 23.370 8.431 1.00 52.54 H new ATOM 0 HB2 MET A 82 8.187 25.583 7.159 1.00 40.12 H new ATOM 0 HB3 MET A 82 8.395 25.233 8.863 1.00 40.12 H new ATOM 0 HG2 MET A 82 9.697 27.052 8.981 1.00 64.30 H new ATOM 0 HG3 MET A 82 10.913 26.150 8.098 1.00 64.30 H new ATOM 0 HE1 MET A 82 10.049 27.177 4.359 1.00 25.43 H new ATOM 0 HE2 MET A 82 10.959 26.061 5.405 1.00 25.43 H new ATOM 0 HE3 MET A 82 9.199 25.873 5.221 1.00 25.43 H new ATOM 1263 N PRO A 83 7.642 22.935 6.663 1.00 53.34 N ATOM 1264 CA PRO A 83 6.812 22.271 5.653 1.00 34.24 C ATOM 1265 C PRO A 83 6.365 23.224 4.550 1.00 5.54 C ATOM 1266 O PRO A 83 5.367 22.982 3.871 1.00 21.02 O ATOM 1267 CB PRO A 83 5.604 21.778 6.455 1.00 3.53 C ATOM 1268 CG PRO A 83 5.527 22.696 7.626 1.00 5.32 C ATOM 1269 CD PRO A 83 6.947 23.069 7.954 1.00 11.10 C ATOM 0 HA PRO A 83 7.354 21.477 5.139 1.00 34.24 H new ATOM 0 HB2 PRO A 83 4.691 21.817 5.860 1.00 3.53 H new ATOM 0 HB3 PRO A 83 5.734 20.743 6.771 1.00 3.53 H new ATOM 0 HG2 PRO A 83 4.936 23.581 7.390 1.00 5.32 H new ATOM 0 HG3 PRO A 83 5.046 22.208 8.474 1.00 5.32 H new ATOM 0 HD2 PRO A 83 7.016 24.085 8.344 1.00 11.10 H new ATOM 0 HD3 PRO A 83 7.372 22.408 8.710 1.00 11.10 H new ATOM 1277 N THR A 84 7.112 24.311 4.376 1.00 73.12 N ATOM 1278 CA THR A 84 6.793 25.301 3.356 1.00 55.54 C ATOM 1279 C THR A 84 6.423 24.633 2.036 1.00 20.25 C ATOM 1280 O THR A 84 7.160 23.786 1.531 1.00 75.34 O ATOM 1281 CB THR A 84 7.972 26.263 3.118 1.00 41.12 C ATOM 1282 OG1 THR A 84 7.827 27.429 3.937 1.00 73.40 O ATOM 1283 CG2 THR A 84 8.051 26.672 1.655 1.00 75.03 C ATOM 0 H THR A 84 7.942 24.527 4.929 1.00 73.12 H new ATOM 0 HA THR A 84 5.939 25.869 3.724 1.00 55.54 H new ATOM 0 HB THR A 84 8.893 25.745 3.384 1.00 41.12 H new ATOM 0 HG1 THR A 84 7.480 27.170 4.816 1.00 73.40 H new ATOM 0 HG21 THR A 84 8.891 27.351 1.512 1.00 75.03 H new ATOM 0 HG22 THR A 84 8.192 25.786 1.036 1.00 75.03 H new ATOM 0 HG23 THR A 84 7.127 27.173 1.367 1.00 75.03 H new ATOM 1291 N PHE A 85 5.278 25.019 1.483 1.00 22.10 N ATOM 1292 CA PHE A 85 4.811 24.456 0.222 1.00 73.14 C ATOM 1293 C PHE A 85 5.352 25.251 -0.963 1.00 4.13 C ATOM 1294 O PHE A 85 4.638 25.504 -1.934 1.00 3.41 O ATOM 1295 CB PHE A 85 3.281 24.439 0.182 1.00 23.31 C ATOM 1296 CG PHE A 85 2.694 23.062 0.303 1.00 30.43 C ATOM 1297 CD1 PHE A 85 2.870 22.128 -0.705 1.00 62.21 C ATOM 1298 CD2 PHE A 85 1.966 22.701 1.426 1.00 63.32 C ATOM 1299 CE1 PHE A 85 2.330 20.860 -0.596 1.00 41.33 C ATOM 1300 CE2 PHE A 85 1.424 21.434 1.540 1.00 1.44 C ATOM 1301 CZ PHE A 85 1.607 20.513 0.528 1.00 23.33 C ATOM 0 H PHE A 85 4.657 25.719 1.888 1.00 22.10 H new ATOM 0 HA PHE A 85 5.182 23.433 0.151 1.00 73.14 H new ATOM 0 HB2 PHE A 85 2.897 25.061 0.991 1.00 23.31 H new ATOM 0 HB3 PHE A 85 2.945 24.888 -0.753 1.00 23.31 H new ATOM 0 HD1 PHE A 85 3.435 22.393 -1.586 1.00 62.21 H new ATOM 0 HD2 PHE A 85 1.820 23.417 2.221 1.00 63.32 H new ATOM 0 HE1 PHE A 85 2.474 20.141 -1.389 1.00 41.33 H new ATOM 0 HE2 PHE A 85 0.858 21.165 2.420 1.00 1.44 H new ATOM 0 HZ PHE A 85 1.185 19.523 0.615 1.00 23.33 H new ATOM 1311 N LEU A 86 6.619 25.643 -0.875 1.00 33.30 N ATOM 1312 CA LEU A 86 7.258 26.410 -1.938 1.00 72.05 C ATOM 1313 C LEU A 86 6.700 26.018 -3.303 1.00 51.51 C ATOM 1314 O LEU A 86 6.417 24.847 -3.557 1.00 42.41 O ATOM 1315 CB LEU A 86 8.772 26.193 -1.912 1.00 73.52 C ATOM 1316 CG LEU A 86 9.631 27.416 -2.231 1.00 2.44 C ATOM 1317 CD1 LEU A 86 8.961 28.278 -3.289 1.00 43.34 C ATOM 1318 CD2 LEU A 86 9.894 28.226 -0.969 1.00 43.12 C ATOM 0 H LEU A 86 7.223 25.442 -0.078 1.00 33.30 H new ATOM 0 HA LEU A 86 7.046 27.466 -1.768 1.00 72.05 H new ATOM 0 HB2 LEU A 86 9.049 25.827 -0.923 1.00 73.52 H new ATOM 0 HB3 LEU A 86 9.018 25.405 -2.624 1.00 73.52 H new ATOM 0 HG LEU A 86 10.587 27.072 -2.625 1.00 2.44 H new ATOM 0 HD11 LEU A 86 9.587 29.144 -3.503 1.00 43.34 H new ATOM 0 HD12 LEU A 86 8.824 27.695 -4.200 1.00 43.34 H new ATOM 0 HD13 LEU A 86 7.990 28.614 -2.924 1.00 43.34 H new ATOM 0 HD21 LEU A 86 10.507 29.093 -1.214 1.00 43.12 H new ATOM 0 HD22 LEU A 86 8.946 28.560 -0.547 1.00 43.12 H new ATOM 0 HD23 LEU A 86 10.417 27.606 -0.241 1.00 43.12 H new ATOM 1330 N PHE A 87 6.546 27.006 -4.179 1.00 71.10 N ATOM 1331 CA PHE A 87 6.023 26.765 -5.519 1.00 22.32 C ATOM 1332 C PHE A 87 7.036 27.182 -6.581 1.00 50.01 C ATOM 1333 O PHE A 87 7.864 28.064 -6.351 1.00 65.44 O ATOM 1334 CB PHE A 87 4.711 27.525 -5.722 1.00 43.40 C ATOM 1335 CG PHE A 87 3.571 26.982 -4.909 1.00 41.01 C ATOM 1336 CD1 PHE A 87 3.570 27.099 -3.529 1.00 14.24 C ATOM 1337 CD2 PHE A 87 2.501 26.354 -5.526 1.00 21.44 C ATOM 1338 CE1 PHE A 87 2.522 26.601 -2.778 1.00 32.45 C ATOM 1339 CE2 PHE A 87 1.450 25.853 -4.780 1.00 5.51 C ATOM 1340 CZ PHE A 87 1.461 25.976 -3.404 1.00 63.02 C ATOM 0 H PHE A 87 6.776 27.981 -3.985 1.00 71.10 H new ATOM 0 HA PHE A 87 5.835 25.696 -5.622 1.00 22.32 H new ATOM 0 HB2 PHE A 87 4.864 28.573 -5.464 1.00 43.40 H new ATOM 0 HB3 PHE A 87 4.441 27.493 -6.778 1.00 43.40 H new ATOM 0 HD1 PHE A 87 4.398 27.585 -3.034 1.00 14.24 H new ATOM 0 HD2 PHE A 87 2.488 26.255 -6.601 1.00 21.44 H new ATOM 0 HE1 PHE A 87 2.533 26.700 -1.703 1.00 32.45 H new ATOM 0 HE2 PHE A 87 0.621 25.366 -5.273 1.00 5.51 H new ATOM 0 HZ PHE A 87 0.642 25.584 -2.819 1.00 63.02 H new ATOM 1350 N ILE A 88 6.963 26.542 -7.743 1.00 41.12 N ATOM 1351 CA ILE A 88 7.872 26.847 -8.841 1.00 24.31 C ATOM 1352 C ILE A 88 7.131 26.891 -10.173 1.00 22.13 C ATOM 1353 O ILE A 88 7.202 25.953 -10.967 1.00 32.20 O ATOM 1354 CB ILE A 88 9.010 25.812 -8.933 1.00 52.43 C ATOM 1355 CG1 ILE A 88 9.585 25.529 -7.544 1.00 42.31 C ATOM 1356 CG2 ILE A 88 10.099 26.306 -9.873 1.00 64.14 C ATOM 1357 CD1 ILE A 88 10.542 26.595 -7.058 1.00 2.12 C ATOM 0 H ILE A 88 6.284 25.809 -7.949 1.00 41.12 H new ATOM 0 HA ILE A 88 8.299 27.828 -8.634 1.00 24.31 H new ATOM 0 HB ILE A 88 8.605 24.883 -9.334 1.00 52.43 H new ATOM 0 HG12 ILE A 88 8.765 25.436 -6.832 1.00 42.31 H new ATOM 0 HG13 ILE A 88 10.101 24.569 -7.562 1.00 42.31 H new ATOM 0 HG21 ILE A 88 10.896 25.565 -9.928 1.00 64.14 H new ATOM 0 HG22 ILE A 88 9.679 26.461 -10.867 1.00 64.14 H new ATOM 0 HG23 ILE A 88 10.503 27.246 -9.499 1.00 64.14 H new ATOM 0 HD11 ILE A 88 10.910 26.329 -6.067 1.00 2.12 H new ATOM 0 HD12 ILE A 88 11.382 26.672 -7.749 1.00 2.12 H new ATOM 0 HD13 ILE A 88 10.024 27.553 -7.007 1.00 2.12 H new ATOM 1369 N LYS A 89 6.421 27.988 -10.412 1.00 41.22 N ATOM 1370 CA LYS A 89 5.668 28.158 -11.649 1.00 43.23 C ATOM 1371 C LYS A 89 6.590 28.559 -12.796 1.00 63.15 C ATOM 1372 O LYS A 89 7.303 29.559 -12.712 1.00 50.21 O ATOM 1373 CB LYS A 89 4.577 29.215 -11.465 1.00 72.12 C ATOM 1374 CG LYS A 89 4.054 29.783 -12.773 1.00 11.51 C ATOM 1375 CD LYS A 89 2.552 30.007 -12.723 1.00 12.13 C ATOM 1376 CE LYS A 89 2.129 30.665 -11.418 1.00 24.52 C ATOM 1377 NZ LYS A 89 0.796 31.317 -11.532 1.00 13.12 N ATOM 0 H LYS A 89 6.351 28.773 -9.765 1.00 41.22 H new ATOM 0 HA LYS A 89 5.203 27.204 -11.896 1.00 43.23 H new ATOM 0 HB2 LYS A 89 3.747 28.776 -10.912 1.00 72.12 H new ATOM 0 HB3 LYS A 89 4.971 30.029 -10.857 1.00 72.12 H new ATOM 0 HG2 LYS A 89 4.556 30.726 -12.988 1.00 11.51 H new ATOM 0 HG3 LYS A 89 4.294 29.101 -13.589 1.00 11.51 H new ATOM 0 HD2 LYS A 89 2.248 30.633 -13.562 1.00 12.13 H new ATOM 0 HD3 LYS A 89 2.037 29.053 -12.834 1.00 12.13 H new ATOM 0 HE2 LYS A 89 2.100 29.916 -10.626 1.00 24.52 H new ATOM 0 HE3 LYS A 89 2.873 31.407 -11.128 1.00 24.52 H new ATOM 0 HZ1 LYS A 89 0.529 31.724 -10.613 1.00 13.12 H new ATOM 0 HZ2 LYS A 89 0.839 32.072 -12.246 1.00 13.12 H new ATOM 0 HZ3 LYS A 89 0.087 30.611 -11.817 1.00 13.12 H new ATOM 1391 N ASP A 90 6.570 27.773 -13.868 1.00 1.44 N ATOM 1392 CA ASP A 90 7.402 28.048 -15.033 1.00 45.10 C ATOM 1393 C ASP A 90 8.824 27.537 -14.819 1.00 34.44 C ATOM 1394 O ASP A 90 9.615 27.462 -15.757 1.00 65.31 O ATOM 1395 CB ASP A 90 7.426 29.549 -15.327 1.00 23.10 C ATOM 1396 CG ASP A 90 7.661 29.848 -16.795 1.00 32.33 C ATOM 1397 OD1 ASP A 90 8.650 29.330 -17.355 1.00 52.33 O ATOM 1398 OD2 ASP A 90 6.855 30.598 -17.383 1.00 52.20 O ATOM 0 H ASP A 90 5.987 26.941 -13.953 1.00 1.44 H new ATOM 0 HA ASP A 90 6.971 27.525 -15.887 1.00 45.10 H new ATOM 0 HB2 ASP A 90 6.480 29.992 -15.016 1.00 23.10 H new ATOM 0 HB3 ASP A 90 8.209 30.020 -14.733 1.00 23.10 H new ATOM 1403 N GLY A 91 9.140 27.186 -13.575 1.00 50.45 N ATOM 1404 CA GLY A 91 10.466 26.688 -13.260 1.00 32.30 C ATOM 1405 C GLY A 91 11.331 27.730 -12.579 1.00 54.25 C ATOM 1406 O GLY A 91 12.500 27.898 -12.925 1.00 31.44 O ATOM 0 H GLY A 91 8.502 27.238 -12.781 1.00 50.45 H new ATOM 0 HA2 GLY A 91 10.378 25.815 -12.614 1.00 32.30 H new ATOM 0 HA3 GLY A 91 10.954 26.358 -14.177 1.00 32.30 H new ATOM 1410 N ALA A 92 10.754 28.434 -11.611 1.00 2.13 N ATOM 1411 CA ALA A 92 11.480 29.465 -10.880 1.00 43.52 C ATOM 1412 C ALA A 92 10.995 29.561 -9.438 1.00 23.04 C ATOM 1413 O ALA A 92 11.543 28.914 -8.546 1.00 1.45 O ATOM 1414 CB ALA A 92 11.333 30.809 -11.578 1.00 45.34 C ATOM 0 H ALA A 92 9.786 28.309 -11.315 1.00 2.13 H new ATOM 0 HA ALA A 92 12.534 29.189 -10.863 1.00 43.52 H new ATOM 0 HB1 ALA A 92 11.880 31.570 -11.021 1.00 45.34 H new ATOM 0 HB2 ALA A 92 11.735 30.740 -12.589 1.00 45.34 H new ATOM 0 HB3 ALA A 92 10.279 31.081 -11.624 1.00 45.34 H new ATOM 1420 N GLU A 93 9.965 30.372 -9.217 1.00 23.02 N ATOM 1421 CA GLU A 93 9.409 30.552 -7.881 1.00 54.32 C ATOM 1422 C GLU A 93 8.174 31.449 -7.923 1.00 22.43 C ATOM 1423 O GLU A 93 8.280 32.659 -8.116 1.00 14.42 O ATOM 1424 CB GLU A 93 10.458 31.154 -6.944 1.00 31.20 C ATOM 1425 CG GLU A 93 10.180 30.895 -5.473 1.00 13.12 C ATOM 1426 CD GLU A 93 11.443 30.876 -4.635 1.00 24.32 C ATOM 1427 OE1 GLU A 93 12.486 30.415 -5.145 1.00 40.13 O ATOM 1428 OE2 GLU A 93 11.390 31.320 -3.469 1.00 51.43 O ATOM 0 H GLU A 93 9.499 30.914 -9.945 1.00 23.02 H new ATOM 0 HA GLU A 93 9.114 29.573 -7.503 1.00 54.32 H new ATOM 0 HB2 GLU A 93 11.436 30.746 -7.198 1.00 31.20 H new ATOM 0 HB3 GLU A 93 10.508 32.230 -7.112 1.00 31.20 H new ATOM 0 HG2 GLU A 93 9.508 31.665 -5.093 1.00 13.12 H new ATOM 0 HG3 GLU A 93 9.664 29.941 -5.367 1.00 13.12 H new ATOM 1435 N ALA A 94 7.005 30.844 -7.741 1.00 32.03 N ATOM 1436 CA ALA A 94 5.751 31.586 -7.756 1.00 15.43 C ATOM 1437 C ALA A 94 5.376 32.060 -6.356 1.00 3.45 C ATOM 1438 O ALA A 94 4.770 33.119 -6.190 1.00 4.25 O ATOM 1439 CB ALA A 94 4.637 30.730 -8.340 1.00 62.32 C ATOM 0 H ALA A 94 6.900 29.842 -7.581 1.00 32.03 H new ATOM 0 HA ALA A 94 5.887 32.466 -8.385 1.00 15.43 H new ATOM 0 HB1 ALA A 94 3.706 31.298 -8.345 1.00 62.32 H new ATOM 0 HB2 ALA A 94 4.894 30.445 -9.360 1.00 62.32 H new ATOM 0 HB3 ALA A 94 4.512 29.833 -7.734 1.00 62.32 H new ATOM 1445 N ASP A 95 5.740 31.270 -5.352 1.00 2.14 N ATOM 1446 CA ASP A 95 5.443 31.610 -3.965 1.00 33.51 C ATOM 1447 C ASP A 95 5.475 30.366 -3.082 1.00 74.32 C ATOM 1448 O ASP A 95 5.706 29.256 -3.562 1.00 61.15 O ATOM 1449 CB ASP A 95 4.075 32.286 -3.865 1.00 74.12 C ATOM 1450 CG ASP A 95 4.180 33.796 -3.783 1.00 51.03 C ATOM 1451 OD1 ASP A 95 4.988 34.292 -2.970 1.00 33.44 O ATOM 1452 OD2 ASP A 95 3.455 34.482 -4.533 1.00 42.44 O ATOM 0 H ASP A 95 6.241 30.390 -5.472 1.00 2.14 H new ATOM 0 HA ASP A 95 6.208 32.303 -3.615 1.00 33.51 H new ATOM 0 HB2 ASP A 95 3.474 32.013 -4.732 1.00 74.12 H new ATOM 0 HB3 ASP A 95 3.552 31.913 -2.985 1.00 74.12 H new ATOM 1457 N LYS A 96 5.242 30.559 -1.788 1.00 74.44 N ATOM 1458 CA LYS A 96 5.243 29.453 -0.837 1.00 41.52 C ATOM 1459 C LYS A 96 4.026 29.523 0.079 1.00 31.14 C ATOM 1460 O LYS A 96 3.255 30.482 0.033 1.00 71.54 O ATOM 1461 CB LYS A 96 6.525 29.474 -0.002 1.00 44.11 C ATOM 1462 CG LYS A 96 6.667 30.713 0.865 1.00 13.10 C ATOM 1463 CD LYS A 96 7.741 31.646 0.333 1.00 3.51 C ATOM 1464 CE LYS A 96 9.131 31.191 0.750 1.00 3.44 C ATOM 1465 NZ LYS A 96 9.393 31.458 2.192 1.00 34.21 N ATOM 0 H LYS A 96 5.050 31.471 -1.374 1.00 74.44 H new ATOM 0 HA LYS A 96 5.199 28.521 -1.400 1.00 41.52 H new ATOM 0 HB2 LYS A 96 6.548 28.590 0.636 1.00 44.11 H new ATOM 0 HB3 LYS A 96 7.384 29.408 -0.669 1.00 44.11 H new ATOM 0 HG2 LYS A 96 5.714 31.240 0.907 1.00 13.10 H new ATOM 0 HG3 LYS A 96 6.913 30.418 1.885 1.00 13.10 H new ATOM 0 HD2 LYS A 96 7.682 31.688 -0.755 1.00 3.51 H new ATOM 0 HD3 LYS A 96 7.562 32.656 0.701 1.00 3.51 H new ATOM 0 HE2 LYS A 96 9.238 30.124 0.553 1.00 3.44 H new ATOM 0 HE3 LYS A 96 9.878 31.704 0.144 1.00 3.44 H new ATOM 0 HZ1 LYS A 96 10.408 31.342 2.388 1.00 34.21 H new ATOM 0 HZ2 LYS A 96 9.104 32.430 2.423 1.00 34.21 H new ATOM 0 HZ3 LYS A 96 8.850 30.788 2.773 1.00 34.21 H new ATOM 1479 N VAL A 97 3.860 28.501 0.914 1.00 52.43 N ATOM 1480 CA VAL A 97 2.738 28.448 1.843 1.00 12.12 C ATOM 1481 C VAL A 97 3.133 27.756 3.143 1.00 61.24 C ATOM 1482 O VAL A 97 3.738 28.366 4.025 1.00 75.32 O ATOM 1483 CB VAL A 97 1.533 27.711 1.227 1.00 5.25 C ATOM 1484 CG1 VAL A 97 0.485 27.419 2.291 1.00 44.35 C ATOM 1485 CG2 VAL A 97 0.937 28.524 0.088 1.00 3.55 C ATOM 0 H VAL A 97 4.488 27.699 0.965 1.00 52.43 H new ATOM 0 HA VAL A 97 2.454 29.479 2.055 1.00 12.12 H new ATOM 0 HB VAL A 97 1.879 26.760 0.821 1.00 5.25 H new ATOM 0 HG11 VAL A 97 -0.358 26.898 1.838 1.00 44.35 H new ATOM 0 HG12 VAL A 97 0.922 26.794 3.070 1.00 44.35 H new ATOM 0 HG13 VAL A 97 0.140 28.356 2.729 1.00 44.35 H new ATOM 0 HG21 VAL A 97 0.087 27.989 -0.335 1.00 3.55 H new ATOM 0 HG22 VAL A 97 0.605 29.491 0.466 1.00 3.55 H new ATOM 0 HG23 VAL A 97 1.691 28.676 -0.684 1.00 3.55 H new ATOM 1495 N VAL A 98 2.788 26.477 3.254 1.00 30.12 N ATOM 1496 CA VAL A 98 3.108 25.700 4.446 1.00 61.24 C ATOM 1497 C VAL A 98 2.339 24.384 4.466 1.00 21.42 C ATOM 1498 O VAL A 98 1.145 24.346 4.174 1.00 35.24 O ATOM 1499 CB VAL A 98 2.791 26.487 5.731 1.00 63.00 C ATOM 1500 CG1 VAL A 98 2.181 25.571 6.781 1.00 11.52 C ATOM 1501 CG2 VAL A 98 4.046 27.162 6.265 1.00 53.14 C ATOM 0 H VAL A 98 2.287 25.957 2.533 1.00 30.12 H new ATOM 0 HA VAL A 98 4.177 25.492 4.411 1.00 61.24 H new ATOM 0 HB VAL A 98 2.063 27.262 5.492 1.00 63.00 H new ATOM 0 HG11 VAL A 98 1.964 26.144 7.682 1.00 11.52 H new ATOM 0 HG12 VAL A 98 1.258 25.139 6.395 1.00 11.52 H new ATOM 0 HG13 VAL A 98 2.884 24.773 7.020 1.00 11.52 H new ATOM 0 HG21 VAL A 98 3.804 27.714 7.173 1.00 53.14 H new ATOM 0 HG22 VAL A 98 4.798 26.406 6.489 1.00 53.14 H new ATOM 0 HG23 VAL A 98 4.436 27.850 5.515 1.00 53.14 H new ATOM 1511 N GLY A 99 3.033 23.304 4.814 1.00 42.10 N ATOM 1512 CA GLY A 99 2.399 22.000 4.867 1.00 63.31 C ATOM 1513 C GLY A 99 1.670 21.762 6.174 1.00 15.31 C ATOM 1514 O GLY A 99 1.764 20.683 6.758 1.00 13.21 O ATOM 0 H GLY A 99 4.023 23.309 5.060 1.00 42.10 H new ATOM 0 HA2 GLY A 99 1.695 21.908 4.040 1.00 63.31 H new ATOM 0 HA3 GLY A 99 3.155 21.226 4.730 1.00 63.31 H new ATOM 1518 N ALA A 100 0.941 22.774 6.635 1.00 22.35 N ATOM 1519 CA ALA A 100 0.192 22.670 7.882 1.00 64.42 C ATOM 1520 C ALA A 100 -1.026 23.586 7.868 1.00 11.43 C ATOM 1521 O ALA A 100 -1.630 23.847 8.909 1.00 42.40 O ATOM 1522 CB ALA A 100 1.090 22.999 9.066 1.00 72.34 C ATOM 0 H ALA A 100 0.853 23.674 6.164 1.00 22.35 H new ATOM 0 HA ALA A 100 -0.160 21.643 7.982 1.00 64.42 H new ATOM 0 HB1 ALA A 100 0.518 22.917 9.990 1.00 72.34 H new ATOM 0 HB2 ALA A 100 1.926 22.300 9.094 1.00 72.34 H new ATOM 0 HB3 ALA A 100 1.470 24.015 8.963 1.00 72.34 H new ATOM 1528 N ARG A 101 -1.382 24.073 6.684 1.00 61.43 N ATOM 1529 CA ARG A 101 -2.528 24.962 6.536 1.00 45.12 C ATOM 1530 C ARG A 101 -3.529 24.396 5.533 1.00 12.34 C ATOM 1531 O ARG A 101 -3.244 24.302 4.339 1.00 1.34 O ATOM 1532 CB ARG A 101 -2.068 26.350 6.086 1.00 61.04 C ATOM 1533 CG ARG A 101 -2.122 27.397 7.186 1.00 34.55 C ATOM 1534 CD ARG A 101 -1.354 26.948 8.420 1.00 41.32 C ATOM 1535 NE ARG A 101 -1.363 27.964 9.469 1.00 23.23 N ATOM 1536 CZ ARG A 101 -0.852 27.773 10.681 1.00 54.02 C ATOM 1537 NH1 ARG A 101 -0.295 26.611 10.994 1.00 54.33 N ATOM 1538 NH2 ARG A 101 -0.898 28.746 11.582 1.00 33.21 N ATOM 0 H ARG A 101 -0.893 23.867 5.813 1.00 61.43 H new ATOM 0 HA ARG A 101 -3.019 25.046 7.505 1.00 45.12 H new ATOM 0 HB2 ARG A 101 -1.047 26.281 5.712 1.00 61.04 H new ATOM 0 HB3 ARG A 101 -2.691 26.678 5.254 1.00 61.04 H new ATOM 0 HG2 ARG A 101 -1.706 28.335 6.818 1.00 34.55 H new ATOM 0 HG3 ARG A 101 -3.160 27.592 7.453 1.00 34.55 H new ATOM 0 HD2 ARG A 101 -1.791 26.026 8.804 1.00 41.32 H new ATOM 0 HD3 ARG A 101 -0.324 26.721 8.144 1.00 41.32 H new ATOM 0 HE ARG A 101 -1.784 28.869 9.260 1.00 23.23 H new ATOM 0 HH11 ARG A 101 -0.258 25.861 10.304 1.00 54.33 H new ATOM 0 HH12 ARG A 101 0.096 26.467 11.925 1.00 54.33 H new ATOM 0 HH21 ARG A 101 -1.326 29.641 11.345 1.00 33.21 H new ATOM 0 HH22 ARG A 101 -0.506 28.599 12.512 1.00 33.21 H new ATOM 1552 N LYS A 102 -4.704 24.020 6.027 1.00 20.11 N ATOM 1553 CA LYS A 102 -5.749 23.464 5.176 1.00 33.22 C ATOM 1554 C LYS A 102 -6.583 24.573 4.543 1.00 43.24 C ATOM 1555 O LYS A 102 -7.568 24.306 3.855 1.00 52.42 O ATOM 1556 CB LYS A 102 -6.653 22.532 5.987 1.00 52.04 C ATOM 1557 CG LYS A 102 -7.106 21.303 5.217 1.00 13.31 C ATOM 1558 CD LYS A 102 -8.456 21.526 4.555 1.00 44.31 C ATOM 1559 CE LYS A 102 -9.236 20.227 4.430 1.00 55.12 C ATOM 1560 NZ LYS A 102 -10.698 20.438 4.622 1.00 71.25 N ATOM 0 H LYS A 102 -4.956 24.090 7.013 1.00 20.11 H new ATOM 0 HA LYS A 102 -5.270 22.894 4.380 1.00 33.22 H new ATOM 0 HB2 LYS A 102 -6.121 22.213 6.884 1.00 52.04 H new ATOM 0 HB3 LYS A 102 -7.531 23.088 6.317 1.00 52.04 H new ATOM 0 HG2 LYS A 102 -6.364 21.054 4.458 1.00 13.31 H new ATOM 0 HG3 LYS A 102 -7.168 20.451 5.894 1.00 13.31 H new ATOM 0 HD2 LYS A 102 -9.034 22.244 5.137 1.00 44.31 H new ATOM 0 HD3 LYS A 102 -8.310 21.961 3.566 1.00 44.31 H new ATOM 0 HE2 LYS A 102 -9.058 19.789 3.448 1.00 55.12 H new ATOM 0 HE3 LYS A 102 -8.872 19.512 5.168 1.00 55.12 H new ATOM 0 HZ1 LYS A 102 -11.195 19.529 4.529 1.00 71.25 H new ATOM 0 HZ2 LYS A 102 -10.870 20.832 5.569 1.00 71.25 H new ATOM 0 HZ3 LYS A 102 -11.051 21.100 3.902 1.00 71.25 H new ATOM 1574 N ASP A 103 -6.180 25.817 4.778 1.00 41.12 N ATOM 1575 CA ASP A 103 -6.888 26.967 4.228 1.00 52.03 C ATOM 1576 C ASP A 103 -5.936 27.871 3.450 1.00 32.34 C ATOM 1577 O ASP A 103 -6.364 28.817 2.790 1.00 42.35 O ATOM 1578 CB ASP A 103 -7.564 27.760 5.347 1.00 0.13 C ATOM 1579 CG ASP A 103 -8.117 29.087 4.865 1.00 61.32 C ATOM 1580 OD1 ASP A 103 -8.969 29.077 3.952 1.00 44.11 O ATOM 1581 OD2 ASP A 103 -7.697 30.135 5.400 1.00 73.44 O ATOM 0 H ASP A 103 -5.367 26.055 5.346 1.00 41.12 H new ATOM 0 HA ASP A 103 -7.651 26.598 3.543 1.00 52.03 H new ATOM 0 HB2 ASP A 103 -8.373 27.166 5.772 1.00 0.13 H new ATOM 0 HB3 ASP A 103 -6.845 27.938 6.147 1.00 0.13 H new ATOM 1586 N ASP A 104 -4.644 27.573 3.535 1.00 34.23 N ATOM 1587 CA ASP A 104 -3.631 28.358 2.840 1.00 13.20 C ATOM 1588 C ASP A 104 -3.040 27.572 1.674 1.00 40.10 C ATOM 1589 O ASP A 104 -2.432 28.146 0.769 1.00 31.12 O ATOM 1590 CB ASP A 104 -2.521 28.770 3.808 1.00 15.34 C ATOM 1591 CG ASP A 104 -2.020 30.178 3.550 1.00 74.44 C ATOM 1592 OD1 ASP A 104 -2.100 30.631 2.389 1.00 14.32 O ATOM 1593 OD2 ASP A 104 -1.547 30.825 4.507 1.00 35.15 O ATOM 0 H ASP A 104 -4.274 26.793 4.078 1.00 34.23 H new ATOM 0 HA ASP A 104 -4.109 29.254 2.445 1.00 13.20 H new ATOM 0 HB2 ASP A 104 -2.891 28.701 4.831 1.00 15.34 H new ATOM 0 HB3 ASP A 104 -1.690 28.070 3.722 1.00 15.34 H new ATOM 1598 N LEU A 105 -3.221 26.256 1.702 1.00 0.40 N ATOM 1599 CA LEU A 105 -2.705 25.390 0.648 1.00 45.43 C ATOM 1600 C LEU A 105 -3.623 25.407 -0.570 1.00 13.43 C ATOM 1601 O LEU A 105 -3.313 26.031 -1.584 1.00 41.40 O ATOM 1602 CB LEU A 105 -2.551 23.959 1.165 1.00 15.24 C ATOM 1603 CG LEU A 105 -2.247 22.893 0.112 1.00 11.41 C ATOM 1604 CD1 LEU A 105 -0.852 23.091 -0.460 1.00 2.23 C ATOM 1605 CD2 LEU A 105 -2.389 21.500 0.707 1.00 71.11 C ATOM 0 H LEU A 105 -3.721 25.766 2.443 1.00 0.40 H new ATOM 0 HA LEU A 105 -1.728 25.768 0.348 1.00 45.43 H new ATOM 0 HB2 LEU A 105 -1.752 23.946 1.907 1.00 15.24 H new ATOM 0 HB3 LEU A 105 -3.470 23.680 1.681 1.00 15.24 H new ATOM 0 HG LEU A 105 -2.968 22.995 -0.699 1.00 11.41 H new ATOM 0 HD11 LEU A 105 -0.653 22.323 -1.208 1.00 2.23 H new ATOM 0 HD12 LEU A 105 -0.785 24.075 -0.924 1.00 2.23 H new ATOM 0 HD13 LEU A 105 -0.116 23.017 0.341 1.00 2.23 H new ATOM 0 HD21 LEU A 105 -2.169 20.754 -0.057 1.00 71.11 H new ATOM 0 HD22 LEU A 105 -1.692 21.386 1.537 1.00 71.11 H new ATOM 0 HD23 LEU A 105 -3.408 21.360 1.067 1.00 71.11 H new ATOM 1617 N GLN A 106 -4.755 24.720 -0.460 1.00 34.21 N ATOM 1618 CA GLN A 106 -5.720 24.658 -1.552 1.00 22.42 C ATOM 1619 C GLN A 106 -5.997 26.048 -2.113 1.00 14.42 C ATOM 1620 O GLN A 106 -6.485 26.190 -3.233 1.00 42.23 O ATOM 1621 CB GLN A 106 -7.024 24.018 -1.072 1.00 52.44 C ATOM 1622 CG GLN A 106 -7.736 24.822 0.004 1.00 52.35 C ATOM 1623 CD GLN A 106 -6.824 25.188 1.158 1.00 54.30 C ATOM 1624 OE1 GLN A 106 -6.695 26.360 1.515 1.00 71.32 O ATOM 1625 NE2 GLN A 106 -6.186 24.185 1.749 1.00 1.44 N ATOM 0 H GLN A 106 -5.027 24.199 0.373 1.00 34.21 H new ATOM 0 HA GLN A 106 -5.294 24.045 -2.346 1.00 22.42 H new ATOM 0 HB2 GLN A 106 -7.693 23.894 -1.924 1.00 52.44 H new ATOM 0 HB3 GLN A 106 -6.810 23.021 -0.687 1.00 52.44 H new ATOM 0 HG2 GLN A 106 -8.141 25.733 -0.437 1.00 52.35 H new ATOM 0 HG3 GLN A 106 -8.581 24.247 0.382 1.00 52.35 H new ATOM 0 HE21 GLN A 106 -6.323 23.229 1.420 1.00 1.44 H new ATOM 0 HE22 GLN A 106 -5.559 24.370 2.532 1.00 1.44 H new ATOM 1634 N ASN A 107 -5.684 27.072 -1.325 1.00 42.13 N ATOM 1635 CA ASN A 107 -5.901 28.452 -1.743 1.00 44.44 C ATOM 1636 C ASN A 107 -4.791 28.917 -2.682 1.00 75.15 C ATOM 1637 O ASN A 107 -5.030 29.696 -3.606 1.00 5.43 O ATOM 1638 CB ASN A 107 -5.969 29.372 -0.523 1.00 11.24 C ATOM 1639 CG ASN A 107 -5.404 30.751 -0.805 1.00 72.11 C ATOM 1640 OD1 ASN A 107 -6.114 31.641 -1.275 1.00 21.54 O ATOM 1641 ND2 ASN A 107 -4.120 30.934 -0.520 1.00 32.13 N ATOM 0 H ASN A 107 -5.279 26.972 -0.394 1.00 42.13 H new ATOM 0 HA ASN A 107 -6.849 28.498 -2.278 1.00 44.44 H new ATOM 0 HB2 ASN A 107 -7.006 29.466 -0.200 1.00 11.24 H new ATOM 0 HB3 ASN A 107 -5.419 28.919 0.301 1.00 11.24 H new ATOM 0 HD21 ASN A 107 -3.684 31.841 -0.689 1.00 32.13 H new ATOM 0 HD22 ASN A 107 -3.570 30.168 -0.132 1.00 32.13 H new ATOM 1648 N THR A 108 -3.577 28.432 -2.441 1.00 13.21 N ATOM 1649 CA THR A 108 -2.431 28.797 -3.264 1.00 10.34 C ATOM 1650 C THR A 108 -2.401 27.987 -4.555 1.00 4.43 C ATOM 1651 O THR A 108 -2.051 28.506 -5.615 1.00 64.23 O ATOM 1652 CB THR A 108 -1.106 28.586 -2.507 1.00 32.31 C ATOM 1653 OG1 THR A 108 -0.882 29.670 -1.599 1.00 44.45 O ATOM 1654 CG2 THR A 108 0.060 28.480 -3.477 1.00 64.14 C ATOM 0 H THR A 108 -3.362 27.785 -1.682 1.00 13.21 H new ATOM 0 HA THR A 108 -2.539 29.855 -3.505 1.00 10.34 H new ATOM 0 HB THR A 108 -1.178 27.654 -1.947 1.00 32.31 H new ATOM 0 HG1 THR A 108 -0.012 30.081 -1.788 1.00 44.45 H new ATOM 0 HG21 THR A 108 0.985 28.331 -2.919 1.00 64.14 H new ATOM 0 HG22 THR A 108 -0.100 27.635 -4.147 1.00 64.14 H new ATOM 0 HG23 THR A 108 0.132 29.398 -4.061 1.00 64.14 H new ATOM 1662 N ILE A 109 -2.770 26.715 -4.458 1.00 63.30 N ATOM 1663 CA ILE A 109 -2.786 25.834 -5.620 1.00 12.25 C ATOM 1664 C ILE A 109 -3.793 26.315 -6.659 1.00 62.34 C ATOM 1665 O ILE A 109 -3.646 26.046 -7.852 1.00 10.12 O ATOM 1666 CB ILE A 109 -3.127 24.385 -5.223 1.00 45.50 C ATOM 1667 CG1 ILE A 109 -1.904 23.702 -4.607 1.00 32.30 C ATOM 1668 CG2 ILE A 109 -3.622 23.608 -6.433 1.00 63.41 C ATOM 1669 CD1 ILE A 109 -1.723 24.000 -3.135 1.00 62.02 C ATOM 0 H ILE A 109 -3.062 26.271 -3.587 1.00 63.30 H new ATOM 0 HA ILE A 109 -1.784 25.858 -6.049 1.00 12.25 H new ATOM 0 HB ILE A 109 -3.923 24.404 -4.478 1.00 45.50 H new ATOM 0 HG12 ILE A 109 -1.993 22.624 -4.743 1.00 32.30 H new ATOM 0 HG13 ILE A 109 -1.011 24.019 -5.146 1.00 32.30 H new ATOM 0 HG21 ILE A 109 -3.859 22.586 -6.137 1.00 63.41 H new ATOM 0 HG22 ILE A 109 -4.516 24.087 -6.832 1.00 63.41 H new ATOM 0 HG23 ILE A 109 -2.846 23.593 -7.198 1.00 63.41 H new ATOM 0 HD11 ILE A 109 -0.837 23.483 -2.765 1.00 62.02 H new ATOM 0 HD12 ILE A 109 -1.602 25.074 -2.993 1.00 62.02 H new ATOM 0 HD13 ILE A 109 -2.599 23.658 -2.584 1.00 62.02 H new ATOM 1681 N VAL A 110 -4.815 27.029 -6.199 1.00 73.25 N ATOM 1682 CA VAL A 110 -5.846 27.550 -7.090 1.00 5.12 C ATOM 1683 C VAL A 110 -5.367 28.807 -7.807 1.00 51.33 C ATOM 1684 O VAL A 110 -5.776 29.086 -8.934 1.00 54.54 O ATOM 1685 CB VAL A 110 -7.141 27.872 -6.321 1.00 41.43 C ATOM 1686 CG1 VAL A 110 -7.712 26.614 -5.685 1.00 5.21 C ATOM 1687 CG2 VAL A 110 -6.884 28.942 -5.270 1.00 73.04 C ATOM 0 H VAL A 110 -4.952 27.260 -5.215 1.00 73.25 H new ATOM 0 HA VAL A 110 -6.053 26.772 -7.825 1.00 5.12 H new ATOM 0 HB VAL A 110 -7.876 28.258 -7.027 1.00 41.43 H new ATOM 0 HG11 VAL A 110 -8.627 26.862 -5.146 1.00 5.21 H new ATOM 0 HG12 VAL A 110 -7.935 25.883 -6.462 1.00 5.21 H new ATOM 0 HG13 VAL A 110 -6.984 26.195 -4.991 1.00 5.21 H new ATOM 0 HG21 VAL A 110 -7.810 29.157 -4.736 1.00 73.04 H new ATOM 0 HG22 VAL A 110 -6.133 28.586 -4.565 1.00 73.04 H new ATOM 0 HG23 VAL A 110 -6.525 29.850 -5.755 1.00 73.04 H new ATOM 1697 N LYS A 111 -4.497 29.564 -7.147 1.00 22.30 N ATOM 1698 CA LYS A 111 -3.959 30.792 -7.721 1.00 75.41 C ATOM 1699 C LYS A 111 -2.848 30.484 -8.719 1.00 44.41 C ATOM 1700 O LYS A 111 -2.617 31.245 -9.660 1.00 61.41 O ATOM 1701 CB LYS A 111 -3.428 31.706 -6.615 1.00 52.21 C ATOM 1702 CG LYS A 111 -1.918 31.659 -6.460 1.00 30.12 C ATOM 1703 CD LYS A 111 -1.493 31.990 -5.039 1.00 41.21 C ATOM 1704 CE LYS A 111 -1.051 33.440 -4.913 1.00 54.33 C ATOM 1705 NZ LYS A 111 -0.005 33.613 -3.868 1.00 62.21 N ATOM 0 H LYS A 111 -4.149 29.348 -6.213 1.00 22.30 H new ATOM 0 HA LYS A 111 -4.766 31.302 -8.248 1.00 75.41 H new ATOM 0 HB2 LYS A 111 -3.731 32.731 -6.826 1.00 52.21 H new ATOM 0 HB3 LYS A 111 -3.891 31.425 -5.669 1.00 52.21 H new ATOM 0 HG2 LYS A 111 -1.555 30.667 -6.728 1.00 30.12 H new ATOM 0 HG3 LYS A 111 -1.458 32.364 -7.152 1.00 30.12 H new ATOM 0 HD2 LYS A 111 -2.322 31.801 -4.357 1.00 41.21 H new ATOM 0 HD3 LYS A 111 -0.677 31.332 -4.740 1.00 41.21 H new ATOM 0 HE2 LYS A 111 -0.667 33.787 -5.872 1.00 54.33 H new ATOM 0 HE3 LYS A 111 -1.912 34.062 -4.671 1.00 54.33 H new ATOM 0 HZ1 LYS A 111 0.269 34.615 -3.814 1.00 62.21 H new ATOM 0 HZ2 LYS A 111 -0.380 33.306 -2.948 1.00 62.21 H new ATOM 0 HZ3 LYS A 111 0.827 33.039 -4.112 1.00 62.21 H new ATOM 1719 N HIS A 112 -2.162 29.365 -8.509 1.00 12.13 N ATOM 1720 CA HIS A 112 -1.075 28.957 -9.392 1.00 35.32 C ATOM 1721 C HIS A 112 -1.538 27.867 -10.354 1.00 70.12 C ATOM 1722 O HIS A 112 -1.286 27.938 -11.557 1.00 44.50 O ATOM 1723 CB HIS A 112 0.116 28.458 -8.573 1.00 15.22 C ATOM 1724 CG HIS A 112 0.577 29.432 -7.533 1.00 42.31 C ATOM 1725 ND1 HIS A 112 1.020 29.235 -6.269 1.00 33.35 N flip ATOM 1726 CD2 HIS A 112 0.616 30.795 -7.743 1.00 72.23 C flip ATOM 1727 CE1 HIS A 112 1.316 30.469 -5.744 1.00 72.12 C flip ATOM 1728 NE2 HIS A 112 1.064 31.393 -6.653 1.00 71.40 N flip ATOM 0 H HIS A 112 -2.340 28.725 -7.735 1.00 12.13 H new ATOM 0 HA HIS A 112 -0.767 29.825 -9.974 1.00 35.32 H new ATOM 0 HB2 HIS A 112 -0.155 27.521 -8.087 1.00 15.22 H new ATOM 0 HB3 HIS A 112 0.944 28.240 -9.247 1.00 15.22 H new ATOM 0 HD1 HIS A 112 1.116 28.337 -5.795 1.00 33.35 H new ATOM 0 HD2 HIS A 112 0.326 31.295 -8.655 1.00 72.23 H new ATOM 0 HE1 HIS A 112 1.694 30.654 -4.749 1.00 72.12 H new ATOM 1736 N VAL A 113 -2.216 26.858 -9.816 1.00 61.24 N ATOM 1737 CA VAL A 113 -2.714 25.753 -10.627 1.00 41.12 C ATOM 1738 C VAL A 113 -4.158 25.991 -11.053 1.00 14.23 C ATOM 1739 O VAL A 113 -4.584 25.549 -12.119 1.00 25.20 O ATOM 1740 CB VAL A 113 -2.628 24.416 -9.868 1.00 22.14 C ATOM 1741 CG1 VAL A 113 -2.672 23.246 -10.839 1.00 2.12 C ATOM 1742 CG2 VAL A 113 -1.367 24.367 -9.018 1.00 31.23 C ATOM 0 H VAL A 113 -2.433 26.783 -8.822 1.00 61.24 H new ATOM 0 HA VAL A 113 -2.081 25.701 -11.513 1.00 41.12 H new ATOM 0 HB VAL A 113 -3.490 24.339 -9.205 1.00 22.14 H new ATOM 0 HG11 VAL A 113 -2.610 22.310 -10.284 1.00 2.12 H new ATOM 0 HG12 VAL A 113 -3.606 23.274 -11.400 1.00 2.12 H new ATOM 0 HG13 VAL A 113 -1.832 23.315 -11.530 1.00 2.12 H new ATOM 0 HG21 VAL A 113 -1.322 23.415 -8.488 1.00 31.23 H new ATOM 0 HG22 VAL A 113 -0.492 24.467 -9.660 1.00 31.23 H new ATOM 0 HG23 VAL A 113 -1.383 25.184 -8.296 1.00 31.23 H new ATOM 1752 N GLY A 114 -4.909 26.695 -10.211 1.00 35.44 N ATOM 1753 CA GLY A 114 -6.299 26.980 -10.517 1.00 41.20 C ATOM 1754 C GLY A 114 -6.453 28.132 -11.491 1.00 31.25 C ATOM 1755 O GLY A 114 -7.508 28.300 -12.101 1.00 52.11 O ATOM 0 H GLY A 114 -4.580 27.073 -9.323 1.00 35.44 H new ATOM 0 HA2 GLY A 114 -6.766 26.089 -10.936 1.00 41.20 H new ATOM 0 HA3 GLY A 114 -6.830 27.214 -9.595 1.00 41.20 H new ATOM 1759 N ALA A 115 -5.399 28.928 -11.635 1.00 22.14 N ATOM 1760 CA ALA A 115 -5.422 30.069 -12.541 1.00 4.42 C ATOM 1761 C ALA A 115 -6.624 30.966 -12.264 1.00 43.00 C ATOM 1762 O ALA A 115 -6.981 31.814 -13.083 1.00 32.14 O ATOM 1763 CB ALA A 115 -5.436 29.595 -13.986 1.00 50.45 C ATOM 0 H ALA A 115 -4.518 28.804 -11.136 1.00 22.14 H new ATOM 0 HA ALA A 115 -4.518 30.655 -12.371 1.00 4.42 H new ATOM 0 HB1 ALA A 115 -5.453 30.458 -14.652 1.00 50.45 H new ATOM 0 HB2 ALA A 115 -4.543 29.002 -14.183 1.00 50.45 H new ATOM 0 HB3 ALA A 115 -6.322 28.985 -14.160 1.00 50.45 H new ATOM 1769 N THR A 116 -7.246 30.773 -11.105 1.00 4.31 N ATOM 1770 CA THR A 116 -8.409 31.563 -10.721 1.00 42.11 C ATOM 1771 C THR A 116 -8.616 31.539 -9.211 1.00 4.30 C ATOM 1772 O THR A 116 -9.703 31.223 -8.729 1.00 2.52 O ATOM 1773 CB THR A 116 -9.688 31.052 -11.411 1.00 65.30 C ATOM 1774 OG1 THR A 116 -9.616 29.632 -11.584 1.00 75.01 O ATOM 1775 CG2 THR A 116 -9.879 31.723 -12.762 1.00 40.53 C ATOM 0 H THR A 116 -6.963 30.076 -10.416 1.00 4.31 H new ATOM 0 HA THR A 116 -8.216 32.586 -11.042 1.00 42.11 H new ATOM 0 HB THR A 116 -10.540 31.298 -10.777 1.00 65.30 H new ATOM 0 HG1 THR A 116 -8.834 29.408 -12.130 1.00 75.01 H new ATOM 0 HG21 THR A 116 -10.788 31.346 -13.230 1.00 40.53 H new ATOM 0 HG22 THR A 116 -9.962 32.801 -12.624 1.00 40.53 H new ATOM 0 HG23 THR A 116 -9.024 31.503 -13.401 1.00 40.53 H new ATOM 1783 N ALA A 117 -7.565 31.876 -8.469 1.00 54.03 N ATOM 1784 CA ALA A 117 -7.633 31.896 -7.013 1.00 73.24 C ATOM 1785 C ALA A 117 -9.028 32.285 -6.534 1.00 63.21 C ATOM 1786 O ALA A 117 -9.722 33.067 -7.183 1.00 62.43 O ATOM 1787 CB ALA A 117 -6.593 32.853 -6.450 1.00 33.45 C ATOM 0 H ALA A 117 -6.657 32.139 -8.853 1.00 54.03 H new ATOM 0 HA ALA A 117 -7.420 30.891 -6.649 1.00 73.24 H new ATOM 0 HB1 ALA A 117 -6.655 32.858 -5.362 1.00 33.45 H new ATOM 0 HB2 ALA A 117 -5.598 32.530 -6.755 1.00 33.45 H new ATOM 0 HB3 ALA A 117 -6.780 33.858 -6.829 1.00 33.45 H new ATOM 1793 N ALA A 118 -9.432 31.734 -5.394 1.00 62.43 N ATOM 1794 CA ALA A 118 -10.743 32.024 -4.828 1.00 0.32 C ATOM 1795 C ALA A 118 -10.732 33.346 -4.067 1.00 64.11 C ATOM 1796 O ALA A 118 -11.366 34.316 -4.480 1.00 52.33 O ATOM 1797 CB ALA A 118 -11.186 30.891 -3.914 1.00 53.14 C ATOM 0 H ALA A 118 -8.870 31.084 -4.844 1.00 62.43 H new ATOM 0 HA ALA A 118 -11.454 32.113 -5.649 1.00 0.32 H new ATOM 0 HB1 ALA A 118 -12.167 31.121 -3.498 1.00 53.14 H new ATOM 0 HB2 ALA A 118 -11.242 29.964 -4.485 1.00 53.14 H new ATOM 0 HB3 ALA A 118 -10.467 30.775 -3.103 1.00 53.14 H new ATOM 1803 N SER A 119 -10.007 33.376 -2.953 1.00 42.14 N ATOM 1804 CA SER A 119 -9.917 34.578 -2.132 1.00 63.23 C ATOM 1805 C SER A 119 -8.768 35.468 -2.596 1.00 62.13 C ATOM 1806 O SER A 119 -8.946 36.665 -2.817 1.00 1.42 O ATOM 1807 CB SER A 119 -9.725 34.203 -0.662 1.00 25.05 C ATOM 1808 OG SER A 119 -10.099 35.272 0.190 1.00 21.33 O ATOM 0 H SER A 119 -9.474 32.582 -2.598 1.00 42.14 H new ATOM 0 HA SER A 119 -10.849 35.133 -2.240 1.00 63.23 H new ATOM 0 HB2 SER A 119 -10.321 33.321 -0.428 1.00 25.05 H new ATOM 0 HB3 SER A 119 -8.682 33.939 -0.484 1.00 25.05 H new ATOM 0 HG SER A 119 -9.969 35.007 1.124 1.00 21.33 H new ATOM 1814 N ALA A 120 -7.588 34.873 -2.742 1.00 74.02 N ATOM 1815 CA ALA A 120 -6.410 35.610 -3.182 1.00 31.03 C ATOM 1816 C ALA A 120 -6.771 36.636 -4.250 1.00 74.04 C ATOM 1817 O ALA A 120 -6.577 37.837 -4.062 1.00 73.14 O ATOM 1818 CB ALA A 120 -5.352 34.650 -3.705 1.00 50.01 C ATOM 0 H ALA A 120 -7.423 33.883 -2.562 1.00 74.02 H new ATOM 0 HA ALA A 120 -6.006 36.146 -2.323 1.00 31.03 H new ATOM 0 HB1 ALA A 120 -4.478 35.214 -4.030 1.00 50.01 H new ATOM 0 HB2 ALA A 120 -5.064 33.959 -2.913 1.00 50.01 H new ATOM 0 HB3 ALA A 120 -5.755 34.088 -4.547 1.00 50.01 H new ATOM 1824 N SER A 121 -7.297 36.155 -5.372 1.00 72.14 N ATOM 1825 CA SER A 121 -7.681 37.030 -6.473 1.00 53.54 C ATOM 1826 C SER A 121 -6.452 37.656 -7.125 1.00 24.04 C ATOM 1827 O SER A 121 -6.462 38.829 -7.497 1.00 23.12 O ATOM 1828 CB SER A 121 -8.623 38.129 -5.975 1.00 23.41 C ATOM 1829 OG SER A 121 -9.439 38.616 -7.026 1.00 2.53 O ATOM 0 H SER A 121 -7.467 35.164 -5.542 1.00 72.14 H new ATOM 0 HA SER A 121 -8.199 36.427 -7.219 1.00 53.54 H new ATOM 0 HB2 SER A 121 -9.251 37.739 -5.174 1.00 23.41 H new ATOM 0 HB3 SER A 121 -8.040 38.948 -5.553 1.00 23.41 H new ATOM 0 HG SER A 121 -10.033 39.316 -6.682 1.00 2.53 H new ATOM 1835 N ALA A 122 -5.393 36.864 -7.258 1.00 71.43 N ATOM 1836 CA ALA A 122 -4.156 37.338 -7.866 1.00 22.42 C ATOM 1837 C ALA A 122 -3.080 36.257 -7.836 1.00 12.15 C ATOM 1838 O ALA A 122 -1.886 36.557 -7.847 1.00 25.41 O ATOM 1839 CB ALA A 122 -3.667 38.592 -7.157 1.00 43.02 C ATOM 0 H ALA A 122 -5.367 35.891 -6.953 1.00 71.43 H new ATOM 0 HA ALA A 122 -4.362 37.580 -8.909 1.00 22.42 H new ATOM 0 HB1 ALA A 122 -2.742 38.935 -7.621 1.00 43.02 H new ATOM 0 HB2 ALA A 122 -4.424 39.373 -7.235 1.00 43.02 H new ATOM 0 HB3 ALA A 122 -3.484 38.368 -6.106 1.00 43.02 H new TER 1845 ALA A 122