USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0013 (180deg=-0.126) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 38 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 91:sc= -0.0159 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= -3.28! (180deg=-8.74!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -141:sc= -0.596 USER MOD Single : A 51 THR OG1 : rot 178:sc= 0.8 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 55 TYR OH : rot 16:sc= 0.0716 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -100:sc= 0.0423 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.120 -0.006 -0.512 1.00 73.42 N ATOM 2 CA MET A 9 2.051 -0.256 -1.606 1.00 51.14 C ATOM 3 C MET A 9 1.730 -1.574 -2.303 1.00 60.34 C ATOM 4 O MET A 9 2.576 -2.464 -2.391 1.00 23.31 O ATOM 5 CB MET A 9 3.489 -0.278 -1.086 1.00 2.25 C ATOM 6 CG MET A 9 3.983 1.078 -0.606 1.00 74.24 C ATOM 7 SD MET A 9 5.642 1.462 -1.199 1.00 14.20 S ATOM 8 CE MET A 9 5.862 3.113 -0.540 1.00 44.01 C ATOM 0 HA MET A 9 1.947 0.552 -2.330 1.00 51.14 H new ATOM 0 HB2 MET A 9 3.559 -0.992 -0.266 1.00 2.25 H new ATOM 0 HB3 MET A 9 4.147 -0.636 -1.877 1.00 2.25 H new ATOM 0 HG2 MET A 9 3.293 1.852 -0.942 1.00 74.24 H new ATOM 0 HG3 MET A 9 3.977 1.098 0.484 1.00 74.24 H new ATOM 0 HE1 MET A 9 6.845 3.490 -0.823 1.00 44.01 H new ATOM 0 HE2 MET A 9 5.092 3.771 -0.942 1.00 44.01 H new ATOM 0 HE3 MET A 9 5.783 3.084 0.547 1.00 44.01 H new ATOM 18 N LYS A 10 0.503 -1.694 -2.798 1.00 14.41 N ATOM 19 CA LYS A 10 0.069 -2.903 -3.488 1.00 44.42 C ATOM 20 C LYS A 10 -0.575 -2.563 -4.828 1.00 51.33 C ATOM 21 O LYS A 10 -1.415 -1.667 -4.914 1.00 13.42 O ATOM 22 CB LYS A 10 -0.918 -3.685 -2.619 1.00 50.22 C ATOM 23 CG LYS A 10 -0.273 -4.357 -1.420 1.00 24.11 C ATOM 24 CD LYS A 10 -1.142 -5.477 -0.873 1.00 55.41 C ATOM 25 CE LYS A 10 -0.356 -6.769 -0.719 1.00 62.22 C ATOM 26 NZ LYS A 10 0.358 -6.832 0.586 1.00 32.13 N ATOM 0 H LYS A 10 -0.210 -0.967 -2.734 1.00 14.41 H new ATOM 0 HA LYS A 10 0.948 -3.521 -3.674 1.00 44.42 H new ATOM 0 HB2 LYS A 10 -1.697 -3.008 -2.270 1.00 50.22 H new ATOM 0 HB3 LYS A 10 -1.406 -4.444 -3.231 1.00 50.22 H new ATOM 0 HG2 LYS A 10 0.700 -4.757 -1.706 1.00 24.11 H new ATOM 0 HG3 LYS A 10 -0.097 -3.618 -0.639 1.00 24.11 H new ATOM 0 HD2 LYS A 10 -1.552 -5.182 0.093 1.00 55.41 H new ATOM 0 HD3 LYS A 10 -1.988 -5.642 -1.541 1.00 55.41 H new ATOM 0 HE2 LYS A 10 -1.034 -7.619 -0.803 1.00 62.22 H new ATOM 0 HE3 LYS A 10 0.365 -6.854 -1.532 1.00 62.22 H new ATOM 0 HZ1 LYS A 10 0.882 -7.728 0.652 1.00 32.13 H new ATOM 0 HZ2 LYS A 10 1.023 -6.036 0.656 1.00 32.13 H new ATOM 0 HZ3 LYS A 10 -0.332 -6.776 1.362 1.00 32.13 H new ATOM 40 N ILE A 11 -0.177 -3.284 -5.871 1.00 34.22 N ATOM 41 CA ILE A 11 -0.719 -3.060 -7.205 1.00 63.04 C ATOM 42 C ILE A 11 -1.128 -4.375 -7.861 1.00 12.34 C ATOM 43 O ILE A 11 -0.477 -5.403 -7.675 1.00 33.20 O ATOM 44 CB ILE A 11 0.298 -2.343 -8.112 1.00 45.53 C ATOM 45 CG1 ILE A 11 1.546 -3.208 -8.300 1.00 44.31 C ATOM 46 CG2 ILE A 11 0.669 -0.989 -7.525 1.00 42.10 C ATOM 47 CD1 ILE A 11 1.547 -3.995 -9.592 1.00 30.25 C ATOM 0 H ILE A 11 0.519 -4.028 -5.818 1.00 34.22 H new ATOM 0 HA ILE A 11 -1.598 -2.427 -7.086 1.00 63.04 H new ATOM 0 HB ILE A 11 -0.159 -2.181 -9.088 1.00 45.53 H new ATOM 0 HG12 ILE A 11 2.429 -2.569 -8.273 1.00 44.31 H new ATOM 0 HG13 ILE A 11 1.628 -3.900 -7.462 1.00 44.31 H new ATOM 0 HG21 ILE A 11 1.389 -0.494 -8.177 1.00 42.10 H new ATOM 0 HG22 ILE A 11 -0.226 -0.373 -7.438 1.00 42.10 H new ATOM 0 HG23 ILE A 11 1.110 -1.129 -6.538 1.00 42.10 H new ATOM 0 HD11 ILE A 11 2.461 -4.585 -9.658 1.00 30.25 H new ATOM 0 HD12 ILE A 11 0.684 -4.660 -9.614 1.00 30.25 H new ATOM 0 HD13 ILE A 11 1.497 -3.308 -10.437 1.00 30.25 H new ATOM 59 N LYS A 12 -2.211 -4.334 -8.630 1.00 22.02 N ATOM 60 CA LYS A 12 -2.707 -5.521 -9.317 1.00 11.35 C ATOM 61 C LYS A 12 -2.662 -5.332 -10.830 1.00 20.55 C ATOM 62 O LYS A 12 -3.282 -4.416 -11.369 1.00 14.31 O ATOM 63 CB LYS A 12 -4.139 -5.831 -8.873 1.00 4.50 C ATOM 64 CG LYS A 12 -4.221 -6.863 -7.762 1.00 72.44 C ATOM 65 CD LYS A 12 -4.656 -8.219 -8.293 1.00 62.32 C ATOM 66 CE LYS A 12 -6.110 -8.509 -7.957 1.00 35.44 C ATOM 67 NZ LYS A 12 -6.354 -9.965 -7.759 1.00 74.13 N ATOM 0 H LYS A 12 -2.762 -3.491 -8.793 1.00 22.02 H new ATOM 0 HA LYS A 12 -2.062 -6.359 -9.054 1.00 11.35 H new ATOM 0 HB2 LYS A 12 -4.614 -4.909 -8.537 1.00 4.50 H new ATOM 0 HB3 LYS A 12 -4.708 -6.188 -9.732 1.00 4.50 H new ATOM 0 HG2 LYS A 12 -3.249 -6.956 -7.277 1.00 72.44 H new ATOM 0 HG3 LYS A 12 -4.925 -6.526 -7.002 1.00 72.44 H new ATOM 0 HD2 LYS A 12 -4.518 -8.249 -9.374 1.00 62.32 H new ATOM 0 HD3 LYS A 12 -4.021 -8.997 -7.869 1.00 62.32 H new ATOM 0 HE2 LYS A 12 -6.389 -7.968 -7.053 1.00 35.44 H new ATOM 0 HE3 LYS A 12 -6.749 -8.140 -8.759 1.00 35.44 H new ATOM 0 HZ1 LYS A 12 -7.369 -10.165 -7.869 1.00 74.13 H new ATOM 0 HZ2 LYS A 12 -5.816 -10.506 -8.465 1.00 74.13 H new ATOM 0 HZ3 LYS A 12 -6.048 -10.242 -6.804 1.00 74.13 H new ATOM 81 N ILE A 13 -1.926 -6.206 -11.508 1.00 61.11 N ATOM 82 CA ILE A 13 -1.803 -6.137 -12.959 1.00 0.31 C ATOM 83 C ILE A 13 -2.590 -7.256 -13.631 1.00 61.44 C ATOM 84 O ILE A 13 -2.332 -8.438 -13.399 1.00 11.42 O ATOM 85 CB ILE A 13 -0.331 -6.220 -13.404 1.00 21.33 C ATOM 86 CG1 ILE A 13 0.533 -5.276 -12.565 1.00 15.30 C ATOM 87 CG2 ILE A 13 -0.205 -5.888 -14.883 1.00 70.41 C ATOM 88 CD1 ILE A 13 1.994 -5.286 -12.956 1.00 12.24 C ATOM 0 H ILE A 13 -1.406 -6.970 -11.076 1.00 61.11 H new ATOM 0 HA ILE A 13 -2.212 -5.174 -13.265 1.00 0.31 H new ATOM 0 HB ILE A 13 0.023 -7.239 -13.249 1.00 21.33 H new ATOM 0 HG12 ILE A 13 0.147 -4.261 -12.661 1.00 15.30 H new ATOM 0 HG13 ILE A 13 0.445 -5.553 -11.514 1.00 15.30 H new ATOM 0 HG21 ILE A 13 0.841 -5.951 -15.182 1.00 70.41 H new ATOM 0 HG22 ILE A 13 -0.793 -6.597 -15.466 1.00 70.41 H new ATOM 0 HG23 ILE A 13 -0.573 -4.878 -15.062 1.00 70.41 H new ATOM 0 HD11 ILE A 13 2.546 -4.594 -12.320 1.00 12.24 H new ATOM 0 HD12 ILE A 13 2.397 -6.291 -12.833 1.00 12.24 H new ATOM 0 HD13 ILE A 13 2.094 -4.980 -13.997 1.00 12.24 H new ATOM 100 N VAL A 14 -3.550 -6.877 -14.468 1.00 74.24 N ATOM 101 CA VAL A 14 -4.374 -7.849 -15.178 1.00 2.00 C ATOM 102 C VAL A 14 -3.930 -7.989 -16.630 1.00 31.43 C ATOM 103 O VAL A 14 -4.116 -7.091 -17.451 1.00 65.32 O ATOM 104 CB VAL A 14 -5.862 -7.455 -15.143 1.00 54.04 C ATOM 105 CG1 VAL A 14 -6.726 -8.584 -15.685 1.00 54.42 C ATOM 106 CG2 VAL A 14 -6.282 -7.083 -13.729 1.00 40.13 C ATOM 0 H VAL A 14 -3.777 -5.904 -14.671 1.00 74.24 H new ATOM 0 HA VAL A 14 -4.247 -8.804 -14.669 1.00 2.00 H new ATOM 0 HB VAL A 14 -6.004 -6.582 -15.781 1.00 54.04 H new ATOM 0 HG11 VAL A 14 -7.774 -8.288 -15.653 1.00 54.42 H new ATOM 0 HG12 VAL A 14 -6.441 -8.798 -16.715 1.00 54.42 H new ATOM 0 HG13 VAL A 14 -6.582 -9.477 -15.076 1.00 54.42 H new ATOM 0 HG21 VAL A 14 -7.337 -6.807 -13.723 1.00 40.13 H new ATOM 0 HG22 VAL A 14 -6.126 -7.935 -13.067 1.00 40.13 H new ATOM 0 HG23 VAL A 14 -5.685 -6.240 -13.382 1.00 40.13 H new ATOM 116 N PRO A 15 -3.330 -9.144 -16.956 1.00 3.32 N ATOM 117 CA PRO A 15 -2.848 -9.430 -18.310 1.00 63.13 C ATOM 118 C PRO A 15 -3.989 -9.630 -19.302 1.00 20.35 C ATOM 119 O PRO A 15 -5.040 -10.166 -18.952 1.00 71.52 O ATOM 120 CB PRO A 15 -2.056 -10.729 -18.138 1.00 5.54 C ATOM 121 CG PRO A 15 -2.650 -11.378 -16.936 1.00 73.32 C ATOM 122 CD PRO A 15 -3.076 -10.258 -16.028 1.00 22.24 C ATOM 0 HA PRO A 15 -2.260 -8.606 -18.715 1.00 63.13 H new ATOM 0 HB2 PRO A 15 -2.146 -11.367 -19.017 1.00 5.54 H new ATOM 0 HB3 PRO A 15 -0.994 -10.529 -17.996 1.00 5.54 H new ATOM 0 HG2 PRO A 15 -3.500 -12.003 -17.210 1.00 73.32 H new ATOM 0 HG3 PRO A 15 -1.924 -12.025 -16.443 1.00 73.32 H new ATOM 0 HD2 PRO A 15 -3.969 -10.519 -15.460 1.00 22.24 H new ATOM 0 HD3 PRO A 15 -2.299 -10.009 -15.305 1.00 22.24 H new ATOM 130 N ALA A 16 -3.775 -9.196 -20.539 1.00 64.22 N ATOM 131 CA ALA A 16 -4.785 -9.330 -21.581 1.00 63.35 C ATOM 132 C ALA A 16 -4.439 -10.467 -22.538 1.00 13.13 C ATOM 133 O ALA A 16 -4.327 -10.262 -23.747 1.00 32.35 O ATOM 134 CB ALA A 16 -4.932 -8.022 -22.345 1.00 34.43 C ATOM 0 H ALA A 16 -2.911 -8.748 -20.844 1.00 64.22 H new ATOM 0 HA ALA A 16 -5.735 -9.568 -21.103 1.00 63.35 H new ATOM 0 HB1 ALA A 16 -5.690 -8.137 -23.120 1.00 34.43 H new ATOM 0 HB2 ALA A 16 -5.233 -7.231 -21.658 1.00 34.43 H new ATOM 0 HB3 ALA A 16 -3.979 -7.760 -22.805 1.00 34.43 H new ATOM 140 N VAL A 17 -4.271 -11.666 -21.989 1.00 2.45 N ATOM 141 CA VAL A 17 -3.938 -12.835 -22.793 1.00 73.21 C ATOM 142 C VAL A 17 -4.435 -14.116 -22.132 1.00 71.12 C ATOM 143 O VAL A 17 -4.158 -14.370 -20.961 1.00 33.42 O ATOM 144 CB VAL A 17 -2.419 -12.945 -23.023 1.00 13.00 C ATOM 145 CG1 VAL A 17 -1.956 -11.910 -24.037 1.00 13.33 C ATOM 146 CG2 VAL A 17 -1.669 -12.789 -21.709 1.00 14.23 C ATOM 0 H VAL A 17 -4.360 -11.853 -20.990 1.00 2.45 H new ATOM 0 HA VAL A 17 -4.435 -12.709 -23.755 1.00 73.21 H new ATOM 0 HB VAL A 17 -2.200 -13.935 -23.424 1.00 13.00 H new ATOM 0 HG11 VAL A 17 -0.880 -12.003 -24.187 1.00 13.33 H new ATOM 0 HG12 VAL A 17 -2.470 -12.074 -24.984 1.00 13.33 H new ATOM 0 HG13 VAL A 17 -2.186 -10.911 -23.668 1.00 13.33 H new ATOM 0 HG21 VAL A 17 -0.597 -12.869 -21.890 1.00 14.23 H new ATOM 0 HG22 VAL A 17 -1.892 -11.814 -21.276 1.00 14.23 H new ATOM 0 HG23 VAL A 17 -1.980 -13.572 -21.017 1.00 14.23 H new ATOM 156 N GLY A 18 -5.171 -14.921 -22.893 1.00 31.23 N ATOM 157 CA GLY A 18 -5.695 -16.167 -22.364 1.00 1.00 C ATOM 158 C GLY A 18 -6.430 -15.977 -21.052 1.00 42.40 C ATOM 159 O GLY A 18 -5.935 -16.362 -19.994 1.00 32.33 O ATOM 0 H GLY A 18 -5.413 -14.733 -23.866 1.00 31.23 H new ATOM 0 HA2 GLY A 18 -6.371 -16.612 -23.094 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -4.875 -16.870 -22.219 1.00 1.00 H new ATOM 163 N GLY A 19 -7.615 -15.378 -21.121 1.00 10.34 N ATOM 164 CA GLY A 19 -8.399 -15.145 -19.922 1.00 33.51 C ATOM 165 C GLY A 19 -7.953 -13.909 -19.167 1.00 64.13 C ATOM 166 O GLY A 19 -8.754 -13.017 -18.893 1.00 72.03 O ATOM 0 H GLY A 19 -8.046 -15.050 -21.985 1.00 10.34 H new ATOM 0 HA2 GLY A 19 -9.450 -15.041 -20.193 1.00 33.51 H new ATOM 0 HA3 GLY A 19 -8.323 -16.013 -19.268 1.00 33.51 H new ATOM 170 N GLY A 20 -6.668 -13.856 -18.829 1.00 22.15 N ATOM 171 CA GLY A 20 -6.139 -12.717 -18.102 1.00 45.44 C ATOM 172 C GLY A 20 -6.424 -12.793 -16.616 1.00 30.04 C ATOM 173 O GLY A 20 -7.517 -12.446 -16.168 1.00 2.21 O ATOM 0 H GLY A 20 -5.984 -14.581 -19.046 1.00 22.15 H new ATOM 0 HA2 GLY A 20 -5.062 -12.658 -18.259 1.00 45.44 H new ATOM 0 HA3 GLY A 20 -6.571 -11.801 -18.505 1.00 45.44 H new ATOM 177 N SER A 21 -5.440 -13.250 -15.848 1.00 63.33 N ATOM 178 CA SER A 21 -5.592 -13.377 -14.404 1.00 14.34 C ATOM 179 C SER A 21 -4.809 -12.288 -13.677 1.00 44.22 C ATOM 180 O SER A 21 -3.611 -12.100 -13.893 1.00 71.04 O ATOM 181 CB SER A 21 -5.122 -14.756 -13.939 1.00 22.15 C ATOM 182 OG SER A 21 -5.689 -15.092 -12.684 1.00 24.11 O ATOM 0 H SER A 21 -4.528 -13.539 -16.203 1.00 63.33 H new ATOM 0 HA SER A 21 -6.649 -13.262 -14.164 1.00 14.34 H new ATOM 0 HB2 SER A 21 -5.399 -15.507 -14.679 1.00 22.15 H new ATOM 0 HB3 SER A 21 -4.035 -14.767 -13.865 1.00 22.15 H new ATOM 0 HG SER A 21 -5.374 -15.979 -12.410 1.00 24.11 H new ATOM 188 N PRO A 22 -5.499 -11.552 -12.794 1.00 55.10 N ATOM 189 CA PRO A 22 -4.889 -10.469 -12.017 1.00 32.23 C ATOM 190 C PRO A 22 -3.912 -10.988 -10.968 1.00 22.33 C ATOM 191 O PRO A 22 -4.232 -11.899 -10.202 1.00 51.15 O ATOM 192 CB PRO A 22 -6.088 -9.796 -11.344 1.00 32.32 C ATOM 193 CG PRO A 22 -7.127 -10.862 -11.267 1.00 42.54 C ATOM 194 CD PRO A 22 -6.929 -11.720 -12.486 1.00 35.42 C ATOM 0 HA PRO A 22 -4.303 -9.798 -12.644 1.00 32.23 H new ATOM 0 HB2 PRO A 22 -5.828 -9.424 -10.353 1.00 32.32 H new ATOM 0 HB3 PRO A 22 -6.439 -8.942 -11.923 1.00 32.32 H new ATOM 0 HG2 PRO A 22 -7.018 -11.448 -10.355 1.00 42.54 H new ATOM 0 HG3 PRO A 22 -8.128 -10.431 -11.251 1.00 42.54 H new ATOM 0 HD2 PRO A 22 -7.177 -12.763 -12.288 1.00 35.42 H new ATOM 0 HD3 PRO A 22 -7.559 -11.394 -13.313 1.00 35.42 H new ATOM 202 N LEU A 23 -2.719 -10.404 -10.937 1.00 32.03 N ATOM 203 CA LEU A 23 -1.694 -10.807 -9.980 1.00 72.53 C ATOM 204 C LEU A 23 -1.344 -9.658 -9.040 1.00 62.35 C ATOM 205 O LEU A 23 -1.122 -8.531 -9.480 1.00 53.40 O ATOM 206 CB LEU A 23 -0.439 -11.280 -10.717 1.00 14.04 C ATOM 207 CG LEU A 23 0.678 -11.848 -9.841 1.00 45.14 C ATOM 208 CD1 LEU A 23 0.305 -13.230 -9.329 1.00 21.21 C ATOM 209 CD2 LEU A 23 1.988 -11.900 -10.615 1.00 54.24 C ATOM 0 H LEU A 23 -2.438 -9.650 -11.563 1.00 32.03 H new ATOM 0 HA LEU A 23 -2.090 -11.630 -9.385 1.00 72.53 H new ATOM 0 HB2 LEU A 23 -0.731 -12.043 -11.439 1.00 14.04 H new ATOM 0 HB3 LEU A 23 -0.037 -10.441 -11.285 1.00 14.04 H new ATOM 0 HG LEU A 23 0.811 -11.189 -8.983 1.00 45.14 H new ATOM 0 HD11 LEU A 23 1.112 -13.618 -8.708 1.00 21.21 H new ATOM 0 HD12 LEU A 23 -0.609 -13.165 -8.738 1.00 21.21 H new ATOM 0 HD13 LEU A 23 0.144 -13.900 -10.174 1.00 21.21 H new ATOM 0 HD21 LEU A 23 2.772 -12.307 -9.976 1.00 54.24 H new ATOM 0 HD22 LEU A 23 1.868 -12.536 -11.492 1.00 54.24 H new ATOM 0 HD23 LEU A 23 2.264 -10.894 -10.932 1.00 54.24 H new ATOM 221 N GLU A 24 -1.294 -9.954 -7.745 1.00 44.03 N ATOM 222 CA GLU A 24 -0.968 -8.945 -6.744 1.00 54.12 C ATOM 223 C GLU A 24 0.515 -8.988 -6.390 1.00 63.12 C ATOM 224 O GLU A 24 1.056 -10.044 -6.058 1.00 15.03 O ATOM 225 CB GLU A 24 -1.811 -9.155 -5.484 1.00 41.42 C ATOM 226 CG GLU A 24 -1.960 -7.902 -4.636 1.00 60.54 C ATOM 227 CD GLU A 24 -3.309 -7.821 -3.948 1.00 25.42 C ATOM 228 OE1 GLU A 24 -3.731 -8.832 -3.349 1.00 31.05 O ATOM 229 OE2 GLU A 24 -3.941 -6.746 -4.008 1.00 71.13 O ATOM 0 H GLU A 24 -1.475 -10.883 -7.365 1.00 44.03 H new ATOM 0 HA GLU A 24 -1.194 -7.966 -7.165 1.00 54.12 H new ATOM 0 HB2 GLU A 24 -2.801 -9.507 -5.774 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -1.357 -9.941 -4.880 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -1.171 -7.880 -3.884 1.00 60.54 H new ATOM 0 HG3 GLU A 24 -1.824 -7.023 -5.266 1.00 60.54 H new ATOM 236 N LEU A 25 1.169 -7.834 -6.465 1.00 12.15 N ATOM 237 CA LEU A 25 2.591 -7.738 -6.153 1.00 33.43 C ATOM 238 C LEU A 25 2.908 -6.420 -5.454 1.00 54.24 C ATOM 239 O LEU A 25 2.150 -5.455 -5.556 1.00 63.44 O ATOM 240 CB LEU A 25 3.423 -7.865 -7.430 1.00 53.01 C ATOM 241 CG LEU A 25 4.308 -9.108 -7.534 1.00 53.43 C ATOM 242 CD1 LEU A 25 3.481 -10.320 -7.933 1.00 33.01 C ATOM 243 CD2 LEU A 25 5.435 -8.878 -8.530 1.00 51.44 C ATOM 0 H LEU A 25 0.737 -6.952 -6.739 1.00 12.15 H new ATOM 0 HA LEU A 25 2.846 -8.555 -5.478 1.00 33.43 H new ATOM 0 HB2 LEU A 25 2.745 -7.854 -8.284 1.00 53.01 H new ATOM 0 HB3 LEU A 25 4.058 -6.983 -7.515 1.00 53.01 H new ATOM 0 HG LEU A 25 4.748 -9.300 -6.555 1.00 53.43 H new ATOM 0 HD11 LEU A 25 4.127 -11.195 -8.002 1.00 33.01 H new ATOM 0 HD12 LEU A 25 2.710 -10.497 -7.183 1.00 33.01 H new ATOM 0 HD13 LEU A 25 3.012 -10.138 -8.900 1.00 33.01 H new ATOM 0 HD21 LEU A 25 6.055 -9.773 -8.591 1.00 51.44 H new ATOM 0 HD22 LEU A 25 5.014 -8.660 -9.512 1.00 51.44 H new ATOM 0 HD23 LEU A 25 6.045 -8.036 -8.202 1.00 51.44 H new ATOM 255 N GLU A 26 4.033 -6.386 -4.747 1.00 72.02 N ATOM 256 CA GLU A 26 4.450 -5.185 -4.033 1.00 51.25 C ATOM 257 C GLU A 26 5.609 -4.500 -4.752 1.00 23.23 C ATOM 258 O GLU A 26 6.740 -4.988 -4.735 1.00 14.24 O ATOM 259 CB GLU A 26 4.857 -5.532 -2.600 1.00 42.10 C ATOM 260 CG GLU A 26 4.822 -4.344 -1.653 1.00 21.32 C ATOM 261 CD GLU A 26 6.067 -4.247 -0.793 1.00 20.35 C ATOM 262 OE1 GLU A 26 7.168 -4.079 -1.358 1.00 13.15 O ATOM 263 OE2 GLU A 26 5.940 -4.340 0.446 1.00 12.45 O ATOM 0 H GLU A 26 4.672 -7.176 -4.653 1.00 72.02 H new ATOM 0 HA GLU A 26 3.605 -4.497 -4.006 1.00 51.25 H new ATOM 0 HB2 GLU A 26 4.193 -6.308 -2.220 1.00 42.10 H new ATOM 0 HB3 GLU A 26 5.864 -5.950 -2.608 1.00 42.10 H new ATOM 0 HG2 GLU A 26 4.712 -3.426 -2.231 1.00 21.32 H new ATOM 0 HG3 GLU A 26 3.946 -4.423 -1.010 1.00 21.32 H new ATOM 270 N VAL A 27 5.320 -3.367 -5.383 1.00 41.12 N ATOM 271 CA VAL A 27 6.337 -2.614 -6.107 1.00 64.13 C ATOM 272 C VAL A 27 6.142 -1.113 -5.928 1.00 10.13 C ATOM 273 O VAL A 27 5.047 -0.653 -5.604 1.00 61.44 O ATOM 274 CB VAL A 27 6.318 -2.947 -7.611 1.00 72.00 C ATOM 275 CG1 VAL A 27 5.088 -2.346 -8.275 1.00 63.22 C ATOM 276 CG2 VAL A 27 7.591 -2.454 -8.282 1.00 71.00 C ATOM 0 H VAL A 27 4.389 -2.950 -5.408 1.00 41.12 H new ATOM 0 HA VAL A 27 7.301 -2.904 -5.690 1.00 64.13 H new ATOM 0 HB VAL A 27 6.271 -4.030 -7.725 1.00 72.00 H new ATOM 0 HG11 VAL A 27 5.091 -2.591 -9.337 1.00 63.22 H new ATOM 0 HG12 VAL A 27 4.189 -2.752 -7.811 1.00 63.22 H new ATOM 0 HG13 VAL A 27 5.101 -1.263 -8.153 1.00 63.22 H new ATOM 0 HG21 VAL A 27 7.560 -2.698 -9.344 1.00 71.00 H new ATOM 0 HG22 VAL A 27 7.672 -1.374 -8.160 1.00 71.00 H new ATOM 0 HG23 VAL A 27 8.454 -2.937 -7.824 1.00 71.00 H new ATOM 286 N ALA A 28 7.211 -0.353 -6.140 1.00 44.13 N ATOM 287 CA ALA A 28 7.157 1.097 -6.004 1.00 41.35 C ATOM 288 C ALA A 28 7.311 1.782 -7.359 1.00 31.45 C ATOM 289 O ALA A 28 8.360 1.715 -7.999 1.00 42.31 O ATOM 290 CB ALA A 28 8.234 1.578 -5.043 1.00 33.02 C ATOM 0 H ALA A 28 8.125 -0.718 -6.407 1.00 44.13 H new ATOM 0 HA ALA A 28 6.180 1.363 -5.600 1.00 41.35 H new ATOM 0 HB1 ALA A 28 8.182 2.663 -4.951 1.00 33.02 H new ATOM 0 HB2 ALA A 28 8.078 1.123 -4.065 1.00 33.02 H new ATOM 0 HB3 ALA A 28 9.215 1.293 -5.424 1.00 33.02 H new ATOM 296 N PRO A 29 6.241 2.455 -7.807 1.00 0.00 N ATOM 297 CA PRO A 29 6.233 3.164 -9.090 1.00 12.42 C ATOM 298 C PRO A 29 7.127 4.400 -9.075 1.00 35.13 C ATOM 299 O PRO A 29 7.422 4.976 -10.121 1.00 4.04 O ATOM 300 CB PRO A 29 4.766 3.567 -9.263 1.00 3.41 C ATOM 301 CG PRO A 29 4.225 3.633 -7.876 1.00 62.24 C ATOM 302 CD PRO A 29 4.957 2.576 -7.096 1.00 2.20 C ATOM 0 HA PRO A 29 6.618 2.545 -9.900 1.00 12.42 H new ATOM 0 HB2 PRO A 29 4.677 4.528 -9.769 1.00 3.41 H new ATOM 0 HB3 PRO A 29 4.224 2.838 -9.865 1.00 3.41 H new ATOM 0 HG2 PRO A 29 4.385 4.620 -7.441 1.00 62.24 H new ATOM 0 HG3 PRO A 29 3.150 3.451 -7.867 1.00 62.24 H new ATOM 0 HD2 PRO A 29 5.100 2.870 -6.056 1.00 2.20 H new ATOM 0 HD3 PRO A 29 4.412 1.632 -7.088 1.00 2.20 H new ATOM 310 N ASN A 30 7.554 4.801 -7.882 1.00 12.02 N ATOM 311 CA ASN A 30 8.414 5.969 -7.731 1.00 62.12 C ATOM 312 C ASN A 30 9.883 5.586 -7.888 1.00 11.33 C ATOM 313 O ASN A 30 10.776 6.370 -7.568 1.00 23.21 O ATOM 314 CB ASN A 30 8.188 6.622 -6.366 1.00 65.10 C ATOM 315 CG ASN A 30 8.244 5.620 -5.229 1.00 64.43 C ATOM 316 OD1 ASN A 30 9.284 5.011 -4.974 1.00 12.53 O ATOM 317 ND2 ASN A 30 7.123 5.443 -4.541 1.00 34.11 N ATOM 0 H ASN A 30 7.319 4.334 -7.006 1.00 12.02 H new ATOM 0 HA ASN A 30 8.157 6.683 -8.514 1.00 62.12 H new ATOM 0 HB2 ASN A 30 8.942 7.392 -6.205 1.00 65.10 H new ATOM 0 HB3 ASN A 30 7.218 7.120 -6.361 1.00 65.10 H new ATOM 0 HD21 ASN A 30 7.100 4.781 -3.766 1.00 34.11 H new ATOM 0 HD22 ASN A 30 6.285 5.969 -4.788 1.00 34.11 H new ATOM 324 N ALA A 31 10.124 4.377 -8.383 1.00 20.35 N ATOM 325 CA ALA A 31 11.483 3.891 -8.584 1.00 64.02 C ATOM 326 C ALA A 31 11.851 3.886 -10.064 1.00 74.13 C ATOM 327 O ALA A 31 12.567 4.767 -10.541 1.00 13.44 O ATOM 328 CB ALA A 31 11.639 2.497 -7.995 1.00 74.32 C ATOM 0 H ALA A 31 9.395 3.716 -8.652 1.00 20.35 H new ATOM 0 HA ALA A 31 12.164 4.569 -8.069 1.00 64.02 H new ATOM 0 HB1 ALA A 31 12.659 2.147 -8.153 1.00 74.32 H new ATOM 0 HB2 ALA A 31 11.427 2.528 -6.926 1.00 74.32 H new ATOM 0 HB3 ALA A 31 10.942 1.816 -8.483 1.00 74.32 H new ATOM 334 N THR A 32 11.356 2.887 -10.789 1.00 24.54 N ATOM 335 CA THR A 32 11.634 2.766 -12.214 1.00 60.42 C ATOM 336 C THR A 32 10.566 1.933 -12.914 1.00 14.42 C ATOM 337 O THR A 32 10.055 0.963 -12.354 1.00 70.12 O ATOM 338 CB THR A 32 13.013 2.127 -12.466 1.00 32.42 C ATOM 339 OG1 THR A 32 13.767 2.094 -11.249 1.00 42.41 O ATOM 340 CG2 THR A 32 13.783 2.900 -13.525 1.00 54.34 C ATOM 0 H THR A 32 10.760 2.150 -10.412 1.00 24.54 H new ATOM 0 HA THR A 32 11.630 3.776 -12.623 1.00 60.42 H new ATOM 0 HB THR A 32 12.857 1.109 -12.824 1.00 32.42 H new ATOM 0 HG1 THR A 32 14.642 1.685 -11.417 1.00 42.41 H new ATOM 0 HG21 THR A 32 14.753 2.430 -13.685 1.00 54.34 H new ATOM 0 HG22 THR A 32 13.220 2.898 -14.458 1.00 54.34 H new ATOM 0 HG23 THR A 32 13.929 3.927 -13.192 1.00 54.34 H new ATOM 348 N VAL A 33 10.232 2.319 -14.141 1.00 74.44 N ATOM 349 CA VAL A 33 9.224 1.606 -14.919 1.00 5.33 C ATOM 350 C VAL A 33 9.719 0.221 -15.321 1.00 13.33 C ATOM 351 O VAL A 33 9.009 -0.772 -15.167 1.00 12.42 O ATOM 352 CB VAL A 33 8.837 2.389 -16.187 1.00 42.43 C ATOM 353 CG1 VAL A 33 7.649 1.736 -16.877 1.00 23.33 C ATOM 354 CG2 VAL A 33 8.534 3.840 -15.845 1.00 54.24 C ATOM 0 H VAL A 33 10.644 3.121 -14.618 1.00 74.44 H new ATOM 0 HA VAL A 33 8.345 1.504 -14.282 1.00 5.33 H new ATOM 0 HB VAL A 33 9.681 2.370 -16.876 1.00 42.43 H new ATOM 0 HG11 VAL A 33 7.390 2.304 -17.771 1.00 23.33 H new ATOM 0 HG12 VAL A 33 7.907 0.715 -17.158 1.00 23.33 H new ATOM 0 HG13 VAL A 33 6.797 1.721 -16.198 1.00 23.33 H new ATOM 0 HG21 VAL A 33 8.262 4.379 -16.753 1.00 54.24 H new ATOM 0 HG22 VAL A 33 7.706 3.882 -15.137 1.00 54.24 H new ATOM 0 HG23 VAL A 33 9.416 4.301 -15.400 1.00 54.24 H new ATOM 364 N GLY A 34 10.943 0.162 -15.837 1.00 54.31 N ATOM 365 CA GLY A 34 11.512 -1.106 -16.253 1.00 72.12 C ATOM 366 C GLY A 34 11.690 -2.069 -15.096 1.00 73.23 C ATOM 367 O GLY A 34 11.569 -3.282 -15.265 1.00 60.14 O ATOM 0 H GLY A 34 11.550 0.970 -15.974 1.00 54.31 H new ATOM 0 HA2 GLY A 34 10.867 -1.561 -17.005 1.00 72.12 H new ATOM 0 HA3 GLY A 34 12.478 -0.929 -16.727 1.00 72.12 H new ATOM 371 N ALA A 35 11.979 -1.528 -13.917 1.00 62.33 N ATOM 372 CA ALA A 35 12.174 -2.348 -12.728 1.00 31.11 C ATOM 373 C ALA A 35 10.878 -3.041 -12.321 1.00 21.32 C ATOM 374 O ALA A 35 10.870 -4.233 -12.013 1.00 60.21 O ATOM 375 CB ALA A 35 12.703 -1.498 -11.582 1.00 33.20 C ATOM 0 H ALA A 35 12.083 -0.526 -13.760 1.00 62.33 H new ATOM 0 HA ALA A 35 12.909 -3.118 -12.964 1.00 31.11 H new ATOM 0 HB1 ALA A 35 12.844 -2.123 -10.700 1.00 33.20 H new ATOM 0 HB2 ALA A 35 13.656 -1.054 -11.868 1.00 33.20 H new ATOM 0 HB3 ALA A 35 11.988 -0.707 -11.355 1.00 33.20 H new ATOM 381 N VAL A 36 9.784 -2.287 -12.320 1.00 54.15 N ATOM 382 CA VAL A 36 8.481 -2.829 -11.951 1.00 65.14 C ATOM 383 C VAL A 36 7.995 -3.840 -12.983 1.00 74.14 C ATOM 384 O VAL A 36 7.525 -4.923 -12.633 1.00 41.11 O ATOM 385 CB VAL A 36 7.430 -1.713 -11.806 1.00 34.41 C ATOM 386 CG1 VAL A 36 6.112 -2.284 -11.303 1.00 41.33 C ATOM 387 CG2 VAL A 36 7.937 -0.622 -10.876 1.00 12.40 C ATOM 0 H VAL A 36 9.774 -1.298 -12.571 1.00 54.15 H new ATOM 0 HA VAL A 36 8.605 -3.327 -10.989 1.00 65.14 H new ATOM 0 HB VAL A 36 7.257 -1.271 -12.787 1.00 34.41 H new ATOM 0 HG11 VAL A 36 5.381 -1.481 -11.206 1.00 41.33 H new ATOM 0 HG12 VAL A 36 5.744 -3.027 -12.010 1.00 41.33 H new ATOM 0 HG13 VAL A 36 6.266 -2.753 -10.331 1.00 41.33 H new ATOM 0 HG21 VAL A 36 7.182 0.159 -10.785 1.00 12.40 H new ATOM 0 HG22 VAL A 36 8.140 -1.047 -9.893 1.00 12.40 H new ATOM 0 HG23 VAL A 36 8.854 -0.194 -11.282 1.00 12.40 H new ATOM 397 N ARG A 37 8.110 -3.479 -14.257 1.00 63.43 N ATOM 398 CA ARG A 37 7.681 -4.355 -15.341 1.00 41.12 C ATOM 399 C ARG A 37 8.470 -5.661 -15.330 1.00 31.12 C ATOM 400 O ARG A 37 7.914 -6.737 -15.554 1.00 24.25 O ATOM 401 CB ARG A 37 7.854 -3.654 -16.690 1.00 71.21 C ATOM 402 CG ARG A 37 7.347 -4.469 -17.869 1.00 14.31 C ATOM 403 CD ARG A 37 7.141 -3.599 -19.099 1.00 71.24 C ATOM 404 NE ARG A 37 8.283 -2.723 -19.348 1.00 33.05 N ATOM 405 CZ ARG A 37 9.462 -3.157 -19.778 1.00 1.12 C ATOM 406 NH1 ARG A 37 9.654 -4.449 -20.007 1.00 13.32 N ATOM 407 NH2 ARG A 37 10.453 -2.298 -19.980 1.00 51.24 N ATOM 0 H ARG A 37 8.496 -2.586 -14.564 1.00 63.43 H new ATOM 0 HA ARG A 37 6.626 -4.587 -15.191 1.00 41.12 H new ATOM 0 HB2 ARG A 37 7.327 -2.700 -16.665 1.00 71.21 H new ATOM 0 HB3 ARG A 37 8.910 -3.430 -16.841 1.00 71.21 H new ATOM 0 HG2 ARG A 37 8.059 -5.262 -18.098 1.00 14.31 H new ATOM 0 HG3 ARG A 37 6.407 -4.952 -17.602 1.00 14.31 H new ATOM 0 HD2 ARG A 37 6.975 -4.235 -19.969 1.00 71.24 H new ATOM 0 HD3 ARG A 37 6.243 -2.995 -18.970 1.00 71.24 H new ATOM 0 HE ARG A 37 8.169 -1.723 -19.183 1.00 33.05 H new ATOM 0 HH11 ARG A 37 8.895 -5.113 -19.853 1.00 13.32 H new ATOM 0 HH12 ARG A 37 10.561 -4.779 -20.337 1.00 13.32 H new ATOM 0 HH21 ARG A 37 10.309 -1.303 -19.805 1.00 51.24 H new ATOM 0 HH22 ARG A 37 11.358 -2.632 -20.310 1.00 51.24 H new ATOM 421 N THR A 38 9.769 -5.559 -15.068 1.00 25.51 N ATOM 422 CA THR A 38 10.635 -6.731 -15.029 1.00 21.30 C ATOM 423 C THR A 38 10.321 -7.607 -13.822 1.00 34.33 C ATOM 424 O THR A 38 10.346 -8.835 -13.909 1.00 30.22 O ATOM 425 CB THR A 38 12.122 -6.330 -14.985 1.00 33.34 C ATOM 426 OG1 THR A 38 12.458 -5.568 -16.149 1.00 65.11 O ATOM 427 CG2 THR A 38 13.012 -7.561 -14.903 1.00 30.10 C ATOM 0 H THR A 38 10.245 -4.677 -14.880 1.00 25.51 H new ATOM 0 HA THR A 38 10.445 -7.294 -15.943 1.00 21.30 H new ATOM 0 HB THR A 38 12.286 -5.723 -14.095 1.00 33.34 H new ATOM 0 HG1 THR A 38 12.207 -4.631 -16.010 1.00 65.11 H new ATOM 0 HG21 THR A 38 14.057 -7.253 -14.873 1.00 30.10 H new ATOM 0 HG22 THR A 38 12.773 -8.123 -14.000 1.00 30.10 H new ATOM 0 HG23 THR A 38 12.844 -8.190 -15.777 1.00 30.10 H new ATOM 435 N LYS A 39 10.023 -6.969 -12.695 1.00 23.11 N ATOM 436 CA LYS A 39 9.701 -7.690 -11.469 1.00 4.31 C ATOM 437 C LYS A 39 8.425 -8.508 -11.638 1.00 23.10 C ATOM 438 O LYS A 39 8.364 -9.671 -11.239 1.00 22.11 O ATOM 439 CB LYS A 39 9.541 -6.710 -10.304 1.00 61.12 C ATOM 440 CG LYS A 39 9.697 -7.357 -8.939 1.00 70.41 C ATOM 441 CD LYS A 39 10.874 -6.773 -8.176 1.00 61.41 C ATOM 442 CE LYS A 39 12.196 -7.334 -8.677 1.00 44.55 C ATOM 443 NZ LYS A 39 13.263 -7.249 -7.642 1.00 31.24 N ATOM 0 H LYS A 39 9.998 -5.953 -12.605 1.00 23.11 H new ATOM 0 HA LYS A 39 10.523 -8.372 -11.252 1.00 4.31 H new ATOM 0 HB2 LYS A 39 10.279 -5.914 -10.406 1.00 61.12 H new ATOM 0 HB3 LYS A 39 8.558 -6.243 -10.365 1.00 61.12 H new ATOM 0 HG2 LYS A 39 8.783 -7.217 -8.362 1.00 70.41 H new ATOM 0 HG3 LYS A 39 9.837 -8.431 -9.058 1.00 70.41 H new ATOM 0 HD2 LYS A 39 10.875 -5.688 -8.281 1.00 61.41 H new ATOM 0 HD3 LYS A 39 10.764 -6.991 -7.114 1.00 61.41 H new ATOM 0 HE2 LYS A 39 12.060 -8.374 -8.974 1.00 44.55 H new ATOM 0 HE3 LYS A 39 12.509 -6.787 -9.567 1.00 44.55 H new ATOM 0 HZ1 LYS A 39 14.148 -7.641 -8.023 1.00 31.24 H new ATOM 0 HZ2 LYS A 39 13.411 -6.254 -7.377 1.00 31.24 H new ATOM 0 HZ3 LYS A 39 12.976 -7.792 -6.803 1.00 31.24 H new ATOM 457 N VAL A 40 7.408 -7.893 -12.233 1.00 70.54 N ATOM 458 CA VAL A 40 6.134 -8.566 -12.458 1.00 30.13 C ATOM 459 C VAL A 40 6.273 -9.676 -13.494 1.00 3.23 C ATOM 460 O VAL A 40 5.778 -10.787 -13.299 1.00 2.41 O ATOM 461 CB VAL A 40 5.051 -7.576 -12.925 1.00 10.51 C ATOM 462 CG1 VAL A 40 3.739 -8.301 -13.184 1.00 24.11 C ATOM 463 CG2 VAL A 40 4.864 -6.468 -11.899 1.00 33.43 C ATOM 0 H VAL A 40 7.441 -6.930 -12.568 1.00 70.54 H new ATOM 0 HA VAL A 40 5.833 -8.999 -11.504 1.00 30.13 H new ATOM 0 HB VAL A 40 5.378 -7.122 -13.861 1.00 10.51 H new ATOM 0 HG11 VAL A 40 2.986 -7.585 -13.513 1.00 24.11 H new ATOM 0 HG12 VAL A 40 3.886 -9.054 -13.958 1.00 24.11 H new ATOM 0 HG13 VAL A 40 3.403 -8.784 -12.267 1.00 24.11 H new ATOM 0 HG21 VAL A 40 4.095 -5.777 -12.245 1.00 33.43 H new ATOM 0 HG22 VAL A 40 4.560 -6.902 -10.946 1.00 33.43 H new ATOM 0 HG23 VAL A 40 5.803 -5.930 -11.769 1.00 33.43 H new ATOM 473 N CYS A 41 6.950 -9.368 -14.594 1.00 61.14 N ATOM 474 CA CYS A 41 7.155 -10.340 -15.663 1.00 11.22 C ATOM 475 C CYS A 41 7.865 -11.583 -15.138 1.00 23.30 C ATOM 476 O CYS A 41 7.473 -12.709 -15.443 1.00 21.35 O ATOM 477 CB CYS A 41 7.966 -9.716 -16.799 1.00 51.14 C ATOM 478 SG CYS A 41 6.960 -8.916 -18.071 1.00 40.41 S ATOM 0 H CYS A 41 7.366 -8.454 -14.770 1.00 61.14 H new ATOM 0 HA CYS A 41 6.178 -10.636 -16.044 1.00 11.22 H new ATOM 0 HB2 CYS A 41 8.653 -8.982 -16.379 1.00 51.14 H new ATOM 0 HB3 CYS A 41 8.574 -10.491 -17.266 1.00 51.14 H new ATOM 0 HG CYS A 41 6.797 -7.662 -17.770 1.00 40.41 H new ATOM 484 N ALA A 42 8.913 -11.371 -14.349 1.00 3.11 N ATOM 485 CA ALA A 42 9.678 -12.474 -13.782 1.00 24.25 C ATOM 486 C ALA A 42 8.819 -13.312 -12.842 1.00 34.34 C ATOM 487 O ALA A 42 8.870 -14.542 -12.869 1.00 12.41 O ATOM 488 CB ALA A 42 10.903 -11.946 -13.049 1.00 41.24 C ATOM 0 H ALA A 42 9.252 -10.445 -14.088 1.00 3.11 H new ATOM 0 HA ALA A 42 10.006 -13.114 -14.601 1.00 24.25 H new ATOM 0 HB1 ALA A 42 11.465 -12.781 -12.631 1.00 41.24 H new ATOM 0 HB2 ALA A 42 11.535 -11.396 -13.746 1.00 41.24 H new ATOM 0 HB3 ALA A 42 10.587 -11.282 -12.244 1.00 41.24 H new ATOM 494 N MET A 43 8.030 -12.639 -12.010 1.00 73.15 N ATOM 495 CA MET A 43 7.158 -13.323 -11.062 1.00 62.21 C ATOM 496 C MET A 43 6.179 -14.241 -11.788 1.00 1.33 C ATOM 497 O MET A 43 5.745 -15.256 -11.244 1.00 74.30 O ATOM 498 CB MET A 43 6.390 -12.305 -10.216 1.00 65.35 C ATOM 499 CG MET A 43 6.306 -12.678 -8.745 1.00 42.12 C ATOM 500 SD MET A 43 4.992 -13.864 -8.403 1.00 53.40 S ATOM 501 CE MET A 43 5.342 -14.273 -6.695 1.00 34.51 C ATOM 0 H MET A 43 7.977 -11.621 -11.973 1.00 73.15 H new ATOM 0 HA MET A 43 7.781 -13.932 -10.407 1.00 62.21 H new ATOM 0 HB2 MET A 43 6.871 -11.331 -10.309 1.00 65.35 H new ATOM 0 HB3 MET A 43 5.381 -12.201 -10.614 1.00 65.35 H new ATOM 0 HG2 MET A 43 7.260 -13.097 -8.425 1.00 42.12 H new ATOM 0 HG3 MET A 43 6.140 -11.777 -8.155 1.00 42.12 H new ATOM 0 HE1 MET A 43 4.612 -14.999 -6.338 1.00 34.51 H new ATOM 0 HE2 MET A 43 6.343 -14.698 -6.620 1.00 34.51 H new ATOM 0 HE3 MET A 43 5.284 -13.371 -6.086 1.00 34.51 H new ATOM 511 N LYS A 44 5.835 -13.877 -13.018 1.00 41.43 N ATOM 512 CA LYS A 44 4.908 -14.667 -13.820 1.00 10.15 C ATOM 513 C LYS A 44 5.661 -15.564 -14.796 1.00 63.22 C ATOM 514 O LYS A 44 5.072 -16.436 -15.436 1.00 40.41 O ATOM 515 CB LYS A 44 3.954 -13.749 -14.586 1.00 54.43 C ATOM 516 CG LYS A 44 2.914 -14.497 -15.403 1.00 24.10 C ATOM 517 CD LYS A 44 1.564 -13.801 -15.360 1.00 23.22 C ATOM 518 CE LYS A 44 1.647 -12.389 -15.918 1.00 40.11 C ATOM 519 NZ LYS A 44 0.548 -12.109 -16.883 1.00 42.25 N ATOM 0 H LYS A 44 6.185 -13.039 -13.482 1.00 41.43 H new ATOM 0 HA LYS A 44 4.330 -15.299 -13.145 1.00 10.15 H new ATOM 0 HB2 LYS A 44 3.446 -13.095 -13.878 1.00 54.43 H new ATOM 0 HB3 LYS A 44 4.534 -13.109 -15.251 1.00 54.43 H new ATOM 0 HG2 LYS A 44 3.251 -14.576 -16.437 1.00 24.10 H new ATOM 0 HG3 LYS A 44 2.813 -15.513 -15.022 1.00 24.10 H new ATOM 0 HD2 LYS A 44 0.838 -14.378 -15.933 1.00 23.22 H new ATOM 0 HD3 LYS A 44 1.204 -13.766 -14.332 1.00 23.22 H new ATOM 0 HE2 LYS A 44 1.603 -11.671 -15.099 1.00 40.11 H new ATOM 0 HE3 LYS A 44 2.609 -12.250 -16.412 1.00 40.11 H new ATOM 0 HZ1 LYS A 44 0.950 -11.756 -17.775 1.00 42.25 H new ATOM 0 HZ2 LYS A 44 0.015 -12.983 -17.065 1.00 42.25 H new ATOM 0 HZ3 LYS A 44 -0.090 -11.392 -16.484 1.00 42.25 H new ATOM 533 N LYS A 45 6.968 -15.347 -14.905 1.00 55.24 N ATOM 534 CA LYS A 45 7.803 -16.137 -15.802 1.00 30.24 C ATOM 535 C LYS A 45 7.389 -15.930 -17.255 1.00 44.21 C ATOM 536 O LYS A 45 7.083 -16.887 -17.967 1.00 32.32 O ATOM 537 CB LYS A 45 7.711 -17.622 -15.441 1.00 42.31 C ATOM 538 CG LYS A 45 8.945 -18.419 -15.827 1.00 3.30 C ATOM 539 CD LYS A 45 8.579 -19.676 -16.597 1.00 74.22 C ATOM 540 CE LYS A 45 8.739 -19.478 -18.097 1.00 11.03 C ATOM 541 NZ LYS A 45 9.661 -20.484 -18.694 1.00 15.23 N ATOM 0 H LYS A 45 7.472 -14.630 -14.383 1.00 55.24 H new ATOM 0 HA LYS A 45 8.834 -15.804 -15.686 1.00 30.24 H new ATOM 0 HB2 LYS A 45 7.549 -17.717 -14.367 1.00 42.31 H new ATOM 0 HB3 LYS A 45 6.841 -18.054 -15.935 1.00 42.31 H new ATOM 0 HG2 LYS A 45 9.605 -17.799 -16.434 1.00 3.30 H new ATOM 0 HG3 LYS A 45 9.500 -18.690 -14.929 1.00 3.30 H new ATOM 0 HD2 LYS A 45 9.210 -20.502 -16.269 1.00 74.22 H new ATOM 0 HD3 LYS A 45 7.549 -19.954 -16.374 1.00 74.22 H new ATOM 0 HE2 LYS A 45 7.764 -19.548 -18.579 1.00 11.03 H new ATOM 0 HE3 LYS A 45 9.120 -18.475 -18.292 1.00 11.03 H new ATOM 0 HZ1 LYS A 45 9.744 -20.315 -19.717 1.00 15.23 H new ATOM 0 HZ2 LYS A 45 10.599 -20.400 -18.253 1.00 15.23 H new ATOM 0 HZ3 LYS A 45 9.285 -21.440 -18.530 1.00 15.23 H new ATOM 555 N LEU A 46 7.384 -14.675 -17.691 1.00 4.34 N ATOM 556 CA LEU A 46 7.010 -14.342 -19.061 1.00 0.23 C ATOM 557 C LEU A 46 8.172 -13.685 -19.798 1.00 43.14 C ATOM 558 O LEU A 46 9.104 -13.156 -19.193 1.00 5.33 O ATOM 559 CB LEU A 46 5.796 -13.411 -19.067 1.00 21.13 C ATOM 560 CG LEU A 46 4.431 -14.088 -18.941 1.00 73.03 C ATOM 561 CD1 LEU A 46 3.331 -13.048 -18.792 1.00 60.24 C ATOM 562 CD2 LEU A 46 4.165 -14.979 -20.146 1.00 32.43 C ATOM 0 H LEU A 46 7.635 -13.871 -17.115 1.00 4.34 H new ATOM 0 HA LEU A 46 6.753 -15.267 -19.577 1.00 0.23 H new ATOM 0 HB2 LEU A 46 5.904 -12.701 -18.247 1.00 21.13 H new ATOM 0 HB3 LEU A 46 5.810 -12.835 -19.992 1.00 21.13 H new ATOM 0 HG LEU A 46 4.437 -14.711 -18.047 1.00 73.03 H new ATOM 0 HD11 LEU A 46 2.367 -13.548 -18.704 1.00 60.24 H new ATOM 0 HD12 LEU A 46 3.513 -12.451 -17.898 1.00 60.24 H new ATOM 0 HD13 LEU A 46 3.324 -12.398 -19.667 1.00 60.24 H new ATOM 0 HD21 LEU A 46 3.189 -15.453 -20.040 1.00 32.43 H new ATOM 0 HD22 LEU A 46 4.179 -14.376 -21.054 1.00 32.43 H new ATOM 0 HD23 LEU A 46 4.936 -15.747 -20.208 1.00 32.43 H new ATOM 574 N PRO A 47 8.117 -13.717 -21.138 1.00 52.42 N ATOM 575 CA PRO A 47 9.155 -13.126 -21.988 1.00 25.53 C ATOM 576 C PRO A 47 9.158 -11.603 -21.926 1.00 42.22 C ATOM 577 O PRO A 47 8.232 -10.937 -22.390 1.00 62.10 O ATOM 578 CB PRO A 47 8.779 -13.604 -23.392 1.00 73.23 C ATOM 579 CG PRO A 47 7.312 -13.855 -23.326 1.00 53.13 C ATOM 580 CD PRO A 47 7.035 -14.331 -21.927 1.00 4.41 C ATOM 0 HA PRO A 47 10.156 -13.424 -21.676 1.00 25.53 H new ATOM 0 HB2 PRO A 47 9.019 -12.852 -24.144 1.00 73.23 H new ATOM 0 HB3 PRO A 47 9.324 -14.509 -23.661 1.00 73.23 H new ATOM 0 HG2 PRO A 47 6.751 -12.947 -23.548 1.00 53.13 H new ATOM 0 HG3 PRO A 47 7.011 -14.603 -24.059 1.00 53.13 H new ATOM 0 HD2 PRO A 47 6.053 -14.010 -21.580 1.00 4.41 H new ATOM 0 HD3 PRO A 47 7.057 -15.419 -21.861 1.00 4.41 H new ATOM 588 N PRO A 48 10.223 -11.035 -21.341 1.00 22.43 N ATOM 589 CA PRO A 48 10.372 -9.583 -21.206 1.00 23.32 C ATOM 590 C PRO A 48 10.621 -8.899 -22.546 1.00 25.24 C ATOM 591 O PRO A 48 10.306 -7.722 -22.720 1.00 71.15 O ATOM 592 CB PRO A 48 11.593 -9.435 -20.295 1.00 23.25 C ATOM 593 CG PRO A 48 12.375 -10.686 -20.503 1.00 23.13 C ATOM 594 CD PRO A 48 11.364 -11.768 -20.766 1.00 2.43 C ATOM 0 HA PRO A 48 9.470 -9.115 -20.812 1.00 23.32 H new ATOM 0 HB2 PRO A 48 12.178 -8.554 -20.558 1.00 23.25 H new ATOM 0 HB3 PRO A 48 11.297 -9.322 -19.252 1.00 23.25 H new ATOM 0 HG2 PRO A 48 13.062 -10.582 -21.343 1.00 23.13 H new ATOM 0 HG3 PRO A 48 12.978 -10.920 -19.625 1.00 23.13 H new ATOM 0 HD2 PRO A 48 11.749 -12.519 -21.456 1.00 2.43 H new ATOM 0 HD3 PRO A 48 11.086 -12.290 -19.850 1.00 2.43 H new ATOM 602 N ASP A 49 11.189 -9.644 -23.488 1.00 54.22 N ATOM 603 CA ASP A 49 11.479 -9.109 -24.814 1.00 33.04 C ATOM 604 C ASP A 49 10.206 -8.607 -25.488 1.00 35.23 C ATOM 605 O ASP A 49 10.201 -7.553 -26.125 1.00 32.31 O ATOM 606 CB ASP A 49 12.144 -10.177 -25.683 1.00 42.23 C ATOM 607 CG ASP A 49 13.647 -10.226 -25.491 1.00 42.21 C ATOM 608 OD1 ASP A 49 14.095 -10.742 -24.446 1.00 13.31 O ATOM 609 OD2 ASP A 49 14.376 -9.747 -26.386 1.00 30.53 O ATOM 0 H ASP A 49 11.458 -10.619 -23.359 1.00 54.22 H new ATOM 0 HA ASP A 49 12.163 -8.268 -24.698 1.00 33.04 H new ATOM 0 HB2 ASP A 49 11.718 -11.152 -25.445 1.00 42.23 H new ATOM 0 HB3 ASP A 49 11.921 -9.979 -26.731 1.00 42.23 H new ATOM 614 N THR A 50 9.126 -9.369 -25.344 1.00 32.50 N ATOM 615 CA THR A 50 7.847 -9.004 -25.940 1.00 42.13 C ATOM 616 C THR A 50 6.805 -8.709 -24.868 1.00 74.10 C ATOM 617 O THR A 50 5.832 -9.448 -24.713 1.00 14.12 O ATOM 618 CB THR A 50 7.318 -10.119 -26.862 1.00 40.21 C ATOM 619 OG1 THR A 50 5.981 -9.818 -27.277 1.00 11.01 O ATOM 620 CG2 THR A 50 7.344 -11.465 -26.153 1.00 51.44 C ATOM 0 H THR A 50 9.112 -10.244 -24.819 1.00 32.50 H new ATOM 0 HA THR A 50 8.019 -8.105 -26.532 1.00 42.13 H new ATOM 0 HB THR A 50 7.966 -10.175 -27.737 1.00 40.21 H new ATOM 0 HG1 THR A 50 5.448 -10.641 -27.286 1.00 11.01 H new ATOM 0 HG21 THR A 50 6.966 -12.237 -26.824 1.00 51.44 H new ATOM 0 HG22 THR A 50 8.367 -11.704 -25.864 1.00 51.44 H new ATOM 0 HG23 THR A 50 6.717 -11.419 -25.262 1.00 51.44 H new ATOM 628 N THR A 51 7.013 -7.624 -24.129 1.00 52.30 N ATOM 629 CA THR A 51 6.091 -7.231 -23.071 1.00 20.34 C ATOM 630 C THR A 51 5.927 -5.717 -23.018 1.00 1.32 C ATOM 631 O THR A 51 6.897 -4.973 -23.161 1.00 42.45 O ATOM 632 CB THR A 51 6.569 -7.733 -21.695 1.00 1.22 C ATOM 633 OG1 THR A 51 5.508 -7.627 -20.739 1.00 70.21 O ATOM 634 CG2 THR A 51 7.772 -6.934 -21.216 1.00 15.25 C ATOM 0 H THR A 51 7.813 -7.001 -24.244 1.00 52.30 H new ATOM 0 HA THR A 51 5.130 -7.689 -23.303 1.00 20.34 H new ATOM 0 HB THR A 51 6.863 -8.778 -21.796 1.00 1.22 H new ATOM 0 HG1 THR A 51 5.807 -7.985 -19.877 1.00 70.21 H new ATOM 0 HG21 THR A 51 8.092 -7.306 -20.243 1.00 15.25 H new ATOM 0 HG22 THR A 51 8.588 -7.040 -21.931 1.00 15.25 H new ATOM 0 HG23 THR A 51 7.499 -5.882 -21.130 1.00 15.25 H new ATOM 642 N ARG A 52 4.694 -5.267 -22.810 1.00 50.42 N ATOM 643 CA ARG A 52 4.403 -3.840 -22.739 1.00 5.31 C ATOM 644 C ARG A 52 3.449 -3.536 -21.588 1.00 32.01 C ATOM 645 O ARG A 52 2.451 -4.232 -21.395 1.00 54.50 O ATOM 646 CB ARG A 52 3.800 -3.354 -24.058 1.00 12.11 C ATOM 647 CG ARG A 52 4.571 -3.811 -25.285 1.00 75.45 C ATOM 648 CD ARG A 52 5.930 -3.136 -25.373 1.00 24.50 C ATOM 649 NE ARG A 52 6.012 -2.215 -26.503 1.00 3.43 N ATOM 650 CZ ARG A 52 6.166 -2.608 -27.762 1.00 53.43 C ATOM 651 NH1 ARG A 52 6.253 -3.899 -28.051 1.00 41.55 N ATOM 652 NH2 ARG A 52 6.232 -1.708 -28.736 1.00 34.32 N ATOM 0 H ARG A 52 3.880 -5.870 -22.688 1.00 50.42 H new ATOM 0 HA ARG A 52 5.340 -3.313 -22.560 1.00 5.31 H new ATOM 0 HB2 ARG A 52 2.773 -3.711 -24.131 1.00 12.11 H new ATOM 0 HB3 ARG A 52 3.759 -2.265 -24.050 1.00 12.11 H new ATOM 0 HG2 ARG A 52 4.702 -4.893 -25.251 1.00 75.45 H new ATOM 0 HG3 ARG A 52 3.994 -3.588 -26.182 1.00 75.45 H new ATOM 0 HD2 ARG A 52 6.126 -2.593 -24.448 1.00 24.50 H new ATOM 0 HD3 ARG A 52 6.706 -3.895 -25.467 1.00 24.50 H new ATOM 0 HE ARG A 52 5.947 -1.215 -26.315 1.00 3.43 H new ATOM 0 HH11 ARG A 52 6.202 -4.593 -27.305 1.00 41.55 H new ATOM 0 HH12 ARG A 52 6.371 -4.198 -29.019 1.00 41.55 H new ATOM 0 HH21 ARG A 52 6.164 -0.714 -28.517 1.00 34.32 H new ATOM 0 HH22 ARG A 52 6.350 -2.011 -29.703 1.00 34.32 H new ATOM 666 N LEU A 53 3.762 -2.494 -20.826 1.00 21.23 N ATOM 667 CA LEU A 53 2.933 -2.098 -19.693 1.00 33.12 C ATOM 668 C LEU A 53 2.227 -0.775 -19.971 1.00 75.01 C ATOM 669 O LEU A 53 2.820 0.155 -20.518 1.00 53.41 O ATOM 670 CB LEU A 53 3.785 -1.978 -18.428 1.00 63.05 C ATOM 671 CG LEU A 53 3.213 -1.102 -17.313 1.00 72.34 C ATOM 672 CD1 LEU A 53 1.873 -1.646 -16.842 1.00 61.22 C ATOM 673 CD2 LEU A 53 4.192 -1.010 -16.152 1.00 35.32 C ATOM 0 H LEU A 53 4.584 -1.908 -20.972 1.00 21.23 H new ATOM 0 HA LEU A 53 2.177 -2.868 -19.542 1.00 33.12 H new ATOM 0 HB2 LEU A 53 3.949 -2.979 -18.028 1.00 63.05 H new ATOM 0 HB3 LEU A 53 4.761 -1.583 -18.708 1.00 63.05 H new ATOM 0 HG LEU A 53 3.056 -0.099 -17.709 1.00 72.34 H new ATOM 0 HD11 LEU A 53 1.481 -1.010 -16.048 1.00 61.22 H new ATOM 0 HD12 LEU A 53 1.172 -1.659 -17.677 1.00 61.22 H new ATOM 0 HD13 LEU A 53 2.005 -2.660 -16.463 1.00 61.22 H new ATOM 0 HD21 LEU A 53 3.768 -0.383 -15.368 1.00 35.32 H new ATOM 0 HD22 LEU A 53 4.382 -2.008 -15.756 1.00 35.32 H new ATOM 0 HD23 LEU A 53 5.128 -0.574 -16.499 1.00 35.32 H new ATOM 685 N THR A 54 0.955 -0.697 -19.589 1.00 45.42 N ATOM 686 CA THR A 54 0.168 0.512 -19.796 1.00 44.44 C ATOM 687 C THR A 54 -0.479 0.976 -18.497 1.00 10.43 C ATOM 688 O THR A 54 -1.227 0.231 -17.864 1.00 21.14 O ATOM 689 CB THR A 54 -0.930 0.293 -20.854 1.00 42.40 C ATOM 690 OG1 THR A 54 -1.263 -1.097 -20.934 1.00 11.05 O ATOM 691 CG2 THR A 54 -0.474 0.790 -22.218 1.00 33.31 C ATOM 0 H THR A 54 0.449 -1.457 -19.135 1.00 45.42 H new ATOM 0 HA THR A 54 0.856 1.280 -20.150 1.00 44.44 H new ATOM 0 HB THR A 54 -1.811 0.860 -20.554 1.00 42.40 H new ATOM 0 HG1 THR A 54 -1.963 -1.227 -21.608 1.00 11.05 H new ATOM 0 HG21 THR A 54 -1.266 0.625 -22.949 1.00 33.31 H new ATOM 0 HG22 THR A 54 -0.249 1.855 -22.161 1.00 33.31 H new ATOM 0 HG23 THR A 54 0.420 0.247 -22.523 1.00 33.31 H new ATOM 699 N TYR A 55 -0.188 2.212 -18.104 1.00 63.43 N ATOM 700 CA TYR A 55 -0.741 2.774 -16.878 1.00 44.52 C ATOM 701 C TYR A 55 -1.552 4.032 -17.174 1.00 34.03 C ATOM 702 O TYR A 55 -1.072 4.957 -17.829 1.00 65.41 O ATOM 703 CB TYR A 55 0.381 3.099 -15.890 1.00 31.41 C ATOM 704 CG TYR A 55 -0.081 3.891 -14.688 1.00 52.43 C ATOM 705 CD1 TYR A 55 -1.143 3.451 -13.908 1.00 11.14 C ATOM 706 CD2 TYR A 55 0.543 5.081 -14.334 1.00 51.11 C ATOM 707 CE1 TYR A 55 -1.569 4.172 -12.809 1.00 54.41 C ATOM 708 CE2 TYR A 55 0.124 5.808 -13.237 1.00 3.14 C ATOM 709 CZ TYR A 55 -0.932 5.350 -12.477 1.00 72.15 C ATOM 710 OH TYR A 55 -1.353 6.072 -11.384 1.00 71.03 O ATOM 0 H TYR A 55 0.428 2.843 -18.617 1.00 63.43 H new ATOM 0 HA TYR A 55 -1.404 2.031 -16.434 1.00 44.52 H new ATOM 0 HB2 TYR A 55 0.834 2.168 -15.549 1.00 31.41 H new ATOM 0 HB3 TYR A 55 1.158 3.661 -16.408 1.00 31.41 H new ATOM 0 HD1 TYR A 55 -1.644 2.530 -14.165 1.00 11.14 H new ATOM 0 HD2 TYR A 55 1.370 5.444 -14.927 1.00 51.11 H new ATOM 0 HE1 TYR A 55 -2.396 3.815 -12.213 1.00 54.41 H new ATOM 0 HE2 TYR A 55 0.621 6.731 -12.976 1.00 3.14 H new ATOM 0 HH TYR A 55 -1.918 5.507 -10.816 1.00 71.03 H new ATOM 720 N LYS A 56 -2.788 4.059 -16.685 1.00 5.34 N ATOM 721 CA LYS A 56 -3.668 5.202 -16.893 1.00 13.53 C ATOM 722 C LYS A 56 -3.823 5.507 -18.379 1.00 62.34 C ATOM 723 O LYS A 56 -3.965 6.663 -18.775 1.00 31.12 O ATOM 724 CB LYS A 56 -3.122 6.432 -16.164 1.00 15.43 C ATOM 725 CG LYS A 56 -4.167 7.163 -15.337 1.00 23.51 C ATOM 726 CD LYS A 56 -5.063 8.026 -16.208 1.00 13.52 C ATOM 727 CE LYS A 56 -4.334 9.267 -16.700 1.00 13.53 C ATOM 728 NZ LYS A 56 -5.236 10.175 -17.462 1.00 61.32 N ATOM 0 H LYS A 56 -3.202 3.302 -16.142 1.00 5.34 H new ATOM 0 HA LYS A 56 -4.648 4.952 -16.487 1.00 13.53 H new ATOM 0 HB2 LYS A 56 -2.305 6.124 -15.512 1.00 15.43 H new ATOM 0 HB3 LYS A 56 -2.703 7.122 -16.897 1.00 15.43 H new ATOM 0 HG2 LYS A 56 -4.774 6.439 -14.794 1.00 23.51 H new ATOM 0 HG3 LYS A 56 -3.672 7.786 -14.592 1.00 23.51 H new ATOM 0 HD2 LYS A 56 -5.411 7.445 -17.062 1.00 13.52 H new ATOM 0 HD3 LYS A 56 -5.946 8.322 -15.642 1.00 13.52 H new ATOM 0 HE2 LYS A 56 -3.914 9.803 -15.849 1.00 13.53 H new ATOM 0 HE3 LYS A 56 -3.498 8.970 -17.333 1.00 13.53 H new ATOM 0 HZ1 LYS A 56 -4.702 11.009 -17.780 1.00 61.32 H new ATOM 0 HZ2 LYS A 56 -5.617 9.672 -18.289 1.00 61.32 H new ATOM 0 HZ3 LYS A 56 -6.020 10.479 -16.850 1.00 61.32 H new ATOM 742 N GLY A 57 -3.795 4.460 -19.199 1.00 51.12 N ATOM 743 CA GLY A 57 -3.935 4.637 -20.633 1.00 23.01 C ATOM 744 C GLY A 57 -2.712 5.277 -21.260 1.00 21.21 C ATOM 745 O GLY A 57 -2.725 5.634 -22.438 1.00 12.21 O ATOM 0 H GLY A 57 -3.678 3.493 -18.896 1.00 51.12 H new ATOM 0 HA2 GLY A 57 -4.114 3.668 -21.100 1.00 23.01 H new ATOM 0 HA3 GLY A 57 -4.809 5.255 -20.836 1.00 23.01 H new ATOM 749 N ARG A 58 -1.652 5.423 -20.471 1.00 54.20 N ATOM 750 CA ARG A 58 -0.417 6.027 -20.955 1.00 50.22 C ATOM 751 C ARG A 58 0.741 5.037 -20.874 1.00 73.53 C ATOM 752 O ARG A 58 0.728 4.117 -20.057 1.00 35.22 O ATOM 753 CB ARG A 58 -0.086 7.282 -20.145 1.00 71.01 C ATOM 754 CG ARG A 58 0.682 8.331 -20.933 1.00 20.41 C ATOM 755 CD ARG A 58 -0.211 9.497 -21.325 1.00 41.50 C ATOM 756 NE ARG A 58 0.298 10.207 -22.496 1.00 21.13 N ATOM 757 CZ ARG A 58 -0.173 11.378 -22.908 1.00 13.55 C ATOM 758 NH1 ARG A 58 -1.159 11.969 -22.247 1.00 12.43 N ATOM 759 NH2 ARG A 58 0.342 11.962 -23.982 1.00 60.32 N ATOM 0 H ARG A 58 -1.624 5.131 -19.494 1.00 54.20 H new ATOM 0 HA ARG A 58 -0.563 6.304 -21.999 1.00 50.22 H new ATOM 0 HB2 ARG A 58 -1.013 7.722 -19.778 1.00 71.01 H new ATOM 0 HB3 ARG A 58 0.499 6.996 -19.271 1.00 71.01 H new ATOM 0 HG2 ARG A 58 1.518 8.696 -20.336 1.00 20.41 H new ATOM 0 HG3 ARG A 58 1.104 7.877 -21.830 1.00 20.41 H new ATOM 0 HD2 ARG A 58 -1.216 9.130 -21.532 1.00 41.50 H new ATOM 0 HD3 ARG A 58 -0.291 10.190 -20.487 1.00 41.50 H new ATOM 0 HE ARG A 58 1.057 9.779 -23.026 1.00 21.13 H new ATOM 0 HH11 ARG A 58 -1.557 11.524 -21.420 1.00 12.43 H new ATOM 0 HH12 ARG A 58 -1.519 12.869 -22.565 1.00 12.43 H new ATOM 0 HH21 ARG A 58 1.101 11.511 -24.493 1.00 60.32 H new ATOM 0 HH22 ARG A 58 -0.021 12.862 -24.297 1.00 60.32 H new ATOM 773 N ALA A 59 1.740 5.231 -21.728 1.00 41.24 N ATOM 774 CA ALA A 59 2.906 4.356 -21.753 1.00 13.34 C ATOM 775 C ALA A 59 4.107 5.024 -21.091 1.00 72.44 C ATOM 776 O ALA A 59 4.577 6.068 -21.544 1.00 13.50 O ATOM 777 CB ALA A 59 3.240 3.962 -23.184 1.00 30.14 C ATOM 0 H ALA A 59 1.766 5.987 -22.412 1.00 41.24 H new ATOM 0 HA ALA A 59 2.667 3.456 -21.187 1.00 13.34 H new ATOM 0 HB1 ALA A 59 4.113 3.309 -23.187 1.00 30.14 H new ATOM 0 HB2 ALA A 59 2.392 3.437 -23.624 1.00 30.14 H new ATOM 0 HB3 ALA A 59 3.455 4.857 -23.767 1.00 30.14 H new ATOM 783 N LEU A 60 4.599 4.415 -20.018 1.00 64.13 N ATOM 784 CA LEU A 60 5.746 4.951 -19.294 1.00 25.23 C ATOM 785 C LEU A 60 6.920 3.978 -19.336 1.00 23.31 C ATOM 786 O LEU A 60 6.732 2.764 -19.414 1.00 60.54 O ATOM 787 CB LEU A 60 5.365 5.245 -17.842 1.00 3.22 C ATOM 788 CG LEU A 60 4.178 6.187 -17.637 1.00 43.23 C ATOM 789 CD1 LEU A 60 3.977 6.478 -16.158 1.00 55.33 C ATOM 790 CD2 LEU A 60 4.383 7.480 -18.414 1.00 60.41 C ATOM 0 H LEU A 60 4.222 3.550 -19.630 1.00 64.13 H new ATOM 0 HA LEU A 60 6.049 5.879 -19.779 1.00 25.23 H new ATOM 0 HB2 LEU A 60 5.143 4.300 -17.347 1.00 3.22 H new ATOM 0 HB3 LEU A 60 6.233 5.672 -17.339 1.00 3.22 H new ATOM 0 HG LEU A 60 3.280 5.698 -18.015 1.00 43.23 H new ATOM 0 HD11 LEU A 60 3.128 7.150 -16.031 1.00 55.33 H new ATOM 0 HD12 LEU A 60 3.784 5.546 -15.627 1.00 55.33 H new ATOM 0 HD13 LEU A 60 4.874 6.947 -15.754 1.00 55.33 H new ATOM 0 HD21 LEU A 60 3.529 8.138 -18.257 1.00 60.41 H new ATOM 0 HD22 LEU A 60 5.291 7.974 -18.066 1.00 60.41 H new ATOM 0 HD23 LEU A 60 4.477 7.255 -19.476 1.00 60.41 H new ATOM 802 N LYS A 61 8.133 4.519 -19.281 1.00 73.43 N ATOM 803 CA LYS A 61 9.339 3.699 -19.310 1.00 15.44 C ATOM 804 C LYS A 61 10.518 4.446 -18.694 1.00 71.32 C ATOM 805 O LYS A 61 10.934 4.151 -17.574 1.00 4.34 O ATOM 806 CB LYS A 61 9.671 3.295 -20.748 1.00 25.05 C ATOM 807 CG LYS A 61 9.149 4.268 -21.790 1.00 12.53 C ATOM 808 CD LYS A 61 7.773 3.862 -22.292 1.00 3.52 C ATOM 809 CE LYS A 61 7.828 3.371 -23.730 1.00 54.22 C ATOM 810 NZ LYS A 61 7.372 4.414 -24.690 1.00 42.52 N ATOM 0 H LYS A 61 8.307 5.522 -19.216 1.00 73.43 H new ATOM 0 HA LYS A 61 9.153 2.801 -18.721 1.00 15.44 H new ATOM 0 HB2 LYS A 61 10.753 3.210 -20.852 1.00 25.05 H new ATOM 0 HB3 LYS A 61 9.254 2.307 -20.944 1.00 25.05 H new ATOM 0 HG2 LYS A 61 9.100 5.269 -21.362 1.00 12.53 H new ATOM 0 HG3 LYS A 61 9.844 4.313 -22.628 1.00 12.53 H new ATOM 0 HD2 LYS A 61 7.368 3.077 -21.653 1.00 3.52 H new ATOM 0 HD3 LYS A 61 7.094 4.711 -22.222 1.00 3.52 H new ATOM 0 HE2 LYS A 61 8.848 3.074 -23.974 1.00 54.22 H new ATOM 0 HE3 LYS A 61 7.204 2.483 -23.835 1.00 54.22 H new ATOM 0 HZ1 LYS A 61 7.424 4.040 -25.659 1.00 42.52 H new ATOM 0 HZ2 LYS A 61 6.390 4.679 -24.474 1.00 42.52 H new ATOM 0 HZ3 LYS A 61 7.983 5.252 -24.608 1.00 42.52 H new ATOM 824 N ASP A 62 11.051 5.413 -19.433 1.00 34.31 N ATOM 825 CA ASP A 62 12.181 6.203 -18.958 1.00 54.14 C ATOM 826 C ASP A 62 11.732 7.219 -17.912 1.00 61.22 C ATOM 827 O ASP A 62 12.554 7.911 -17.310 1.00 52.03 O ATOM 828 CB ASP A 62 12.855 6.921 -20.128 1.00 41.32 C ATOM 829 CG ASP A 62 14.258 6.410 -20.391 1.00 32.54 C ATOM 830 OD1 ASP A 62 14.398 5.226 -20.764 1.00 32.21 O ATOM 831 OD2 ASP A 62 15.216 7.193 -20.223 1.00 74.14 O ATOM 0 H ASP A 62 10.719 5.669 -20.363 1.00 34.31 H new ATOM 0 HA ASP A 62 12.898 5.525 -18.495 1.00 54.14 H new ATOM 0 HB2 ASP A 62 12.251 6.793 -21.026 1.00 41.32 H new ATOM 0 HB3 ASP A 62 12.894 7.990 -19.920 1.00 41.32 H new ATOM 836 N THR A 63 10.422 7.304 -17.701 1.00 24.14 N ATOM 837 CA THR A 63 9.864 8.236 -16.729 1.00 41.23 C ATOM 838 C THR A 63 10.419 7.974 -15.334 1.00 3.40 C ATOM 839 O THR A 63 10.361 8.840 -14.461 1.00 71.31 O ATOM 840 CB THR A 63 8.327 8.146 -16.683 1.00 61.12 C ATOM 841 OG1 THR A 63 7.821 7.743 -17.961 1.00 4.12 O ATOM 842 CG2 THR A 63 7.718 9.483 -16.290 1.00 1.23 C ATOM 0 H THR A 63 9.728 6.739 -18.190 1.00 24.14 H new ATOM 0 HA THR A 63 10.153 9.237 -17.049 1.00 41.23 H new ATOM 0 HB THR A 63 8.051 7.405 -15.933 1.00 61.12 H new ATOM 0 HG1 THR A 63 7.496 8.529 -18.447 1.00 4.12 H new ATOM 0 HG21 THR A 63 6.632 9.395 -16.264 1.00 1.23 H new ATOM 0 HG22 THR A 63 8.082 9.773 -15.304 1.00 1.23 H new ATOM 0 HG23 THR A 63 8.003 10.241 -17.019 1.00 1.23 H new ATOM 850 N GLU A 64 10.958 6.776 -15.132 1.00 1.14 N ATOM 851 CA GLU A 64 11.524 6.402 -13.841 1.00 32.23 C ATOM 852 C GLU A 64 10.441 6.347 -12.767 1.00 75.24 C ATOM 853 O GLU A 64 9.942 5.274 -12.426 1.00 30.23 O ATOM 854 CB GLU A 64 12.614 7.394 -13.430 1.00 23.51 C ATOM 855 CG GLU A 64 14.024 6.858 -13.613 1.00 64.01 C ATOM 856 CD GLU A 64 15.005 7.932 -14.042 1.00 61.13 C ATOM 857 OE1 GLU A 64 14.819 9.100 -13.643 1.00 11.11 O ATOM 858 OE2 GLU A 64 15.959 7.603 -14.778 1.00 4.10 O ATOM 0 H GLU A 64 11.015 6.049 -15.845 1.00 1.14 H new ATOM 0 HA GLU A 64 11.964 5.410 -13.940 1.00 32.23 H new ATOM 0 HB2 GLU A 64 12.502 8.307 -14.015 1.00 23.51 H new ATOM 0 HB3 GLU A 64 12.470 7.666 -12.384 1.00 23.51 H new ATOM 0 HG2 GLU A 64 14.364 6.413 -12.678 1.00 64.01 H new ATOM 0 HG3 GLU A 64 14.013 6.063 -14.358 1.00 64.01 H new ATOM 865 N THR A 65 10.081 7.512 -12.238 1.00 34.13 N ATOM 866 CA THR A 65 9.059 7.598 -11.202 1.00 75.33 C ATOM 867 C THR A 65 7.717 8.025 -11.788 1.00 24.14 C ATOM 868 O THR A 65 7.657 8.589 -12.881 1.00 71.31 O ATOM 869 CB THR A 65 9.462 8.590 -10.095 1.00 62.23 C ATOM 870 OG1 THR A 65 9.305 9.935 -10.562 1.00 20.44 O ATOM 871 CG2 THR A 65 10.903 8.362 -9.664 1.00 1.41 C ATOM 0 H THR A 65 10.482 8.409 -12.510 1.00 34.13 H new ATOM 0 HA THR A 65 8.964 6.602 -10.769 1.00 75.33 H new ATOM 0 HB THR A 65 8.812 8.426 -9.236 1.00 62.23 H new ATOM 0 HG1 THR A 65 9.562 10.560 -9.852 1.00 20.44 H new ATOM 0 HG21 THR A 65 11.166 9.074 -8.881 1.00 1.41 H new ATOM 0 HG22 THR A 65 11.012 7.347 -9.283 1.00 1.41 H new ATOM 0 HG23 THR A 65 11.565 8.502 -10.519 1.00 1.41 H new ATOM 879 N LEU A 66 6.644 7.754 -11.054 1.00 12.03 N ATOM 880 CA LEU A 66 5.302 8.112 -11.500 1.00 72.41 C ATOM 881 C LEU A 66 4.664 9.123 -10.553 1.00 44.31 C ATOM 882 O LEU A 66 3.677 9.773 -10.897 1.00 24.41 O ATOM 883 CB LEU A 66 4.425 6.862 -11.595 1.00 73.11 C ATOM 884 CG LEU A 66 4.670 5.960 -12.805 1.00 63.02 C ATOM 885 CD1 LEU A 66 5.930 5.131 -12.606 1.00 74.13 C ATOM 886 CD2 LEU A 66 3.469 5.058 -13.051 1.00 2.42 C ATOM 0 H LEU A 66 6.677 7.288 -10.147 1.00 12.03 H new ATOM 0 HA LEU A 66 5.384 8.568 -12.487 1.00 72.41 H new ATOM 0 HB2 LEU A 66 4.571 6.271 -10.691 1.00 73.11 H new ATOM 0 HB3 LEU A 66 3.381 7.175 -11.606 1.00 73.11 H new ATOM 0 HG LEU A 66 4.810 6.592 -13.682 1.00 63.02 H new ATOM 0 HD11 LEU A 66 6.088 4.495 -13.477 1.00 74.13 H new ATOM 0 HD12 LEU A 66 6.786 5.794 -12.480 1.00 74.13 H new ATOM 0 HD13 LEU A 66 5.820 4.509 -11.718 1.00 74.13 H new ATOM 0 HD21 LEU A 66 3.662 4.423 -13.916 1.00 2.42 H new ATOM 0 HD22 LEU A 66 3.297 4.434 -12.174 1.00 2.42 H new ATOM 0 HD23 LEU A 66 2.587 5.670 -13.239 1.00 2.42 H new ATOM 898 N GLU A 67 5.237 9.252 -9.360 1.00 43.55 N ATOM 899 CA GLU A 67 4.725 10.187 -8.365 1.00 20.31 C ATOM 900 C GLU A 67 4.717 11.612 -8.910 1.00 0.13 C ATOM 901 O GLU A 67 3.859 12.420 -8.553 1.00 21.51 O ATOM 902 CB GLU A 67 5.568 10.121 -7.090 1.00 24.01 C ATOM 903 CG GLU A 67 4.745 10.146 -5.813 1.00 52.33 C ATOM 904 CD GLU A 67 5.592 10.380 -4.577 1.00 75.52 C ATOM 905 OE1 GLU A 67 6.809 10.613 -4.727 1.00 11.32 O ATOM 906 OE2 GLU A 67 5.036 10.328 -3.460 1.00 12.41 O ATOM 0 H GLU A 67 6.055 8.722 -9.060 1.00 43.55 H new ATOM 0 HA GLU A 67 3.700 9.902 -8.129 1.00 20.31 H new ATOM 0 HB2 GLU A 67 6.168 9.211 -7.108 1.00 24.01 H new ATOM 0 HB3 GLU A 67 6.263 10.960 -7.081 1.00 24.01 H new ATOM 0 HG2 GLU A 67 3.992 10.930 -5.886 1.00 52.33 H new ATOM 0 HG3 GLU A 67 4.212 9.201 -5.710 1.00 52.33 H new ATOM 913 N SER A 68 5.679 11.914 -9.776 1.00 23.24 N ATOM 914 CA SER A 68 5.787 13.242 -10.367 1.00 14.42 C ATOM 915 C SER A 68 4.569 13.552 -11.232 1.00 72.01 C ATOM 916 O SER A 68 4.248 14.715 -11.480 1.00 43.15 O ATOM 917 CB SER A 68 7.062 13.349 -11.205 1.00 2.44 C ATOM 918 OG SER A 68 7.671 14.619 -11.047 1.00 52.41 O ATOM 0 H SER A 68 6.395 11.256 -10.084 1.00 23.24 H new ATOM 0 HA SER A 68 5.831 13.970 -9.557 1.00 14.42 H new ATOM 0 HB2 SER A 68 7.762 12.567 -10.909 1.00 2.44 H new ATOM 0 HB3 SER A 68 6.825 13.184 -12.256 1.00 2.44 H new ATOM 0 HG SER A 68 8.485 14.662 -11.591 1.00 52.41 H new ATOM 924 N LEU A 69 3.894 12.503 -11.689 1.00 14.12 N ATOM 925 CA LEU A 69 2.710 12.661 -12.527 1.00 21.20 C ATOM 926 C LEU A 69 1.435 12.513 -11.703 1.00 23.05 C ATOM 927 O LEU A 69 0.347 12.864 -12.155 1.00 53.15 O ATOM 928 CB LEU A 69 2.721 11.632 -13.659 1.00 25.45 C ATOM 929 CG LEU A 69 4.090 11.310 -14.260 1.00 22.04 C ATOM 930 CD1 LEU A 69 3.945 10.364 -15.442 1.00 2.23 C ATOM 931 CD2 LEU A 69 4.801 12.588 -14.681 1.00 24.24 C ATOM 0 H LEU A 69 4.146 11.534 -11.494 1.00 14.12 H new ATOM 0 HA LEU A 69 2.730 13.663 -12.955 1.00 21.20 H new ATOM 0 HB2 LEU A 69 2.283 10.706 -13.286 1.00 25.45 H new ATOM 0 HB3 LEU A 69 2.072 11.992 -14.457 1.00 25.45 H new ATOM 0 HG LEU A 69 4.693 10.816 -13.498 1.00 22.04 H new ATOM 0 HD11 LEU A 69 4.929 10.146 -15.857 1.00 2.23 H new ATOM 0 HD12 LEU A 69 3.478 9.437 -15.111 1.00 2.23 H new ATOM 0 HD13 LEU A 69 3.324 10.830 -16.207 1.00 2.23 H new ATOM 0 HD21 LEU A 69 5.773 12.340 -15.106 1.00 24.24 H new ATOM 0 HD22 LEU A 69 4.201 13.109 -15.427 1.00 24.24 H new ATOM 0 HD23 LEU A 69 4.939 13.231 -13.812 1.00 24.24 H new ATOM 943 N GLY A 70 1.579 11.992 -10.488 1.00 2.24 N ATOM 944 CA GLY A 70 0.432 11.809 -9.618 1.00 53.22 C ATOM 945 C GLY A 70 0.002 10.359 -9.523 1.00 72.33 C ATOM 946 O GLY A 70 -1.111 10.007 -9.914 1.00 72.53 O ATOM 0 H GLY A 70 2.470 11.693 -10.091 1.00 2.24 H new ATOM 0 HA2 GLY A 70 0.673 12.179 -8.622 1.00 53.22 H new ATOM 0 HA3 GLY A 70 -0.400 12.408 -9.988 1.00 53.22 H new ATOM 950 N VAL A 71 0.887 9.514 -9.004 1.00 35.43 N ATOM 951 CA VAL A 71 0.593 8.093 -8.859 1.00 61.31 C ATOM 952 C VAL A 71 -0.015 7.793 -7.494 1.00 14.43 C ATOM 953 O VAL A 71 0.386 8.371 -6.484 1.00 30.11 O ATOM 954 CB VAL A 71 1.860 7.236 -9.043 1.00 50.43 C ATOM 955 CG1 VAL A 71 2.831 7.466 -7.895 1.00 63.14 C ATOM 956 CG2 VAL A 71 1.495 5.764 -9.158 1.00 23.03 C ATOM 0 H VAL A 71 1.813 9.789 -8.677 1.00 35.43 H new ATOM 0 HA VAL A 71 -0.126 7.838 -9.638 1.00 61.31 H new ATOM 0 HB VAL A 71 2.351 7.538 -9.968 1.00 50.43 H new ATOM 0 HG11 VAL A 71 3.720 6.852 -8.042 1.00 63.14 H new ATOM 0 HG12 VAL A 71 3.117 8.517 -7.865 1.00 63.14 H new ATOM 0 HG13 VAL A 71 2.353 7.193 -6.954 1.00 63.14 H new ATOM 0 HG21 VAL A 71 2.402 5.173 -9.288 1.00 23.03 H new ATOM 0 HG22 VAL A 71 0.980 5.445 -8.252 1.00 23.03 H new ATOM 0 HG23 VAL A 71 0.841 5.617 -10.017 1.00 23.03 H new ATOM 966 N ALA A 72 -0.986 6.886 -7.471 1.00 14.22 N ATOM 967 CA ALA A 72 -1.649 6.508 -6.229 1.00 20.21 C ATOM 968 C ALA A 72 -1.577 5.001 -6.006 1.00 15.05 C ATOM 969 O ALA A 72 -1.586 4.222 -6.958 1.00 63.45 O ATOM 970 CB ALA A 72 -3.097 6.973 -6.240 1.00 55.44 C ATOM 0 H ALA A 72 -1.331 6.399 -8.298 1.00 14.22 H new ATOM 0 HA ALA A 72 -1.129 6.997 -5.405 1.00 20.21 H new ATOM 0 HB1 ALA A 72 -3.579 6.684 -5.306 1.00 55.44 H new ATOM 0 HB2 ALA A 72 -3.130 8.057 -6.345 1.00 55.44 H new ATOM 0 HB3 ALA A 72 -3.621 6.512 -7.077 1.00 55.44 H new ATOM 976 N ASP A 73 -1.507 4.598 -4.742 1.00 24.22 N ATOM 977 CA ASP A 73 -1.434 3.184 -4.393 1.00 61.44 C ATOM 978 C ASP A 73 -2.775 2.496 -4.631 1.00 23.22 C ATOM 979 O ASP A 73 -3.832 3.103 -4.469 1.00 35.43 O ATOM 980 CB ASP A 73 -1.013 3.017 -2.932 1.00 41.34 C ATOM 981 CG ASP A 73 -2.137 3.337 -1.966 1.00 64.02 C ATOM 982 OD1 ASP A 73 -2.353 4.534 -1.682 1.00 60.03 O ATOM 983 OD2 ASP A 73 -2.800 2.390 -1.495 1.00 12.34 O ATOM 0 H ASP A 73 -1.499 5.231 -3.942 1.00 24.22 H new ATOM 0 HA ASP A 73 -0.686 2.716 -5.033 1.00 61.44 H new ATOM 0 HB2 ASP A 73 -0.677 1.993 -2.768 1.00 41.34 H new ATOM 0 HB3 ASP A 73 -0.163 3.668 -2.725 1.00 41.34 H new ATOM 988 N GLY A 74 -2.722 1.225 -5.017 1.00 60.51 N ATOM 989 CA GLY A 74 -3.939 0.476 -5.272 1.00 24.41 C ATOM 990 C GLY A 74 -4.437 0.645 -6.694 1.00 24.15 C ATOM 991 O GLY A 74 -5.605 0.389 -6.984 1.00 34.14 O ATOM 0 H GLY A 74 -1.859 0.701 -5.158 1.00 60.51 H new ATOM 0 HA2 GLY A 74 -3.759 -0.581 -5.077 1.00 24.41 H new ATOM 0 HA3 GLY A 74 -4.714 0.801 -4.578 1.00 24.41 H new ATOM 995 N ASP A 75 -3.549 1.079 -7.582 1.00 32.23 N ATOM 996 CA ASP A 75 -3.905 1.283 -8.981 1.00 71.12 C ATOM 997 C ASP A 75 -3.815 -0.025 -9.761 1.00 60.11 C ATOM 998 O ASP A 75 -3.115 -0.954 -9.358 1.00 62.10 O ATOM 999 CB ASP A 75 -2.991 2.333 -9.614 1.00 64.32 C ATOM 1000 CG ASP A 75 -3.687 3.665 -9.808 1.00 43.53 C ATOM 1001 OD1 ASP A 75 -4.677 3.713 -10.568 1.00 43.14 O ATOM 1002 OD2 ASP A 75 -3.242 4.661 -9.199 1.00 70.34 O ATOM 0 H ASP A 75 -2.578 1.296 -7.358 1.00 32.23 H new ATOM 0 HA ASP A 75 -4.935 1.638 -9.020 1.00 71.12 H new ATOM 0 HB2 ASP A 75 -2.113 2.474 -8.984 1.00 64.32 H new ATOM 0 HB3 ASP A 75 -2.636 1.968 -10.578 1.00 64.32 H new ATOM 1007 N LYS A 76 -4.529 -0.091 -10.880 1.00 21.33 N ATOM 1008 CA LYS A 76 -4.530 -1.285 -11.718 1.00 14.45 C ATOM 1009 C LYS A 76 -3.777 -1.036 -13.020 1.00 53.34 C ATOM 1010 O LYS A 76 -4.035 -0.056 -13.721 1.00 22.25 O ATOM 1011 CB LYS A 76 -5.966 -1.718 -12.021 1.00 55.00 C ATOM 1012 CG LYS A 76 -6.855 -0.584 -12.503 1.00 30.15 C ATOM 1013 CD LYS A 76 -8.120 -1.108 -13.161 1.00 33.32 C ATOM 1014 CE LYS A 76 -8.168 -0.753 -14.639 1.00 64.40 C ATOM 1015 NZ LYS A 76 -7.539 -1.807 -15.483 1.00 21.12 N ATOM 0 H LYS A 76 -5.115 0.668 -11.228 1.00 21.33 H new ATOM 0 HA LYS A 76 -4.024 -2.082 -11.173 1.00 14.45 H new ATOM 0 HB2 LYS A 76 -5.948 -2.501 -12.779 1.00 55.00 H new ATOM 0 HB3 LYS A 76 -6.402 -2.154 -11.122 1.00 55.00 H new ATOM 0 HG2 LYS A 76 -7.120 0.055 -11.661 1.00 30.15 H new ATOM 0 HG3 LYS A 76 -6.305 0.035 -13.212 1.00 30.15 H new ATOM 0 HD2 LYS A 76 -8.171 -2.191 -13.044 1.00 33.32 H new ATOM 0 HD3 LYS A 76 -8.992 -0.692 -12.657 1.00 33.32 H new ATOM 0 HE2 LYS A 76 -9.205 -0.613 -14.945 1.00 64.40 H new ATOM 0 HE3 LYS A 76 -7.657 0.196 -14.802 1.00 64.40 H new ATOM 0 HZ1 LYS A 76 -7.592 -1.528 -16.483 1.00 21.12 H new ATOM 0 HZ2 LYS A 76 -6.543 -1.923 -15.208 1.00 21.12 H new ATOM 0 HZ3 LYS A 76 -8.043 -2.707 -15.348 1.00 21.12 H new ATOM 1029 N PHE A 77 -2.847 -1.929 -13.341 1.00 2.14 N ATOM 1030 CA PHE A 77 -2.057 -1.806 -14.560 1.00 43.01 C ATOM 1031 C PHE A 77 -2.413 -2.909 -15.553 1.00 13.34 C ATOM 1032 O PHE A 77 -2.799 -4.011 -15.162 1.00 2.43 O ATOM 1033 CB PHE A 77 -0.563 -1.862 -14.233 1.00 60.10 C ATOM 1034 CG PHE A 77 -0.182 -1.050 -13.028 1.00 72.12 C ATOM 1035 CD1 PHE A 77 -0.690 0.227 -12.848 1.00 63.52 C ATOM 1036 CD2 PHE A 77 0.684 -1.563 -12.076 1.00 72.20 C ATOM 1037 CE1 PHE A 77 -0.342 0.976 -11.740 1.00 44.44 C ATOM 1038 CE2 PHE A 77 1.035 -0.818 -10.966 1.00 61.32 C ATOM 1039 CZ PHE A 77 0.523 0.454 -10.799 1.00 32.52 C ATOM 0 H PHE A 77 -2.622 -2.746 -12.774 1.00 2.14 H new ATOM 0 HA PHE A 77 -2.287 -0.843 -15.016 1.00 43.01 H new ATOM 0 HB2 PHE A 77 -0.274 -2.900 -14.068 1.00 60.10 H new ATOM 0 HB3 PHE A 77 0.003 -1.507 -15.094 1.00 60.10 H new ATOM 0 HD1 PHE A 77 -1.365 0.641 -13.582 1.00 63.52 H new ATOM 0 HD2 PHE A 77 1.089 -2.556 -12.203 1.00 72.20 H new ATOM 0 HE1 PHE A 77 -0.746 1.969 -11.610 1.00 44.44 H new ATOM 0 HE2 PHE A 77 1.709 -1.230 -10.230 1.00 61.32 H new ATOM 0 HZ PHE A 77 0.799 1.039 -9.934 1.00 32.52 H new ATOM 1049 N VAL A 78 -2.282 -2.603 -16.840 1.00 32.23 N ATOM 1050 CA VAL A 78 -2.590 -3.567 -17.889 1.00 63.34 C ATOM 1051 C VAL A 78 -1.318 -4.194 -18.450 1.00 1.13 C ATOM 1052 O VAL A 78 -0.397 -3.490 -18.866 1.00 2.23 O ATOM 1053 CB VAL A 78 -3.376 -2.912 -19.040 1.00 72.23 C ATOM 1054 CG1 VAL A 78 -3.791 -3.956 -20.066 1.00 32.12 C ATOM 1055 CG2 VAL A 78 -4.590 -2.171 -18.501 1.00 51.40 C ATOM 0 H VAL A 78 -1.965 -1.695 -17.181 1.00 32.23 H new ATOM 0 HA VAL A 78 -3.205 -4.344 -17.434 1.00 63.34 H new ATOM 0 HB VAL A 78 -2.727 -2.189 -19.535 1.00 72.23 H new ATOM 0 HG11 VAL A 78 -4.345 -3.474 -20.872 1.00 32.12 H new ATOM 0 HG12 VAL A 78 -2.903 -4.438 -20.474 1.00 32.12 H new ATOM 0 HG13 VAL A 78 -4.423 -4.705 -19.588 1.00 32.12 H new ATOM 0 HG21 VAL A 78 -5.134 -1.714 -19.328 1.00 51.40 H new ATOM 0 HG22 VAL A 78 -5.243 -2.872 -17.980 1.00 51.40 H new ATOM 0 HG23 VAL A 78 -4.265 -1.395 -17.808 1.00 51.40 H new ATOM 1065 N LEU A 79 -1.273 -5.522 -18.458 1.00 54.54 N ATOM 1066 CA LEU A 79 -0.114 -6.245 -18.969 1.00 1.13 C ATOM 1067 C LEU A 79 -0.412 -6.857 -20.334 1.00 24.44 C ATOM 1068 O LEU A 79 -1.423 -7.537 -20.512 1.00 63.25 O ATOM 1069 CB LEU A 79 0.302 -7.340 -17.985 1.00 71.33 C ATOM 1070 CG LEU A 79 1.331 -8.348 -18.499 1.00 2.24 C ATOM 1071 CD1 LEU A 79 2.542 -7.629 -19.072 1.00 41.54 C ATOM 1072 CD2 LEU A 79 1.750 -9.296 -17.385 1.00 63.50 C ATOM 0 H LEU A 79 -2.026 -6.120 -18.116 1.00 54.54 H new ATOM 0 HA LEU A 79 0.706 -5.536 -19.082 1.00 1.13 H new ATOM 0 HB2 LEU A 79 0.705 -6.864 -17.091 1.00 71.33 H new ATOM 0 HB3 LEU A 79 -0.591 -7.886 -17.681 1.00 71.33 H new ATOM 0 HG LEU A 79 0.872 -8.934 -19.295 1.00 2.24 H new ATOM 0 HD11 LEU A 79 3.263 -8.362 -19.433 1.00 41.54 H new ATOM 0 HD12 LEU A 79 2.229 -6.991 -19.898 1.00 41.54 H new ATOM 0 HD13 LEU A 79 3.003 -7.018 -18.296 1.00 41.54 H new ATOM 0 HD21 LEU A 79 2.482 -10.007 -17.768 1.00 63.50 H new ATOM 0 HD22 LEU A 79 2.191 -8.725 -16.568 1.00 63.50 H new ATOM 0 HD23 LEU A 79 0.877 -9.837 -17.020 1.00 63.50 H new ATOM 1084 N ILE A 80 0.476 -6.614 -21.292 1.00 11.21 N ATOM 1085 CA ILE A 80 0.309 -7.144 -22.639 1.00 65.23 C ATOM 1086 C ILE A 80 1.494 -8.019 -23.036 1.00 32.22 C ATOM 1087 O ILE A 80 2.646 -7.691 -22.751 1.00 21.13 O ATOM 1088 CB ILE A 80 0.151 -6.014 -23.674 1.00 25.23 C ATOM 1089 CG1 ILE A 80 -0.908 -5.013 -23.210 1.00 13.14 C ATOM 1090 CG2 ILE A 80 -0.215 -6.589 -25.034 1.00 45.31 C ATOM 1091 CD1 ILE A 80 -1.084 -3.840 -24.149 1.00 73.41 C ATOM 0 H ILE A 80 1.318 -6.054 -21.160 1.00 11.21 H new ATOM 0 HA ILE A 80 -0.599 -7.747 -22.630 1.00 65.23 H new ATOM 0 HB ILE A 80 1.102 -5.490 -23.767 1.00 25.23 H new ATOM 0 HG12 ILE A 80 -1.862 -5.529 -23.104 1.00 13.14 H new ATOM 0 HG13 ILE A 80 -0.636 -4.640 -22.223 1.00 13.14 H new ATOM 0 HG21 ILE A 80 -0.323 -5.778 -25.755 1.00 45.31 H new ATOM 0 HG22 ILE A 80 0.571 -7.267 -25.366 1.00 45.31 H new ATOM 0 HG23 ILE A 80 -1.156 -7.134 -24.957 1.00 45.31 H new ATOM 0 HD11 ILE A 80 -1.850 -3.172 -23.757 1.00 73.41 H new ATOM 0 HD12 ILE A 80 -0.142 -3.300 -24.237 1.00 73.41 H new ATOM 0 HD13 ILE A 80 -1.387 -4.203 -25.131 1.00 73.41 H new ATOM 1103 N THR A 81 1.203 -9.135 -23.698 1.00 30.05 N ATOM 1104 CA THR A 81 2.243 -10.058 -24.135 1.00 2.45 C ATOM 1105 C THR A 81 1.935 -10.619 -25.518 1.00 15.02 C ATOM 1106 O THR A 81 0.824 -11.084 -25.776 1.00 1.22 O ATOM 1107 CB THR A 81 2.410 -11.226 -23.144 1.00 41.24 C ATOM 1108 OG1 THR A 81 3.496 -12.064 -23.555 1.00 22.15 O ATOM 1109 CG2 THR A 81 1.133 -12.048 -23.057 1.00 41.12 C ATOM 0 H THR A 81 0.255 -9.421 -23.943 1.00 30.05 H new ATOM 0 HA THR A 81 3.173 -9.490 -24.176 1.00 2.45 H new ATOM 0 HB THR A 81 2.624 -10.811 -22.159 1.00 41.24 H new ATOM 0 HG1 THR A 81 3.597 -12.803 -22.920 1.00 22.15 H new ATOM 0 HG21 THR A 81 1.275 -12.867 -22.352 1.00 41.12 H new ATOM 0 HG22 THR A 81 0.314 -11.414 -22.717 1.00 41.12 H new ATOM 0 HG23 THR A 81 0.894 -12.453 -24.040 1.00 41.12 H new ATOM 1117 N ARG A 82 2.924 -10.573 -26.404 1.00 72.30 N ATOM 1118 CA ARG A 82 2.757 -11.077 -27.762 1.00 21.32 C ATOM 1119 C ARG A 82 3.427 -12.439 -27.923 1.00 5.44 C ATOM 1120 O ARG A 82 4.557 -12.644 -27.476 1.00 53.12 O ATOM 1121 CB ARG A 82 3.341 -10.087 -28.771 1.00 75.14 C ATOM 1122 CG ARG A 82 2.289 -9.393 -29.621 1.00 52.03 C ATOM 1123 CD ARG A 82 1.993 -10.176 -30.891 1.00 43.31 C ATOM 1124 NE ARG A 82 1.869 -9.303 -32.056 1.00 13.05 N ATOM 1125 CZ ARG A 82 1.767 -9.751 -33.302 1.00 42.20 C ATOM 1126 NH1 ARG A 82 1.775 -11.054 -33.544 1.00 71.24 N ATOM 1127 NH2 ARG A 82 1.657 -8.894 -34.309 1.00 50.12 N ATOM 0 H ARG A 82 3.849 -10.192 -26.206 1.00 72.30 H new ATOM 0 HA ARG A 82 1.690 -11.192 -27.952 1.00 21.32 H new ATOM 0 HB2 ARG A 82 3.919 -9.333 -28.236 1.00 75.14 H new ATOM 0 HB3 ARG A 82 4.035 -10.615 -29.425 1.00 75.14 H new ATOM 0 HG2 ARG A 82 1.372 -9.275 -29.043 1.00 52.03 H new ATOM 0 HG3 ARG A 82 2.633 -8.392 -29.881 1.00 52.03 H new ATOM 0 HD2 ARG A 82 2.789 -10.900 -31.064 1.00 43.31 H new ATOM 0 HD3 ARG A 82 1.070 -10.741 -30.762 1.00 43.31 H new ATOM 0 HE ARG A 82 1.860 -8.294 -31.904 1.00 13.05 H new ATOM 0 HH11 ARG A 82 1.860 -11.716 -32.772 1.00 71.24 H new ATOM 0 HH12 ARG A 82 1.696 -11.395 -34.502 1.00 71.24 H new ATOM 0 HH21 ARG A 82 1.651 -7.891 -34.126 1.00 50.12 H new ATOM 0 HH22 ARG A 82 1.579 -9.239 -35.266 1.00 50.12 H new ATOM 1141 N THR A 83 2.724 -13.367 -28.563 1.00 72.21 N ATOM 1142 CA THR A 83 3.249 -14.709 -28.781 1.00 42.15 C ATOM 1143 C THR A 83 4.048 -14.782 -30.078 1.00 23.34 C ATOM 1144 O THR A 83 4.938 -15.621 -30.224 1.00 35.01 O ATOM 1145 CB THR A 83 2.119 -15.754 -28.829 1.00 33.12 C ATOM 1146 OG1 THR A 83 1.267 -15.504 -29.952 1.00 61.15 O ATOM 1147 CG2 THR A 83 1.299 -15.723 -27.548 1.00 11.22 C ATOM 0 H THR A 83 1.789 -13.214 -28.940 1.00 72.21 H new ATOM 0 HA THR A 83 3.905 -14.932 -27.939 1.00 42.15 H new ATOM 0 HB THR A 83 2.571 -16.741 -28.929 1.00 33.12 H new ATOM 0 HG1 THR A 83 0.552 -16.174 -29.976 1.00 61.15 H new ATOM 0 HG21 THR A 83 0.507 -16.470 -27.605 1.00 11.22 H new ATOM 0 HG22 THR A 83 1.944 -15.943 -26.698 1.00 11.22 H new ATOM 0 HG23 THR A 83 0.857 -14.734 -27.422 1.00 11.22 H new ATOM 1155 N VAL A 84 3.726 -13.898 -31.017 1.00 24.33 N ATOM 1156 CA VAL A 84 4.416 -13.862 -32.301 1.00 10.22 C ATOM 1157 C VAL A 84 4.282 -15.191 -33.035 1.00 33.44 C ATOM 1158 O VAL A 84 5.192 -16.019 -33.013 1.00 51.25 O ATOM 1159 CB VAL A 84 5.911 -13.533 -32.126 1.00 74.02 C ATOM 1160 CG1 VAL A 84 6.592 -13.408 -33.480 1.00 71.54 C ATOM 1161 CG2 VAL A 84 6.084 -12.259 -31.314 1.00 11.33 C ATOM 0 H VAL A 84 2.992 -13.197 -30.913 1.00 24.33 H new ATOM 0 HA VAL A 84 3.945 -13.076 -32.891 1.00 10.22 H new ATOM 0 HB VAL A 84 6.384 -14.351 -31.582 1.00 74.02 H new ATOM 0 HG11 VAL A 84 7.647 -13.175 -33.336 1.00 71.54 H new ATOM 0 HG12 VAL A 84 6.498 -14.349 -34.023 1.00 71.54 H new ATOM 0 HG13 VAL A 84 6.119 -12.610 -34.053 1.00 71.54 H new ATOM 0 HG21 VAL A 84 7.146 -12.042 -31.200 1.00 11.33 H new ATOM 0 HG22 VAL A 84 5.597 -11.431 -31.829 1.00 11.33 H new ATOM 0 HG23 VAL A 84 5.633 -12.390 -30.330 1.00 11.33 H new ATOM 1171 N GLY A 85 3.139 -15.390 -33.685 1.00 12.23 N ATOM 1172 CA GLY A 85 2.906 -16.621 -34.417 1.00 11.11 C ATOM 1173 C GLY A 85 1.498 -16.708 -34.972 1.00 42.43 C ATOM 1174 O GLY A 85 0.691 -15.798 -34.781 1.00 43.02 O ATOM 0 H GLY A 85 2.370 -14.720 -33.717 1.00 12.23 H new ATOM 0 HA2 GLY A 85 3.621 -16.694 -35.236 1.00 11.11 H new ATOM 0 HA3 GLY A 85 3.087 -17.471 -33.759 1.00 11.11 H new TER 1178 GLY A 85