USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 64 ASN : amide:sc= 0.842 K(o=1.3,f=-3!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.481 USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 6 TYR OH : rot 166:sc= -0.109 USER MOD Set 3.2: A 14 THR OG1 : rot 58:sc= 2.01 USER MOD Set 3.3: A 38 TYR OH : rot -177:sc= 2.74 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= -0.283 (180deg=-2.73!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.872 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -0.376 (180deg=-2.39!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc=2.79e-05 USER MOD Single : A 22 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.086) USER MOD Single : A 25 SER OG : rot -75:sc= 0.0138 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -175:sc= -1.52 USER MOD Single : A 45 GLN : amide:sc= -0.621 K(o=-0.62,f=-4.7!) USER MOD Single : A 46 MET CE :methyl -111:sc= -4.65 (180deg=-7.48!) USER MOD Single : A 47 TYR OH : rot -78:sc= 1.25 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 51 ASN : amide:sc= -0.665 K(o=-0.66,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.6!) USER MOD Single : A 61 ASN : amide:sc= -2.94 K(o=-2.9,f=-5.1!) USER MOD Single : A 63 ASN : amide:sc= -0.289 K(o=-0.29,f=-0.92) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 52:sc= 0.093 USER MOD Single : A 76 LYS NZ :NH3+ -136:sc= -0.0545 (180deg=-0.883) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.643 12.081 6.966 1.00 13.30 N ATOM 2 CA MET A 1 -1.802 10.992 7.449 1.00 55.53 C ATOM 3 C MET A 1 -2.277 9.652 6.896 1.00 54.54 C ATOM 4 O MET A 1 -3.466 9.461 6.642 1.00 12.43 O ATOM 5 CB MET A 1 -1.805 10.957 8.978 1.00 42.04 C ATOM 6 CG MET A 1 -1.062 9.764 9.560 1.00 33.42 C ATOM 7 SD MET A 1 -2.162 8.396 9.973 1.00 63.52 S ATOM 8 CE MET A 1 -2.380 8.655 11.731 1.00 71.02 C ATOM 0 H1 MET A 1 -2.065 12.749 6.417 1.00 13.30 H new ATOM 0 H2 MET A 1 -3.396 11.696 6.361 1.00 13.30 H new ATOM 0 H3 MET A 1 -3.069 12.576 7.775 1.00 13.30 H new ATOM 0 HA MET A 1 -0.785 11.169 7.099 1.00 55.53 H new ATOM 0 HB2 MET A 1 -1.354 11.875 9.355 1.00 42.04 H new ATOM 0 HB3 MET A 1 -2.836 10.940 9.331 1.00 42.04 H new ATOM 0 HG2 MET A 1 -0.315 9.421 8.844 1.00 33.42 H new ATOM 0 HG3 MET A 1 -0.525 10.077 10.456 1.00 33.42 H new ATOM 0 HE1 MET A 1 -3.038 7.885 12.133 1.00 71.02 H new ATOM 0 HE2 MET A 1 -1.412 8.601 12.229 1.00 71.02 H new ATOM 0 HE3 MET A 1 -2.822 9.636 11.902 1.00 71.02 H new ATOM 16 N VAL A 2 -1.340 8.728 6.712 1.00 43.24 N ATOM 17 CA VAL A 2 -1.664 7.405 6.190 1.00 45.34 C ATOM 18 C VAL A 2 -0.938 6.314 6.970 1.00 53.14 C ATOM 19 O VAL A 2 0.271 6.391 7.189 1.00 52.54 O ATOM 20 CB VAL A 2 -1.297 7.285 4.700 1.00 24.41 C ATOM 21 CG1 VAL A 2 -2.147 8.230 3.863 1.00 63.22 C ATOM 22 CG2 VAL A 2 0.184 7.561 4.491 1.00 1.43 C ATOM 0 H VAL A 2 -0.351 8.870 6.916 1.00 43.24 H new ATOM 0 HA VAL A 2 -2.740 7.274 6.303 1.00 45.34 H new ATOM 0 HB VAL A 2 -1.502 6.265 4.375 1.00 24.41 H new ATOM 0 HG11 VAL A 2 -1.874 8.131 2.812 1.00 63.22 H new ATOM 0 HG12 VAL A 2 -3.200 7.980 3.989 1.00 63.22 H new ATOM 0 HG13 VAL A 2 -1.977 9.257 4.187 1.00 63.22 H new ATOM 0 HG21 VAL A 2 0.425 7.472 3.432 1.00 1.43 H new ATOM 0 HG22 VAL A 2 0.418 8.569 4.832 1.00 1.43 H new ATOM 0 HG23 VAL A 2 0.772 6.840 5.059 1.00 1.43 H new ATOM 32 N THR A 3 -1.684 5.296 7.386 1.00 3.40 N ATOM 33 CA THR A 3 -1.114 4.188 8.143 1.00 74.41 C ATOM 34 C THR A 3 -1.219 2.880 7.367 1.00 32.13 C ATOM 35 O THR A 3 -2.268 2.562 6.806 1.00 33.22 O ATOM 36 CB THR A 3 -1.809 4.021 9.507 1.00 31.22 C ATOM 37 OG1 THR A 3 -2.053 5.304 10.093 1.00 4.33 O ATOM 38 CG2 THR A 3 -0.960 3.181 10.448 1.00 42.13 C ATOM 0 H THR A 3 -2.686 5.216 7.211 1.00 3.40 H new ATOM 0 HA THR A 3 -0.063 4.426 8.307 1.00 74.41 H new ATOM 0 HB THR A 3 -2.758 3.510 9.346 1.00 31.22 H new ATOM 0 HG1 THR A 3 -2.497 5.189 10.959 1.00 4.33 H new ATOM 0 HG21 THR A 3 -1.472 3.077 11.405 1.00 42.13 H new ATOM 0 HG22 THR A 3 -0.801 2.195 10.012 1.00 42.13 H new ATOM 0 HG23 THR A 3 0.003 3.668 10.602 1.00 42.13 H new ATOM 46 N VAL A 4 -0.127 2.124 7.338 1.00 43.25 N ATOM 47 CA VAL A 4 -0.098 0.849 6.633 1.00 62.21 C ATOM 48 C VAL A 4 0.292 -0.290 7.569 1.00 12.13 C ATOM 49 O VAL A 4 1.093 -0.107 8.485 1.00 34.11 O ATOM 50 CB VAL A 4 0.888 0.884 5.449 1.00 13.42 C ATOM 51 CG1 VAL A 4 0.747 -0.369 4.599 1.00 44.32 C ATOM 52 CG2 VAL A 4 0.667 2.134 4.610 1.00 54.03 C ATOM 0 H VAL A 4 0.750 2.373 7.795 1.00 43.25 H new ATOM 0 HA VAL A 4 -1.105 0.676 6.254 1.00 62.21 H new ATOM 0 HB VAL A 4 1.903 0.913 5.845 1.00 13.42 H new ATOM 0 HG11 VAL A 4 1.451 -0.326 3.768 1.00 44.32 H new ATOM 0 HG12 VAL A 4 0.958 -1.248 5.208 1.00 44.32 H new ATOM 0 HG13 VAL A 4 -0.269 -0.433 4.210 1.00 44.32 H new ATOM 0 HG21 VAL A 4 1.371 2.143 3.778 1.00 54.03 H new ATOM 0 HG22 VAL A 4 -0.352 2.137 4.223 1.00 54.03 H new ATOM 0 HG23 VAL A 4 0.823 3.019 5.227 1.00 54.03 H new ATOM 62 N ARG A 5 -0.281 -1.465 7.333 1.00 31.32 N ATOM 63 CA ARG A 5 0.005 -2.634 8.157 1.00 75.40 C ATOM 64 C ARG A 5 0.631 -3.747 7.321 1.00 14.10 C ATOM 65 O ARG A 5 0.432 -3.814 6.108 1.00 14.31 O ATOM 66 CB ARG A 5 -1.275 -3.140 8.823 1.00 1.50 C ATOM 67 CG ARG A 5 -1.023 -4.022 10.036 1.00 33.55 C ATOM 68 CD ARG A 5 -2.106 -3.845 11.088 1.00 21.41 C ATOM 69 NE ARG A 5 -1.671 -4.304 12.404 1.00 4.22 N ATOM 70 CZ ARG A 5 -2.496 -4.485 13.429 1.00 44.32 C ATOM 71 NH1 ARG A 5 -3.793 -4.249 13.290 1.00 41.42 N ATOM 72 NH2 ARG A 5 -2.025 -4.906 14.596 1.00 55.21 N ATOM 0 H ARG A 5 -0.946 -1.633 6.578 1.00 31.32 H new ATOM 0 HA ARG A 5 0.716 -2.339 8.929 1.00 75.40 H new ATOM 0 HB2 ARG A 5 -1.880 -2.285 9.125 1.00 1.50 H new ATOM 0 HB3 ARG A 5 -1.858 -3.700 8.092 1.00 1.50 H new ATOM 0 HG2 ARG A 5 -0.983 -5.066 9.726 1.00 33.55 H new ATOM 0 HG3 ARG A 5 -0.052 -3.780 10.468 1.00 33.55 H new ATOM 0 HD2 ARG A 5 -2.387 -2.793 11.146 1.00 21.41 H new ATOM 0 HD3 ARG A 5 -2.997 -4.397 10.788 1.00 21.41 H new ATOM 0 HE ARG A 5 -0.679 -4.496 12.544 1.00 4.22 H new ATOM 0 HH11 ARG A 5 -4.160 -3.928 12.394 1.00 41.42 H new ATOM 0 HH12 ARG A 5 -4.424 -4.389 14.079 1.00 41.42 H new ATOM 0 HH21 ARG A 5 -1.028 -5.091 14.707 1.00 55.21 H new ATOM 0 HH22 ARG A 5 -2.660 -5.044 15.382 1.00 55.21 H new ATOM 83 N TYR A 6 1.390 -4.617 7.979 1.00 11.14 N ATOM 84 CA TYR A 6 2.047 -5.725 7.297 1.00 70.13 C ATOM 85 C TYR A 6 2.094 -6.962 8.188 1.00 44.23 C ATOM 86 O TYR A 6 2.467 -6.885 9.359 1.00 34.03 O ATOM 87 CB TYR A 6 3.465 -5.328 6.883 1.00 70.41 C ATOM 88 CG TYR A 6 3.554 -3.943 6.283 1.00 31.22 C ATOM 89 CD1 TYR A 6 3.107 -3.693 4.991 1.00 64.14 C ATOM 90 CD2 TYR A 6 4.084 -2.883 7.008 1.00 41.35 C ATOM 91 CE1 TYR A 6 3.188 -2.430 4.439 1.00 20.42 C ATOM 92 CE2 TYR A 6 4.167 -1.615 6.464 1.00 42.54 C ATOM 93 CZ TYR A 6 3.719 -1.395 5.179 1.00 11.54 C ATOM 94 OH TYR A 6 3.798 -0.134 4.632 1.00 55.02 O ATOM 0 H TYR A 6 1.565 -4.576 8.983 1.00 11.14 H new ATOM 0 HA TYR A 6 1.468 -5.963 6.405 1.00 70.13 H new ATOM 0 HB2 TYR A 6 4.117 -5.380 7.755 1.00 70.41 H new ATOM 0 HB3 TYR A 6 3.840 -6.053 6.161 1.00 70.41 H new ATOM 0 HD1 TYR A 6 2.689 -4.501 4.409 1.00 64.14 H new ATOM 0 HD2 TYR A 6 4.437 -3.053 8.014 1.00 41.35 H new ATOM 0 HE1 TYR A 6 2.837 -2.254 3.433 1.00 20.42 H new ATOM 0 HE2 TYR A 6 4.580 -0.802 7.042 1.00 42.54 H new ATOM 0 HH TYR A 6 3.981 0.519 5.340 1.00 55.02 H new ATOM 103 N TYR A 7 1.714 -8.104 7.625 1.00 40.32 N ATOM 104 CA TYR A 7 1.710 -9.359 8.369 1.00 31.15 C ATOM 105 C TYR A 7 3.065 -10.053 8.272 1.00 32.34 C ATOM 106 O TYR A 7 3.980 -9.564 7.609 1.00 51.10 O ATOM 107 CB TYR A 7 0.612 -10.284 7.841 1.00 52.42 C ATOM 108 CG TYR A 7 -0.724 -10.086 8.521 1.00 11.33 C ATOM 109 CD1 TYR A 7 -1.230 -8.811 8.747 1.00 63.33 C ATOM 110 CD2 TYR A 7 -1.482 -11.174 8.937 1.00 52.00 C ATOM 111 CE1 TYR A 7 -2.449 -8.626 9.367 1.00 40.13 C ATOM 112 CE2 TYR A 7 -2.703 -10.998 9.558 1.00 2.33 C ATOM 113 CZ TYR A 7 -3.182 -9.722 9.771 1.00 11.22 C ATOM 114 OH TYR A 7 -4.399 -9.541 10.389 1.00 42.40 O ATOM 0 H TYR A 7 1.405 -8.187 6.656 1.00 40.32 H new ATOM 0 HA TYR A 7 1.512 -9.132 9.417 1.00 31.15 H new ATOM 0 HB2 TYR A 7 0.493 -10.119 6.770 1.00 52.42 H new ATOM 0 HB3 TYR A 7 0.927 -11.319 7.971 1.00 52.42 H new ATOM 0 HD1 TYR A 7 -0.659 -7.950 8.432 1.00 63.33 H new ATOM 0 HD2 TYR A 7 -1.110 -12.174 8.772 1.00 52.00 H new ATOM 0 HE1 TYR A 7 -2.827 -7.628 9.535 1.00 40.13 H new ATOM 0 HE2 TYR A 7 -3.280 -11.854 9.875 1.00 2.33 H new ATOM 0 HH TYR A 7 -4.787 -10.414 10.609 1.00 42.40 H new ATOM 123 N ALA A 8 3.185 -11.197 8.937 1.00 62.21 N ATOM 124 CA ALA A 8 4.427 -11.961 8.925 1.00 21.10 C ATOM 125 C ALA A 8 4.895 -12.225 7.498 1.00 71.01 C ATOM 126 O ALA A 8 6.092 -12.363 7.242 1.00 30.11 O ATOM 127 CB ALA A 8 4.246 -13.273 9.674 1.00 43.21 C ATOM 0 H ALA A 8 2.438 -11.615 9.491 1.00 62.21 H new ATOM 0 HA ALA A 8 5.193 -11.371 9.428 1.00 21.10 H new ATOM 0 HB1 ALA A 8 5.181 -13.833 9.657 1.00 43.21 H new ATOM 0 HB2 ALA A 8 3.965 -13.067 10.707 1.00 43.21 H new ATOM 0 HB3 ALA A 8 3.462 -13.860 9.195 1.00 43.21 H new ATOM 133 N THR A 9 3.945 -12.293 6.570 1.00 14.51 N ATOM 134 CA THR A 9 4.260 -12.542 5.170 1.00 21.42 C ATOM 135 C THR A 9 5.145 -11.438 4.601 1.00 1.32 C ATOM 136 O THR A 9 5.976 -11.684 3.726 1.00 43.24 O ATOM 137 CB THR A 9 2.983 -12.650 4.317 1.00 22.24 C ATOM 138 OG1 THR A 9 2.106 -11.555 4.607 1.00 50.31 O ATOM 139 CG2 THR A 9 2.264 -13.965 4.581 1.00 51.14 C ATOM 0 H THR A 9 2.950 -12.179 6.764 1.00 14.51 H new ATOM 0 HA THR A 9 4.795 -13.491 5.131 1.00 21.42 H new ATOM 0 HB THR A 9 3.271 -12.617 3.266 1.00 22.24 H new ATOM 0 HG1 THR A 9 1.297 -11.630 4.059 1.00 50.31 H new ATOM 0 HG21 THR A 9 1.365 -14.018 3.967 1.00 51.14 H new ATOM 0 HG22 THR A 9 2.923 -14.797 4.332 1.00 51.14 H new ATOM 0 HG23 THR A 9 1.988 -14.024 5.634 1.00 51.14 H new ATOM 147 N LEU A 10 4.962 -10.222 5.103 1.00 73.14 N ATOM 148 CA LEU A 10 5.745 -9.080 4.645 1.00 12.14 C ATOM 149 C LEU A 10 6.787 -8.682 5.685 1.00 63.55 C ATOM 150 O LEU A 10 7.234 -7.536 5.724 1.00 54.21 O ATOM 151 CB LEU A 10 4.827 -7.893 4.349 1.00 32.44 C ATOM 152 CG LEU A 10 3.998 -7.990 3.067 1.00 13.10 C ATOM 153 CD1 LEU A 10 2.611 -8.538 3.368 1.00 55.33 C ATOM 154 CD2 LEU A 10 3.900 -6.630 2.391 1.00 33.32 C ATOM 0 H LEU A 10 4.278 -10.001 5.827 1.00 73.14 H new ATOM 0 HA LEU A 10 6.262 -9.370 3.730 1.00 12.14 H new ATOM 0 HB2 LEU A 10 4.145 -7.768 5.190 1.00 32.44 H new ATOM 0 HB3 LEU A 10 5.437 -6.991 4.296 1.00 32.44 H new ATOM 0 HG LEU A 10 4.498 -8.678 2.385 1.00 13.10 H new ATOM 0 HD11 LEU A 10 2.036 -8.600 2.444 1.00 55.33 H new ATOM 0 HD12 LEU A 10 2.700 -9.532 3.807 1.00 55.33 H new ATOM 0 HD13 LEU A 10 2.102 -7.876 4.068 1.00 55.33 H new ATOM 0 HD21 LEU A 10 3.307 -6.718 1.481 1.00 33.32 H new ATOM 0 HD22 LEU A 10 3.423 -5.921 3.068 1.00 33.32 H new ATOM 0 HD23 LEU A 10 4.900 -6.276 2.140 1.00 33.32 H new ATOM 165 N ARG A 11 7.173 -9.639 6.524 1.00 74.35 N ATOM 166 CA ARG A 11 8.164 -9.388 7.563 1.00 50.15 C ATOM 167 C ARG A 11 9.496 -8.961 6.953 1.00 14.44 C ATOM 168 O ARG A 11 10.016 -7.880 7.234 1.00 20.11 O ATOM 169 CB ARG A 11 8.363 -10.641 8.420 1.00 33.31 C ATOM 170 CG ARG A 11 9.774 -10.786 8.967 1.00 53.42 C ATOM 171 CD ARG A 11 9.837 -11.829 10.072 1.00 42.22 C ATOM 172 NE ARG A 11 10.165 -13.156 9.554 1.00 11.44 N ATOM 173 CZ ARG A 11 11.355 -13.479 9.062 1.00 41.43 C ATOM 174 NH1 ARG A 11 12.327 -12.578 9.022 1.00 23.03 N ATOM 175 NH2 ARG A 11 11.576 -14.707 8.610 1.00 5.54 N ATOM 0 H ARG A 11 6.815 -10.594 6.504 1.00 74.35 H new ATOM 0 HA ARG A 11 7.796 -8.578 8.193 1.00 50.15 H new ATOM 0 HB2 ARG A 11 7.660 -10.617 9.253 1.00 33.31 H new ATOM 0 HB3 ARG A 11 8.121 -11.521 7.824 1.00 33.31 H new ATOM 0 HG2 ARG A 11 10.451 -11.067 8.161 1.00 53.42 H new ATOM 0 HG3 ARG A 11 10.117 -9.825 9.351 1.00 53.42 H new ATOM 0 HD2 ARG A 11 10.584 -11.532 10.808 1.00 42.22 H new ATOM 0 HD3 ARG A 11 8.878 -11.868 10.589 1.00 42.22 H new ATOM 0 HE ARG A 11 9.440 -13.873 9.572 1.00 11.44 H new ATOM 0 HH11 ARG A 11 12.162 -11.634 9.370 1.00 23.03 H new ATOM 0 HH12 ARG A 11 13.240 -12.829 8.643 1.00 23.03 H new ATOM 0 HH21 ARG A 11 10.831 -15.403 8.640 1.00 5.54 H new ATOM 0 HH22 ARG A 11 12.491 -14.954 8.232 1.00 5.54 H new ATOM 186 N PRO A 12 10.062 -9.826 6.100 1.00 3.03 N ATOM 187 CA PRO A 12 11.339 -9.560 5.432 1.00 55.43 C ATOM 188 C PRO A 12 11.229 -8.452 4.389 1.00 43.42 C ATOM 189 O PRO A 12 12.236 -7.987 3.855 1.00 53.24 O ATOM 190 CB PRO A 12 11.675 -10.893 4.762 1.00 63.42 C ATOM 191 CG PRO A 12 10.357 -11.559 4.562 1.00 31.34 C ATOM 192 CD PRO A 12 9.498 -11.132 5.720 1.00 44.01 C ATOM 0 HA PRO A 12 12.100 -9.216 6.132 1.00 55.43 H new ATOM 0 HB2 PRO A 12 12.190 -10.741 3.813 1.00 63.42 H new ATOM 0 HB3 PRO A 12 12.332 -11.496 5.388 1.00 63.42 H new ATOM 0 HG2 PRO A 12 9.909 -11.262 3.614 1.00 31.34 H new ATOM 0 HG3 PRO A 12 10.467 -12.643 4.537 1.00 31.34 H new ATOM 0 HD2 PRO A 12 8.450 -11.049 5.433 1.00 44.01 H new ATOM 0 HD3 PRO A 12 9.548 -11.846 6.542 1.00 44.01 H new ATOM 197 N ILE A 13 10.000 -8.034 4.105 1.00 44.41 N ATOM 198 CA ILE A 13 9.759 -6.981 3.127 1.00 11.24 C ATOM 199 C ILE A 13 9.677 -5.615 3.799 1.00 41.32 C ATOM 200 O ILE A 13 10.254 -4.638 3.320 1.00 11.21 O ATOM 201 CB ILE A 13 8.460 -7.231 2.339 1.00 21.03 C ATOM 202 CG1 ILE A 13 8.353 -8.705 1.942 1.00 53.55 C ATOM 203 CG2 ILE A 13 8.408 -6.341 1.106 1.00 14.32 C ATOM 204 CD1 ILE A 13 7.106 -9.029 1.151 1.00 4.54 C ATOM 0 H ILE A 13 9.156 -8.409 4.538 1.00 44.41 H new ATOM 0 HA ILE A 13 10.602 -6.994 2.436 1.00 11.24 H new ATOM 0 HB ILE A 13 7.613 -6.984 2.978 1.00 21.03 H new ATOM 0 HG12 ILE A 13 9.228 -8.979 1.353 1.00 53.55 H new ATOM 0 HG13 ILE A 13 8.371 -9.318 2.843 1.00 53.55 H new ATOM 0 HG21 ILE A 13 7.484 -6.530 0.560 1.00 14.32 H new ATOM 0 HG22 ILE A 13 8.442 -5.295 1.411 1.00 14.32 H new ATOM 0 HG23 ILE A 13 9.261 -6.560 0.463 1.00 14.32 H new ATOM 0 HD11 ILE A 13 7.097 -10.091 0.904 1.00 4.54 H new ATOM 0 HD12 ILE A 13 6.225 -8.787 1.746 1.00 4.54 H new ATOM 0 HD13 ILE A 13 7.096 -8.443 0.232 1.00 4.54 H new ATOM 215 N THR A 14 8.958 -5.553 4.915 1.00 52.51 N ATOM 216 CA THR A 14 8.801 -4.307 5.656 1.00 75.12 C ATOM 217 C THR A 14 9.864 -4.174 6.740 1.00 51.53 C ATOM 218 O THR A 14 9.971 -3.138 7.396 1.00 62.02 O ATOM 219 CB THR A 14 7.407 -4.211 6.304 1.00 52.30 C ATOM 220 OG1 THR A 14 7.188 -2.885 6.800 1.00 53.00 O ATOM 221 CG2 THR A 14 7.269 -5.212 7.441 1.00 14.13 C ATOM 0 H THR A 14 8.475 -6.352 5.326 1.00 52.51 H new ATOM 0 HA THR A 14 8.916 -3.495 4.938 1.00 75.12 H new ATOM 0 HB THR A 14 6.660 -4.443 5.544 1.00 52.30 H new ATOM 0 HG1 THR A 14 7.281 -2.242 6.067 1.00 53.00 H new ATOM 0 HG21 THR A 14 6.277 -5.126 7.883 1.00 14.13 H new ATOM 0 HG22 THR A 14 7.408 -6.222 7.055 1.00 14.13 H new ATOM 0 HG23 THR A 14 8.024 -5.007 8.200 1.00 14.13 H new ATOM 229 N LYS A 15 10.650 -5.230 6.924 1.00 30.31 N ATOM 230 CA LYS A 15 11.707 -5.231 7.929 1.00 64.33 C ATOM 231 C LYS A 15 11.125 -5.103 9.332 1.00 41.53 C ATOM 232 O LYS A 15 11.776 -4.591 10.242 1.00 73.34 O ATOM 233 CB LYS A 15 12.690 -4.086 7.666 1.00 5.10 C ATOM 234 CG LYS A 15 13.111 -3.969 6.212 1.00 61.34 C ATOM 235 CD LYS A 15 14.432 -3.231 6.073 1.00 34.51 C ATOM 236 CE LYS A 15 14.281 -1.752 6.395 1.00 52.00 C ATOM 237 NZ LYS A 15 13.835 -0.969 5.210 1.00 33.53 N ATOM 0 H LYS A 15 10.575 -6.096 6.390 1.00 30.31 H new ATOM 0 HA LYS A 15 12.238 -6.181 7.861 1.00 64.33 H new ATOM 0 HB2 LYS A 15 12.234 -3.147 7.980 1.00 5.10 H new ATOM 0 HB3 LYS A 15 13.577 -4.231 8.282 1.00 5.10 H new ATOM 0 HG2 LYS A 15 13.201 -4.964 5.777 1.00 61.34 H new ATOM 0 HG3 LYS A 15 12.339 -3.444 5.649 1.00 61.34 H new ATOM 0 HD2 LYS A 15 15.170 -3.676 6.740 1.00 34.51 H new ATOM 0 HD3 LYS A 15 14.809 -3.347 5.057 1.00 34.51 H new ATOM 0 HE2 LYS A 15 13.561 -1.628 7.204 1.00 52.00 H new ATOM 0 HE3 LYS A 15 15.233 -1.359 6.753 1.00 52.00 H new ATOM 0 HZ1 LYS A 15 13.744 0.034 5.471 1.00 33.53 H new ATOM 0 HZ2 LYS A 15 14.534 -1.066 4.446 1.00 33.53 H new ATOM 0 HZ3 LYS A 15 12.915 -1.327 4.884 1.00 33.53 H new ATOM 247 N LYS A 16 9.894 -5.574 9.502 1.00 42.34 N ATOM 248 CA LYS A 16 9.224 -5.516 10.796 1.00 4.14 C ATOM 249 C LYS A 16 9.240 -4.096 11.353 1.00 31.25 C ATOM 250 O LYS A 16 9.714 -3.859 12.464 1.00 42.24 O ATOM 251 CB LYS A 16 9.896 -6.471 11.785 1.00 10.44 C ATOM 252 CG LYS A 16 8.937 -7.066 12.802 1.00 33.21 C ATOM 253 CD LYS A 16 9.424 -8.414 13.307 1.00 32.54 C ATOM 254 CE LYS A 16 9.317 -9.483 12.229 1.00 53.51 C ATOM 255 NZ LYS A 16 8.055 -10.265 12.348 1.00 35.34 N ATOM 0 H LYS A 16 9.340 -6.000 8.759 1.00 42.34 H new ATOM 0 HA LYS A 16 8.187 -5.821 10.654 1.00 4.14 H new ATOM 0 HB2 LYS A 16 10.372 -7.280 11.230 1.00 10.44 H new ATOM 0 HB3 LYS A 16 10.687 -5.938 12.312 1.00 10.44 H new ATOM 0 HG2 LYS A 16 8.825 -6.381 13.642 1.00 33.21 H new ATOM 0 HG3 LYS A 16 7.951 -7.180 12.351 1.00 33.21 H new ATOM 0 HD2 LYS A 16 10.460 -8.329 13.635 1.00 32.54 H new ATOM 0 HD3 LYS A 16 8.838 -8.712 14.176 1.00 32.54 H new ATOM 0 HE2 LYS A 16 9.362 -9.014 11.246 1.00 53.51 H new ATOM 0 HE3 LYS A 16 10.170 -10.157 12.300 1.00 53.51 H new ATOM 0 HZ1 LYS A 16 8.274 -11.232 12.663 1.00 35.34 H new ATOM 0 HZ2 LYS A 16 7.428 -9.809 13.041 1.00 35.34 H new ATOM 0 HZ3 LYS A 16 7.581 -10.302 11.423 1.00 35.34 H new ATOM 265 N LYS A 17 8.717 -3.154 10.575 1.00 43.33 N ATOM 266 CA LYS A 17 8.668 -1.757 10.992 1.00 64.53 C ATOM 267 C LYS A 17 7.523 -1.023 10.302 1.00 64.22 C ATOM 268 O LYS A 17 7.498 -0.905 9.078 1.00 64.40 O ATOM 269 CB LYS A 17 9.995 -1.064 10.677 1.00 74.32 C ATOM 270 CG LYS A 17 10.148 0.290 11.349 1.00 71.51 C ATOM 271 CD LYS A 17 11.268 1.102 10.719 1.00 61.22 C ATOM 272 CE LYS A 17 12.633 0.639 11.206 1.00 64.21 C ATOM 273 NZ LYS A 17 13.620 1.754 11.233 1.00 11.03 N ATOM 0 H LYS A 17 8.321 -3.333 9.652 1.00 43.33 H new ATOM 0 HA LYS A 17 8.497 -1.730 12.068 1.00 64.53 H new ATOM 0 HB2 LYS A 17 10.816 -1.710 10.989 1.00 74.32 H new ATOM 0 HB3 LYS A 17 10.082 -0.937 9.598 1.00 74.32 H new ATOM 0 HG2 LYS A 17 9.211 0.842 11.275 1.00 71.51 H new ATOM 0 HG3 LYS A 17 10.352 0.149 12.410 1.00 71.51 H new ATOM 0 HD2 LYS A 17 11.218 1.013 9.634 1.00 61.22 H new ATOM 0 HD3 LYS A 17 11.133 2.157 10.958 1.00 61.22 H new ATOM 0 HE2 LYS A 17 12.537 0.215 12.205 1.00 64.21 H new ATOM 0 HE3 LYS A 17 13.000 -0.155 10.556 1.00 64.21 H new ATOM 0 HZ1 LYS A 17 14.537 1.398 11.570 1.00 11.03 H new ATOM 0 HZ2 LYS A 17 13.731 2.143 10.275 1.00 11.03 H new ATOM 0 HZ3 LYS A 17 13.282 2.501 11.873 1.00 11.03 H new ATOM 283 N GLU A 18 6.577 -0.531 11.097 1.00 43.15 N ATOM 284 CA GLU A 18 5.430 0.191 10.561 1.00 25.03 C ATOM 285 C GLU A 18 5.457 1.653 10.996 1.00 2.13 C ATOM 286 O GLU A 18 5.858 1.970 12.115 1.00 15.53 O ATOM 287 CB GLU A 18 4.126 -0.466 11.020 1.00 61.31 C ATOM 288 CG GLU A 18 2.888 0.360 10.712 1.00 63.23 C ATOM 289 CD GLU A 18 2.541 1.329 11.826 1.00 60.53 C ATOM 290 OE1 GLU A 18 2.669 0.947 13.007 1.00 50.44 O ATOM 291 OE2 GLU A 18 2.142 2.471 11.513 1.00 2.30 O ATOM 0 H GLU A 18 6.583 -0.620 12.113 1.00 43.15 H new ATOM 0 HA GLU A 18 5.484 0.153 9.473 1.00 25.03 H new ATOM 0 HB2 GLU A 18 4.031 -1.440 10.540 1.00 61.31 H new ATOM 0 HB3 GLU A 18 4.177 -0.643 12.094 1.00 61.31 H new ATOM 0 HG2 GLU A 18 3.048 0.916 9.788 1.00 63.23 H new ATOM 0 HG3 GLU A 18 2.044 -0.308 10.540 1.00 63.23 H new ATOM 296 N GLU A 19 5.027 2.538 10.102 1.00 15.34 N ATOM 297 CA GLU A 19 5.002 3.967 10.393 1.00 15.40 C ATOM 298 C GLU A 19 3.973 4.682 9.524 1.00 30.10 C ATOM 299 O GLU A 19 3.521 4.148 8.510 1.00 12.35 O ATOM 300 CB GLU A 19 6.387 4.579 10.172 1.00 23.30 C ATOM 301 CG GLU A 19 7.327 4.402 11.353 1.00 2.22 C ATOM 302 CD GLU A 19 8.392 5.480 11.418 1.00 23.44 C ATOM 303 OE1 GLU A 19 8.596 6.174 10.400 1.00 41.42 O ATOM 304 OE2 GLU A 19 9.021 5.628 12.486 1.00 3.41 O ATOM 0 H GLU A 19 4.691 2.291 9.171 1.00 15.34 H new ATOM 0 HA GLU A 19 4.719 4.094 11.438 1.00 15.40 H new ATOM 0 HB2 GLU A 19 6.838 4.127 9.289 1.00 23.30 H new ATOM 0 HB3 GLU A 19 6.276 5.643 9.964 1.00 23.30 H new ATOM 0 HG2 GLU A 19 6.749 4.411 12.277 1.00 2.22 H new ATOM 0 HG3 GLU A 19 7.807 3.426 11.287 1.00 2.22 H new ATOM 309 N THR A 20 3.606 5.895 9.927 1.00 23.12 N ATOM 310 CA THR A 20 2.630 6.684 9.187 1.00 3.03 C ATOM 311 C THR A 20 3.309 7.781 8.376 1.00 23.41 C ATOM 312 O THR A 20 4.397 8.240 8.724 1.00 15.30 O ATOM 313 CB THR A 20 1.594 7.325 10.129 1.00 52.43 C ATOM 314 OG1 THR A 20 2.259 7.952 11.232 1.00 14.13 O ATOM 315 CG2 THR A 20 0.615 6.283 10.648 1.00 23.10 C ATOM 0 H THR A 20 3.971 6.352 10.763 1.00 23.12 H new ATOM 0 HA THR A 20 2.120 5.999 8.510 1.00 3.03 H new ATOM 0 HB THR A 20 1.037 8.074 9.565 1.00 52.43 H new ATOM 0 HG1 THR A 20 1.594 8.359 11.826 1.00 14.13 H new ATOM 0 HG21 THR A 20 -0.107 6.760 11.311 1.00 23.10 H new ATOM 0 HG22 THR A 20 0.090 5.827 9.809 1.00 23.10 H new ATOM 0 HG23 THR A 20 1.159 5.514 11.197 1.00 23.10 H new ATOM 323 N PHE A 21 2.663 8.196 7.292 1.00 23.11 N ATOM 324 CA PHE A 21 3.206 9.239 6.430 1.00 53.02 C ATOM 325 C PHE A 21 2.163 10.321 6.161 1.00 42.03 C ATOM 326 O PHE A 21 0.975 10.031 6.022 1.00 42.22 O ATOM 327 CB PHE A 21 3.688 8.639 5.108 1.00 32.33 C ATOM 328 CG PHE A 21 4.948 7.832 5.239 1.00 1.04 C ATOM 329 CD1 PHE A 21 4.894 6.487 5.564 1.00 4.34 C ATOM 330 CD2 PHE A 21 6.186 8.419 5.037 1.00 72.15 C ATOM 331 CE1 PHE A 21 6.051 5.742 5.687 1.00 64.42 C ATOM 332 CE2 PHE A 21 7.347 7.679 5.158 1.00 73.32 C ATOM 333 CZ PHE A 21 7.280 6.339 5.482 1.00 1.34 C ATOM 0 H PHE A 21 1.762 7.826 6.989 1.00 23.11 H new ATOM 0 HA PHE A 21 4.052 9.695 6.943 1.00 53.02 H new ATOM 0 HB2 PHE A 21 2.902 8.006 4.698 1.00 32.33 H new ATOM 0 HB3 PHE A 21 3.855 9.444 4.392 1.00 32.33 H new ATOM 0 HD1 PHE A 21 3.936 6.015 5.723 1.00 4.34 H new ATOM 0 HD2 PHE A 21 6.245 9.467 4.782 1.00 72.15 H new ATOM 0 HE1 PHE A 21 5.995 4.694 5.943 1.00 64.42 H new ATOM 0 HE2 PHE A 21 8.306 8.149 4.999 1.00 73.32 H new ATOM 0 HZ PHE A 21 8.186 5.759 5.575 1.00 1.34 H new ATOM 342 N ASN A 22 2.617 11.567 6.089 1.00 33.03 N ATOM 343 CA ASN A 22 1.723 12.693 5.838 1.00 41.23 C ATOM 344 C ASN A 22 2.182 13.490 4.621 1.00 14.30 C ATOM 345 O ASN A 22 3.370 13.765 4.457 1.00 54.52 O ATOM 346 CB ASN A 22 1.660 13.605 7.066 1.00 63.42 C ATOM 347 CG ASN A 22 2.981 14.299 7.338 1.00 35.34 C ATOM 348 OD1 ASN A 22 3.199 15.432 6.907 1.00 23.20 O ATOM 349 ND2 ASN A 22 3.869 13.622 8.057 1.00 4.44 N ATOM 0 H ASN A 22 3.598 11.824 6.201 1.00 33.03 H new ATOM 0 HA ASN A 22 0.727 12.297 5.637 1.00 41.23 H new ATOM 0 HB2 ASN A 22 0.882 14.354 6.919 1.00 63.42 H new ATOM 0 HB3 ASN A 22 1.375 13.017 7.938 1.00 63.42 H new ATOM 0 HD21 ASN A 22 4.775 14.039 8.273 1.00 4.44 H new ATOM 0 HD22 ASN A 22 3.645 12.685 8.394 1.00 4.44 H new ATOM 355 N GLY A 23 1.230 13.860 3.769 1.00 53.35 N ATOM 356 CA GLY A 23 1.557 14.623 2.579 1.00 22.12 C ATOM 357 C GLY A 23 0.438 14.608 1.556 1.00 11.40 C ATOM 358 O GLY A 23 -0.194 15.634 1.302 1.00 4.42 O ATOM 0 H GLY A 23 0.239 13.645 3.882 1.00 53.35 H new ATOM 0 HA2 GLY A 23 1.775 15.653 2.860 1.00 22.12 H new ATOM 0 HA3 GLY A 23 2.463 14.217 2.128 1.00 22.12 H new ATOM 362 N ILE A 24 0.193 13.442 0.967 1.00 12.33 N ATOM 363 CA ILE A 24 -0.857 13.299 -0.034 1.00 1.43 C ATOM 364 C ILE A 24 -2.048 12.526 0.525 1.00 30.21 C ATOM 365 O ILE A 24 -1.888 11.642 1.367 1.00 71.52 O ATOM 366 CB ILE A 24 -0.340 12.580 -1.294 1.00 54.15 C ATOM 367 CG1 ILE A 24 -1.401 12.608 -2.395 1.00 21.21 C ATOM 368 CG2 ILE A 24 0.052 11.148 -0.964 1.00 43.53 C ATOM 369 CD1 ILE A 24 -0.844 12.941 -3.763 1.00 52.52 C ATOM 0 H ILE A 24 0.707 12.584 1.166 1.00 12.33 H new ATOM 0 HA ILE A 24 -1.174 14.306 -0.304 1.00 1.43 H new ATOM 0 HB ILE A 24 0.545 13.103 -1.655 1.00 54.15 H new ATOM 0 HG12 ILE A 24 -1.893 11.637 -2.439 1.00 21.21 H new ATOM 0 HG13 ILE A 24 -2.164 13.341 -2.134 1.00 21.21 H new ATOM 0 HG21 ILE A 24 0.415 10.653 -1.865 1.00 43.53 H new ATOM 0 HG22 ILE A 24 0.838 11.151 -0.209 1.00 43.53 H new ATOM 0 HG23 ILE A 24 -0.816 10.612 -0.581 1.00 43.53 H new ATOM 0 HD11 ILE A 24 -1.652 12.943 -4.494 1.00 52.52 H new ATOM 0 HD12 ILE A 24 -0.377 13.925 -3.736 1.00 52.52 H new ATOM 0 HD13 ILE A 24 -0.101 12.195 -4.045 1.00 52.52 H new ATOM 380 N SER A 25 -3.242 12.864 0.050 1.00 35.30 N ATOM 381 CA SER A 25 -4.461 12.204 0.503 1.00 60.21 C ATOM 382 C SER A 25 -5.071 11.364 -0.615 1.00 53.50 C ATOM 383 O SER A 25 -6.250 11.506 -0.941 1.00 71.22 O ATOM 384 CB SER A 25 -5.475 13.239 0.991 1.00 14.15 C ATOM 385 OG SER A 25 -5.176 13.667 2.309 1.00 63.31 O ATOM 0 H SER A 25 -3.392 13.592 -0.649 1.00 35.30 H new ATOM 0 HA SER A 25 -4.202 11.543 1.330 1.00 60.21 H new ATOM 0 HB2 SER A 25 -5.476 14.097 0.318 1.00 14.15 H new ATOM 0 HB3 SER A 25 -6.477 12.811 0.963 1.00 14.15 H new ATOM 0 HG SER A 25 -5.427 12.966 2.946 1.00 63.31 H new ATOM 390 N LYS A 26 -4.260 10.488 -1.198 1.00 15.33 N ATOM 391 CA LYS A 26 -4.718 9.623 -2.278 1.00 3.30 C ATOM 392 C LYS A 26 -3.914 8.327 -2.315 1.00 44.24 C ATOM 393 O LYS A 26 -2.762 8.288 -1.883 1.00 51.51 O ATOM 394 CB LYS A 26 -4.602 10.346 -3.622 1.00 61.43 C ATOM 395 CG LYS A 26 -5.621 11.456 -3.806 1.00 12.23 C ATOM 396 CD LYS A 26 -5.687 11.921 -5.251 1.00 62.10 C ATOM 397 CE LYS A 26 -5.657 13.438 -5.350 1.00 73.35 C ATOM 398 NZ LYS A 26 -5.899 13.908 -6.742 1.00 72.01 N ATOM 0 H LYS A 26 -3.282 10.358 -0.940 1.00 15.33 H new ATOM 0 HA LYS A 26 -5.764 9.376 -2.094 1.00 3.30 H new ATOM 0 HB2 LYS A 26 -3.600 10.765 -3.714 1.00 61.43 H new ATOM 0 HB3 LYS A 26 -4.719 9.620 -4.427 1.00 61.43 H new ATOM 0 HG2 LYS A 26 -6.604 11.105 -3.491 1.00 12.23 H new ATOM 0 HG3 LYS A 26 -5.363 12.298 -3.164 1.00 12.23 H new ATOM 0 HD2 LYS A 26 -4.849 11.502 -5.808 1.00 62.10 H new ATOM 0 HD3 LYS A 26 -6.598 11.543 -5.715 1.00 62.10 H new ATOM 0 HE2 LYS A 26 -6.413 13.860 -4.688 1.00 73.35 H new ATOM 0 HE3 LYS A 26 -4.690 13.805 -5.006 1.00 73.35 H new ATOM 0 HZ1 LYS A 26 -5.871 14.947 -6.767 1.00 72.01 H new ATOM 0 HZ2 LYS A 26 -5.163 13.526 -7.370 1.00 72.01 H new ATOM 0 HZ3 LYS A 26 -6.832 13.579 -7.062 1.00 72.01 H new ATOM 408 N ILE A 27 -4.528 7.269 -2.835 1.00 12.11 N ATOM 409 CA ILE A 27 -3.868 5.973 -2.930 1.00 0.34 C ATOM 410 C ILE A 27 -2.826 5.968 -4.042 1.00 62.03 C ATOM 411 O ILE A 27 -1.856 5.211 -3.995 1.00 2.53 O ATOM 412 CB ILE A 27 -4.882 4.843 -3.187 1.00 54.33 C ATOM 413 CG1 ILE A 27 -5.745 4.611 -1.945 1.00 63.14 C ATOM 414 CG2 ILE A 27 -4.160 3.564 -3.584 1.00 12.23 C ATOM 415 CD1 ILE A 27 -4.996 3.964 -0.801 1.00 74.10 C ATOM 0 H ILE A 27 -5.482 7.284 -3.197 1.00 12.11 H new ATOM 0 HA ILE A 27 -3.376 5.798 -1.973 1.00 0.34 H new ATOM 0 HB ILE A 27 -5.534 5.139 -4.009 1.00 54.33 H new ATOM 0 HG12 ILE A 27 -6.149 5.566 -1.610 1.00 63.14 H new ATOM 0 HG13 ILE A 27 -6.594 3.983 -2.215 1.00 63.14 H new ATOM 0 HG21 ILE A 27 -4.890 2.774 -3.762 1.00 12.23 H new ATOM 0 HG22 ILE A 27 -3.585 3.738 -4.493 1.00 12.23 H new ATOM 0 HG23 ILE A 27 -3.487 3.262 -2.781 1.00 12.23 H new ATOM 0 HD11 ILE A 27 -5.670 3.830 0.045 1.00 74.10 H new ATOM 0 HD12 ILE A 27 -4.615 2.994 -1.118 1.00 74.10 H new ATOM 0 HD13 ILE A 27 -4.163 4.602 -0.504 1.00 74.10 H new ATOM 426 N SER A 28 -3.030 6.820 -5.042 1.00 51.44 N ATOM 427 CA SER A 28 -2.108 6.913 -6.168 1.00 5.04 C ATOM 428 C SER A 28 -0.682 7.159 -5.684 1.00 21.21 C ATOM 429 O SER A 28 0.237 6.414 -6.023 1.00 32.24 O ATOM 430 CB SER A 28 -2.538 8.034 -7.115 1.00 23.32 C ATOM 431 OG SER A 28 -1.415 8.644 -7.727 1.00 22.55 O ATOM 0 H SER A 28 -3.826 7.456 -5.095 1.00 51.44 H new ATOM 0 HA SER A 28 -2.132 5.965 -6.705 1.00 5.04 H new ATOM 0 HB2 SER A 28 -3.200 7.632 -7.882 1.00 23.32 H new ATOM 0 HB3 SER A 28 -3.106 8.783 -6.563 1.00 23.32 H new ATOM 0 HG SER A 28 -1.717 9.356 -8.329 1.00 22.55 H new ATOM 436 N GLU A 29 -0.508 8.210 -4.889 1.00 75.13 N ATOM 437 CA GLU A 29 0.807 8.556 -4.360 1.00 4.53 C ATOM 438 C GLU A 29 1.208 7.605 -3.236 1.00 2.52 C ATOM 439 O GLU A 29 2.360 7.180 -3.147 1.00 54.01 O ATOM 440 CB GLU A 29 0.812 9.998 -3.848 1.00 4.35 C ATOM 441 CG GLU A 29 1.456 10.983 -4.809 1.00 61.43 C ATOM 442 CD GLU A 29 2.862 10.574 -5.206 1.00 51.13 C ATOM 443 OE1 GLU A 29 3.701 10.380 -4.301 1.00 4.00 O ATOM 444 OE2 GLU A 29 3.122 10.448 -6.421 1.00 74.42 O ATOM 0 H GLU A 29 -1.259 8.836 -4.597 1.00 75.13 H new ATOM 0 HA GLU A 29 1.532 8.462 -5.169 1.00 4.53 H new ATOM 0 HB2 GLU A 29 -0.215 10.310 -3.655 1.00 4.35 H new ATOM 0 HB3 GLU A 29 1.340 10.035 -2.895 1.00 4.35 H new ATOM 0 HG2 GLU A 29 0.840 11.068 -5.704 1.00 61.43 H new ATOM 0 HG3 GLU A 29 1.485 11.970 -4.347 1.00 61.43 H new ATOM 449 N LEU A 30 0.248 7.274 -2.378 1.00 53.03 N ATOM 450 CA LEU A 30 0.499 6.374 -1.259 1.00 11.30 C ATOM 451 C LEU A 30 1.102 5.059 -1.742 1.00 5.41 C ATOM 452 O LEU A 30 2.132 4.612 -1.235 1.00 22.24 O ATOM 453 CB LEU A 30 -0.798 6.102 -0.495 1.00 34.10 C ATOM 454 CG LEU A 30 -0.713 5.066 0.625 1.00 5.22 C ATOM 455 CD1 LEU A 30 -0.540 5.748 1.973 1.00 14.54 C ATOM 456 CD2 LEU A 30 -1.952 4.181 0.628 1.00 30.14 C ATOM 0 H LEU A 30 -0.711 7.616 -2.437 1.00 53.03 H new ATOM 0 HA LEU A 30 1.212 6.857 -0.591 1.00 11.30 H new ATOM 0 HB2 LEU A 30 -1.148 7.042 -0.068 1.00 34.10 H new ATOM 0 HB3 LEU A 30 -1.554 5.775 -1.208 1.00 34.10 H new ATOM 0 HG LEU A 30 0.159 4.437 0.446 1.00 5.22 H new ATOM 0 HD11 LEU A 30 -0.482 4.994 2.758 1.00 14.54 H new ATOM 0 HD12 LEU A 30 0.377 6.338 1.967 1.00 14.54 H new ATOM 0 HD13 LEU A 30 -1.391 6.402 2.162 1.00 14.54 H new ATOM 0 HD21 LEU A 30 -1.874 3.449 1.432 1.00 30.14 H new ATOM 0 HD22 LEU A 30 -2.838 4.796 0.782 1.00 30.14 H new ATOM 0 HD23 LEU A 30 -2.031 3.663 -0.328 1.00 30.14 H new ATOM 467 N LEU A 31 0.456 4.444 -2.726 1.00 11.35 N ATOM 468 CA LEU A 31 0.928 3.181 -3.281 1.00 71.31 C ATOM 469 C LEU A 31 2.282 3.358 -3.962 1.00 31.11 C ATOM 470 O LEU A 31 3.227 2.619 -3.688 1.00 32.11 O ATOM 471 CB LEU A 31 -0.089 2.626 -4.279 1.00 34.30 C ATOM 472 CG LEU A 31 -1.179 1.726 -3.697 1.00 30.23 C ATOM 473 CD1 LEU A 31 -2.176 1.330 -4.774 1.00 23.43 C ATOM 474 CD2 LEU A 31 -0.563 0.490 -3.057 1.00 22.44 C ATOM 0 H LEU A 31 -0.397 4.800 -3.156 1.00 11.35 H new ATOM 0 HA LEU A 31 1.044 2.473 -2.460 1.00 71.31 H new ATOM 0 HB2 LEU A 31 -0.569 3.465 -4.782 1.00 34.30 H new ATOM 0 HB3 LEU A 31 0.450 2.063 -5.041 1.00 34.30 H new ATOM 0 HG LEU A 31 -1.711 2.284 -2.926 1.00 30.23 H new ATOM 0 HD11 LEU A 31 -2.944 0.690 -4.341 1.00 23.43 H new ATOM 0 HD12 LEU A 31 -2.640 2.226 -5.187 1.00 23.43 H new ATOM 0 HD13 LEU A 31 -1.659 0.791 -5.568 1.00 23.43 H new ATOM 0 HD21 LEU A 31 -1.353 -0.140 -2.648 1.00 22.44 H new ATOM 0 HD22 LEU A 31 -0.006 -0.069 -3.808 1.00 22.44 H new ATOM 0 HD23 LEU A 31 0.111 0.793 -2.256 1.00 22.44 H new ATOM 485 N GLU A 32 2.367 4.344 -4.850 1.00 71.02 N ATOM 486 CA GLU A 32 3.606 4.619 -5.568 1.00 24.33 C ATOM 487 C GLU A 32 4.765 4.823 -4.598 1.00 14.02 C ATOM 488 O GLU A 32 5.893 4.407 -4.863 1.00 22.24 O ATOM 489 CB GLU A 32 3.444 5.856 -6.455 1.00 2.53 C ATOM 490 CG GLU A 32 4.719 6.261 -7.174 1.00 63.15 C ATOM 491 CD GLU A 32 4.513 7.436 -8.111 1.00 44.32 C ATOM 492 OE1 GLU A 32 3.623 7.350 -8.982 1.00 72.40 O ATOM 493 OE2 GLU A 32 5.243 8.439 -7.971 1.00 13.11 O ATOM 0 H GLU A 32 1.594 4.965 -5.089 1.00 71.02 H new ATOM 0 HA GLU A 32 3.830 3.757 -6.196 1.00 24.33 H new ATOM 0 HB2 GLU A 32 2.666 5.663 -7.194 1.00 2.53 H new ATOM 0 HB3 GLU A 32 3.102 6.690 -5.842 1.00 2.53 H new ATOM 0 HG2 GLU A 32 5.481 6.517 -6.438 1.00 63.15 H new ATOM 0 HG3 GLU A 32 5.097 5.411 -7.741 1.00 63.15 H new ATOM 498 N ARG A 33 4.478 5.468 -3.472 1.00 53.23 N ATOM 499 CA ARG A 33 5.496 5.730 -2.461 1.00 34.42 C ATOM 500 C ARG A 33 5.785 4.475 -1.643 1.00 72.53 C ATOM 501 O ARG A 33 6.907 4.271 -1.175 1.00 5.05 O ATOM 502 CB ARG A 33 5.047 6.862 -1.535 1.00 34.25 C ATOM 503 CG ARG A 33 5.083 8.234 -2.190 1.00 54.52 C ATOM 504 CD ARG A 33 6.440 8.898 -2.017 1.00 25.24 C ATOM 505 NE ARG A 33 6.529 10.159 -2.748 1.00 75.51 N ATOM 506 CZ ARG A 33 5.896 11.268 -2.381 1.00 23.23 C ATOM 507 NH1 ARG A 33 5.131 11.271 -1.299 1.00 3.32 N ATOM 508 NH2 ARG A 33 6.026 12.376 -3.099 1.00 61.11 N ATOM 0 H ARG A 33 3.550 5.819 -3.237 1.00 53.23 H new ATOM 0 HA ARG A 33 6.411 6.029 -2.972 1.00 34.42 H new ATOM 0 HB2 ARG A 33 4.033 6.659 -1.192 1.00 34.25 H new ATOM 0 HB3 ARG A 33 5.686 6.873 -0.652 1.00 34.25 H new ATOM 0 HG2 ARG A 33 4.857 8.138 -3.252 1.00 54.52 H new ATOM 0 HG3 ARG A 33 4.309 8.866 -1.755 1.00 54.52 H new ATOM 0 HD2 ARG A 33 6.623 9.079 -0.958 1.00 25.24 H new ATOM 0 HD3 ARG A 33 7.221 8.222 -2.364 1.00 25.24 H new ATOM 0 HE ARG A 33 7.109 10.190 -3.586 1.00 75.51 H new ATOM 0 HH11 ARG A 33 5.027 10.421 -0.746 1.00 3.32 H new ATOM 0 HH12 ARG A 33 4.646 12.124 -1.020 1.00 3.32 H new ATOM 0 HH21 ARG A 33 6.612 12.377 -3.934 1.00 61.11 H new ATOM 0 HH22 ARG A 33 5.540 13.227 -2.816 1.00 61.11 H new ATOM 519 N LEU A 34 4.768 3.638 -1.473 1.00 31.23 N ATOM 520 CA LEU A 34 4.912 2.402 -0.711 1.00 71.51 C ATOM 521 C LEU A 34 5.755 1.386 -1.476 1.00 2.35 C ATOM 522 O LEU A 34 6.702 0.816 -0.936 1.00 72.02 O ATOM 523 CB LEU A 34 3.538 1.810 -0.397 1.00 53.10 C ATOM 524 CG LEU A 34 3.419 1.055 0.927 1.00 44.04 C ATOM 525 CD1 LEU A 34 2.048 0.410 1.053 1.00 11.14 C ATOM 526 CD2 LEU A 34 4.516 0.006 1.043 1.00 0.21 C ATOM 0 H LEU A 34 3.834 3.792 -1.853 1.00 31.23 H new ATOM 0 HA LEU A 34 5.420 2.637 0.224 1.00 71.51 H new ATOM 0 HB2 LEU A 34 2.807 2.619 -0.398 1.00 53.10 H new ATOM 0 HB3 LEU A 34 3.264 1.132 -1.205 1.00 53.10 H new ATOM 0 HG LEU A 34 3.538 1.769 1.742 1.00 44.04 H new ATOM 0 HD11 LEU A 34 1.982 -0.123 2.002 1.00 11.14 H new ATOM 0 HD12 LEU A 34 1.278 1.181 1.016 1.00 11.14 H new ATOM 0 HD13 LEU A 34 1.899 -0.291 0.232 1.00 11.14 H new ATOM 0 HD21 LEU A 34 4.416 -0.522 1.991 1.00 0.21 H new ATOM 0 HD22 LEU A 34 4.428 -0.705 0.221 1.00 0.21 H new ATOM 0 HD23 LEU A 34 5.491 0.492 0.999 1.00 0.21 H new ATOM 537 N LYS A 35 5.402 1.164 -2.738 1.00 41.04 N ATOM 538 CA LYS A 35 6.126 0.219 -3.580 1.00 31.53 C ATOM 539 C LYS A 35 7.607 0.577 -3.650 1.00 21.13 C ATOM 540 O LYS A 35 8.471 -0.297 -3.571 1.00 3.02 O ATOM 541 CB LYS A 35 5.528 0.199 -4.989 1.00 42.30 C ATOM 542 CG LYS A 35 5.535 1.555 -5.673 1.00 13.13 C ATOM 543 CD LYS A 35 4.803 1.513 -7.004 1.00 42.33 C ATOM 544 CE LYS A 35 3.323 1.216 -6.816 1.00 51.23 C ATOM 545 NZ LYS A 35 2.568 1.337 -8.094 1.00 10.44 N ATOM 0 H LYS A 35 4.619 1.626 -3.200 1.00 41.04 H new ATOM 0 HA LYS A 35 6.030 -0.772 -3.137 1.00 31.53 H new ATOM 0 HB2 LYS A 35 6.086 -0.510 -5.601 1.00 42.30 H new ATOM 0 HB3 LYS A 35 4.502 -0.165 -4.934 1.00 42.30 H new ATOM 0 HG2 LYS A 35 5.067 2.294 -5.023 1.00 13.13 H new ATOM 0 HG3 LYS A 35 6.564 1.877 -5.833 1.00 13.13 H new ATOM 0 HD2 LYS A 35 4.922 2.468 -7.516 1.00 42.33 H new ATOM 0 HD3 LYS A 35 5.250 0.751 -7.643 1.00 42.33 H new ATOM 0 HE2 LYS A 35 3.202 0.209 -6.416 1.00 51.23 H new ATOM 0 HE3 LYS A 35 2.905 1.903 -6.080 1.00 51.23 H new ATOM 0 HZ1 LYS A 35 1.564 1.127 -7.925 1.00 10.44 H new ATOM 0 HZ2 LYS A 35 2.662 2.305 -8.463 1.00 10.44 H new ATOM 0 HZ3 LYS A 35 2.950 0.663 -8.788 1.00 10.44 H new ATOM 555 N VAL A 36 7.894 1.866 -3.797 1.00 63.01 N ATOM 556 CA VAL A 36 9.270 2.339 -3.874 1.00 63.45 C ATOM 557 C VAL A 36 9.930 2.341 -2.500 1.00 0.43 C ATOM 558 O VAL A 36 11.122 2.067 -2.372 1.00 70.31 O ATOM 559 CB VAL A 36 9.345 3.759 -4.469 1.00 4.42 C ATOM 560 CG1 VAL A 36 8.587 4.743 -3.592 1.00 35.11 C ATOM 561 CG2 VAL A 36 10.793 4.189 -4.640 1.00 73.22 C ATOM 0 H VAL A 36 7.191 2.602 -3.865 1.00 63.01 H new ATOM 0 HA VAL A 36 9.803 1.650 -4.529 1.00 63.45 H new ATOM 0 HB VAL A 36 8.876 3.749 -5.453 1.00 4.42 H new ATOM 0 HG11 VAL A 36 8.650 5.741 -4.026 1.00 35.11 H new ATOM 0 HG12 VAL A 36 7.542 4.441 -3.526 1.00 35.11 H new ATOM 0 HG13 VAL A 36 9.025 4.753 -2.594 1.00 35.11 H new ATOM 0 HG21 VAL A 36 10.827 5.194 -5.061 1.00 73.22 H new ATOM 0 HG22 VAL A 36 11.291 4.185 -3.670 1.00 73.22 H new ATOM 0 HG23 VAL A 36 11.301 3.497 -5.311 1.00 73.22 H new ATOM 571 N GLU A 37 9.143 2.650 -1.473 1.00 74.53 N ATOM 572 CA GLU A 37 9.652 2.687 -0.107 1.00 50.32 C ATOM 573 C GLU A 37 10.401 1.402 0.230 1.00 1.11 C ATOM 574 O GLU A 37 11.529 1.438 0.723 1.00 34.41 O ATOM 575 CB GLU A 37 8.503 2.896 0.882 1.00 2.33 C ATOM 576 CG GLU A 37 8.917 2.743 2.337 1.00 63.32 C ATOM 577 CD GLU A 37 7.791 3.064 3.300 1.00 51.32 C ATOM 578 OE1 GLU A 37 6.912 3.872 2.936 1.00 21.05 O ATOM 579 OE2 GLU A 37 7.789 2.507 4.418 1.00 31.21 O ATOM 0 H GLU A 37 8.153 2.878 -1.561 1.00 74.53 H new ATOM 0 HA GLU A 37 10.347 3.523 -0.028 1.00 50.32 H new ATOM 0 HB2 GLU A 37 8.085 3.892 0.735 1.00 2.33 H new ATOM 0 HB3 GLU A 37 7.710 2.181 0.661 1.00 2.33 H new ATOM 0 HG2 GLU A 37 9.257 1.722 2.509 1.00 63.32 H new ATOM 0 HG3 GLU A 37 9.763 3.399 2.541 1.00 63.32 H new ATOM 584 N TYR A 38 9.766 0.266 -0.038 1.00 52.01 N ATOM 585 CA TYR A 38 10.370 -1.032 0.239 1.00 52.32 C ATOM 586 C TYR A 38 11.111 -1.560 -0.984 1.00 22.44 C ATOM 587 O TYR A 38 12.175 -2.166 -0.867 1.00 75.22 O ATOM 588 CB TYR A 38 9.299 -2.034 0.674 1.00 31.20 C ATOM 589 CG TYR A 38 8.615 -1.666 1.971 1.00 72.24 C ATOM 590 CD1 TYR A 38 9.355 -1.323 3.096 1.00 11.54 C ATOM 591 CD2 TYR A 38 7.229 -1.660 2.071 1.00 75.35 C ATOM 592 CE1 TYR A 38 8.734 -0.986 4.283 1.00 32.11 C ATOM 593 CE2 TYR A 38 6.600 -1.323 3.254 1.00 72.34 C ATOM 594 CZ TYR A 38 7.357 -0.987 4.357 1.00 2.13 C ATOM 595 OH TYR A 38 6.734 -0.651 5.538 1.00 60.13 O ATOM 0 H TYR A 38 8.833 0.218 -0.447 1.00 52.01 H new ATOM 0 HA TYR A 38 11.089 -0.905 1.049 1.00 52.32 H new ATOM 0 HB2 TYR A 38 8.548 -2.115 -0.112 1.00 31.20 H new ATOM 0 HB3 TYR A 38 9.756 -3.018 0.781 1.00 31.20 H new ATOM 0 HD1 TYR A 38 10.434 -1.320 3.041 1.00 11.54 H new ATOM 0 HD2 TYR A 38 6.633 -1.923 1.209 1.00 75.35 H new ATOM 0 HE1 TYR A 38 9.324 -0.723 5.149 1.00 32.11 H new ATOM 0 HE2 TYR A 38 5.522 -1.323 3.315 1.00 72.34 H new ATOM 0 HH TYR A 38 5.764 -0.747 5.435 1.00 60.13 H new ATOM 604 N GLY A 39 10.539 -1.326 -2.162 1.00 15.34 N ATOM 605 CA GLY A 39 11.158 -1.783 -3.392 1.00 3.10 C ATOM 606 C GLY A 39 10.194 -2.550 -4.276 1.00 13.43 C ATOM 607 O GLY A 39 9.054 -2.807 -3.886 1.00 21.10 O ATOM 0 H GLY A 39 9.658 -0.828 -2.286 1.00 15.34 H new ATOM 0 HA2 GLY A 39 11.545 -0.925 -3.941 1.00 3.10 H new ATOM 0 HA3 GLY A 39 12.010 -2.419 -3.152 1.00 3.10 H new ATOM 611 N SER A 40 10.649 -2.914 -5.470 1.00 60.45 N ATOM 612 CA SER A 40 9.817 -3.650 -6.415 1.00 2.31 C ATOM 613 C SER A 40 9.280 -4.930 -5.782 1.00 14.21 C ATOM 614 O SER A 40 8.179 -5.377 -6.099 1.00 24.25 O ATOM 615 CB SER A 40 10.615 -3.987 -7.675 1.00 24.31 C ATOM 616 OG SER A 40 11.510 -5.061 -7.441 1.00 2.52 O ATOM 0 H SER A 40 11.590 -2.711 -5.807 1.00 60.45 H new ATOM 0 HA SER A 40 8.972 -3.017 -6.687 1.00 2.31 H new ATOM 0 HB2 SER A 40 9.932 -4.249 -8.483 1.00 24.31 H new ATOM 0 HB3 SER A 40 11.173 -3.109 -8.001 1.00 24.31 H new ATOM 0 HG SER A 40 12.007 -5.258 -8.263 1.00 2.52 H new ATOM 621 N GLU A 41 10.066 -5.514 -4.883 1.00 34.20 N ATOM 622 CA GLU A 41 9.670 -6.743 -4.206 1.00 71.01 C ATOM 623 C GLU A 41 8.281 -6.602 -3.591 1.00 71.24 C ATOM 624 O GLU A 41 7.411 -7.448 -3.794 1.00 31.42 O ATOM 625 CB GLU A 41 10.687 -7.103 -3.120 1.00 0.33 C ATOM 626 CG GLU A 41 10.755 -8.592 -2.821 1.00 52.34 C ATOM 627 CD GLU A 41 11.907 -8.949 -1.901 1.00 53.21 C ATOM 628 OE1 GLU A 41 11.710 -8.929 -0.668 1.00 14.11 O ATOM 629 OE2 GLU A 41 13.005 -9.248 -2.414 1.00 62.33 O ATOM 0 H GLU A 41 10.980 -5.156 -4.607 1.00 34.20 H new ATOM 0 HA GLU A 41 9.641 -7.543 -4.946 1.00 71.01 H new ATOM 0 HB2 GLU A 41 11.674 -6.757 -3.429 1.00 0.33 H new ATOM 0 HB3 GLU A 41 10.434 -6.568 -2.205 1.00 0.33 H new ATOM 0 HG2 GLU A 41 9.818 -8.911 -2.364 1.00 52.34 H new ATOM 0 HG3 GLU A 41 10.857 -9.143 -3.756 1.00 52.34 H new ATOM 634 N PHE A 42 8.081 -5.526 -2.836 1.00 2.12 N ATOM 635 CA PHE A 42 6.798 -5.273 -2.190 1.00 43.54 C ATOM 636 C PHE A 42 5.696 -5.077 -3.226 1.00 65.41 C ATOM 637 O PHE A 42 4.553 -5.484 -3.019 1.00 41.12 O ATOM 638 CB PHE A 42 6.892 -4.041 -1.287 1.00 23.43 C ATOM 639 CG PHE A 42 5.573 -3.630 -0.696 1.00 72.53 C ATOM 640 CD1 PHE A 42 4.719 -2.791 -1.394 1.00 11.41 C ATOM 641 CD2 PHE A 42 5.190 -4.081 0.556 1.00 12.11 C ATOM 642 CE1 PHE A 42 3.505 -2.410 -0.853 1.00 40.33 C ATOM 643 CE2 PHE A 42 3.977 -3.704 1.101 1.00 44.32 C ATOM 644 CZ PHE A 42 3.135 -2.867 0.397 1.00 12.21 C ATOM 0 H PHE A 42 8.791 -4.816 -2.657 1.00 2.12 H new ATOM 0 HA PHE A 42 6.548 -6.142 -1.582 1.00 43.54 H new ATOM 0 HB2 PHE A 42 7.595 -4.245 -0.480 1.00 23.43 H new ATOM 0 HB3 PHE A 42 7.299 -3.209 -1.862 1.00 23.43 H new ATOM 0 HD1 PHE A 42 5.005 -2.431 -2.371 1.00 11.41 H new ATOM 0 HD2 PHE A 42 5.846 -4.734 1.112 1.00 12.11 H new ATOM 0 HE1 PHE A 42 2.847 -1.756 -1.407 1.00 40.33 H new ATOM 0 HE2 PHE A 42 3.688 -4.064 2.077 1.00 44.32 H new ATOM 0 HZ PHE A 42 2.188 -2.570 0.823 1.00 12.21 H new ATOM 653 N THR A 43 6.048 -4.448 -4.343 1.00 63.10 N ATOM 654 CA THR A 43 5.090 -4.194 -5.412 1.00 42.12 C ATOM 655 C THR A 43 4.653 -5.494 -6.078 1.00 44.11 C ATOM 656 O THR A 43 3.465 -5.716 -6.312 1.00 42.41 O ATOM 657 CB THR A 43 5.677 -3.255 -6.482 1.00 1.12 C ATOM 658 OG1 THR A 43 6.852 -2.611 -5.976 1.00 15.01 O ATOM 659 CG2 THR A 43 4.657 -2.207 -6.899 1.00 34.33 C ATOM 0 H THR A 43 6.990 -4.105 -4.531 1.00 63.10 H new ATOM 0 HA THR A 43 4.225 -3.714 -4.954 1.00 42.12 H new ATOM 0 HB THR A 43 5.938 -3.852 -7.356 1.00 1.12 H new ATOM 0 HG1 THR A 43 7.175 -1.958 -6.631 1.00 15.01 H new ATOM 0 HG21 THR A 43 5.094 -1.555 -7.655 1.00 34.33 H new ATOM 0 HG22 THR A 43 3.776 -2.700 -7.310 1.00 34.33 H new ATOM 0 HG23 THR A 43 4.369 -1.614 -6.031 1.00 34.33 H new ATOM 667 N LYS A 44 5.621 -6.352 -6.382 1.00 32.51 N ATOM 668 CA LYS A 44 5.337 -7.632 -7.022 1.00 43.51 C ATOM 669 C LYS A 44 4.725 -8.612 -6.025 1.00 20.22 C ATOM 670 O LYS A 44 3.992 -9.523 -6.410 1.00 2.53 O ATOM 671 CB LYS A 44 6.617 -8.224 -7.615 1.00 61.14 C ATOM 672 CG LYS A 44 7.091 -7.513 -8.871 1.00 22.55 C ATOM 673 CD LYS A 44 8.370 -8.130 -9.412 1.00 13.00 C ATOM 674 CE LYS A 44 9.548 -7.871 -8.487 1.00 41.13 C ATOM 675 NZ LYS A 44 10.850 -7.970 -9.204 1.00 32.34 N ATOM 0 H LYS A 44 6.610 -6.184 -6.196 1.00 32.51 H new ATOM 0 HA LYS A 44 4.619 -7.459 -7.824 1.00 43.51 H new ATOM 0 HB2 LYS A 44 7.407 -8.184 -6.865 1.00 61.14 H new ATOM 0 HB3 LYS A 44 6.448 -9.276 -7.845 1.00 61.14 H new ATOM 0 HG2 LYS A 44 6.313 -7.560 -9.633 1.00 22.55 H new ATOM 0 HG3 LYS A 44 7.259 -6.459 -8.652 1.00 22.55 H new ATOM 0 HD2 LYS A 44 8.233 -9.204 -9.536 1.00 13.00 H new ATOM 0 HD3 LYS A 44 8.584 -7.720 -10.399 1.00 13.00 H new ATOM 0 HE2 LYS A 44 9.451 -6.879 -8.045 1.00 41.13 H new ATOM 0 HE3 LYS A 44 9.530 -8.588 -7.667 1.00 41.13 H new ATOM 0 HZ1 LYS A 44 11.628 -7.787 -8.538 1.00 32.34 H new ATOM 0 HZ2 LYS A 44 10.954 -8.924 -9.604 1.00 32.34 H new ATOM 0 HZ3 LYS A 44 10.878 -7.268 -9.971 1.00 32.34 H new ATOM 685 N GLN A 45 5.031 -8.419 -4.747 1.00 14.50 N ATOM 686 CA GLN A 45 4.509 -9.286 -3.698 1.00 55.44 C ATOM 687 C GLN A 45 3.072 -8.915 -3.349 1.00 24.15 C ATOM 688 O GLN A 45 2.257 -9.781 -3.031 1.00 32.33 O ATOM 689 CB GLN A 45 5.388 -9.195 -2.449 1.00 4.41 C ATOM 690 CG GLN A 45 5.143 -10.316 -1.450 1.00 12.23 C ATOM 691 CD GLN A 45 6.105 -11.474 -1.624 1.00 1.41 C ATOM 692 OE1 GLN A 45 7.041 -11.641 -0.840 1.00 34.43 O ATOM 693 NE2 GLN A 45 5.879 -12.282 -2.652 1.00 75.44 N ATOM 0 H GLN A 45 5.638 -7.670 -4.413 1.00 14.50 H new ATOM 0 HA GLN A 45 4.520 -10.311 -4.070 1.00 55.44 H new ATOM 0 HB2 GLN A 45 6.436 -9.210 -2.750 1.00 4.41 H new ATOM 0 HB3 GLN A 45 5.211 -8.238 -1.959 1.00 4.41 H new ATOM 0 HG2 GLN A 45 5.234 -9.922 -0.438 1.00 12.23 H new ATOM 0 HG3 GLN A 45 4.121 -10.678 -1.560 1.00 12.23 H new ATOM 0 HE21 GLN A 45 5.092 -12.106 -3.276 1.00 75.44 H new ATOM 0 HE22 GLN A 45 6.493 -13.080 -2.818 1.00 75.44 H new ATOM 700 N MET A 46 2.767 -7.623 -3.411 1.00 33.13 N ATOM 701 CA MET A 46 1.427 -7.138 -3.103 1.00 1.32 C ATOM 702 C MET A 46 0.657 -6.818 -4.380 1.00 32.45 C ATOM 703 O MET A 46 -0.461 -6.304 -4.331 1.00 72.23 O ATOM 704 CB MET A 46 1.502 -5.895 -2.214 1.00 10.13 C ATOM 705 CG MET A 46 2.258 -6.122 -0.915 1.00 64.02 C ATOM 706 SD MET A 46 1.519 -7.414 0.102 1.00 1.24 S ATOM 707 CE MET A 46 2.665 -8.762 -0.175 1.00 73.13 C ATOM 0 H MET A 46 3.430 -6.893 -3.672 1.00 33.13 H new ATOM 0 HA MET A 46 0.897 -7.927 -2.568 1.00 1.32 H new ATOM 0 HB2 MET A 46 1.983 -5.090 -2.769 1.00 10.13 H new ATOM 0 HB3 MET A 46 0.490 -5.562 -1.983 1.00 10.13 H new ATOM 0 HG2 MET A 46 3.290 -6.389 -1.142 1.00 64.02 H new ATOM 0 HG3 MET A 46 2.287 -5.191 -0.349 1.00 64.02 H new ATOM 0 HE1 MET A 46 2.175 -9.542 -0.758 1.00 73.13 H new ATOM 0 HE2 MET A 46 3.535 -8.394 -0.719 1.00 73.13 H new ATOM 0 HE3 MET A 46 2.983 -9.172 0.784 1.00 73.13 H new ATOM 715 N TYR A 47 1.263 -7.123 -5.523 1.00 2.52 N ATOM 716 CA TYR A 47 0.636 -6.865 -6.814 1.00 3.51 C ATOM 717 C TYR A 47 1.450 -7.481 -7.948 1.00 0.34 C ATOM 718 O TYR A 47 2.463 -6.926 -8.372 1.00 12.44 O ATOM 719 CB TYR A 47 0.484 -5.360 -7.038 1.00 53.12 C ATOM 720 CG TYR A 47 -0.823 -4.974 -7.694 1.00 71.10 C ATOM 721 CD1 TYR A 47 -2.039 -5.368 -7.150 1.00 65.33 C ATOM 722 CD2 TYR A 47 -0.841 -4.215 -8.857 1.00 33.22 C ATOM 723 CE1 TYR A 47 -3.235 -5.019 -7.747 1.00 44.14 C ATOM 724 CE2 TYR A 47 -2.032 -3.859 -9.460 1.00 51.32 C ATOM 725 CZ TYR A 47 -3.227 -4.264 -8.901 1.00 72.35 C ATOM 726 OH TYR A 47 -4.416 -3.912 -9.498 1.00 4.30 O ATOM 0 H TYR A 47 2.188 -7.549 -5.581 1.00 2.52 H new ATOM 0 HA TYR A 47 -0.352 -7.326 -6.809 1.00 3.51 H new ATOM 0 HB2 TYR A 47 0.564 -4.849 -6.079 1.00 53.12 H new ATOM 0 HB3 TYR A 47 1.309 -5.008 -7.657 1.00 53.12 H new ATOM 0 HD1 TYR A 47 -2.050 -5.957 -6.245 1.00 65.33 H new ATOM 0 HD2 TYR A 47 0.092 -3.897 -9.298 1.00 33.22 H new ATOM 0 HE1 TYR A 47 -4.171 -5.336 -7.312 1.00 44.14 H new ATOM 0 HE2 TYR A 47 -2.028 -3.267 -10.363 1.00 51.32 H new ATOM 0 HH TYR A 47 -4.767 -4.675 -10.002 1.00 4.30 H new ATOM 735 N ASP A 48 0.997 -8.632 -8.434 1.00 74.31 N ATOM 736 CA ASP A 48 1.681 -9.323 -9.521 1.00 40.31 C ATOM 737 C ASP A 48 1.058 -8.970 -10.867 1.00 4.01 C ATOM 738 O ASP A 48 0.135 -9.639 -11.330 1.00 24.54 O ATOM 739 CB ASP A 48 1.631 -10.836 -9.302 1.00 25.15 C ATOM 740 CG ASP A 48 2.189 -11.611 -10.480 1.00 54.13 C ATOM 741 OD1 ASP A 48 3.429 -11.705 -10.593 1.00 25.32 O ATOM 742 OD2 ASP A 48 1.386 -12.122 -11.288 1.00 31.10 O ATOM 0 H ASP A 48 0.160 -9.105 -8.093 1.00 74.31 H new ATOM 0 HA ASP A 48 2.722 -8.999 -9.527 1.00 40.31 H new ATOM 0 HB2 ASP A 48 2.195 -11.089 -8.404 1.00 25.15 H new ATOM 0 HB3 ASP A 48 0.599 -11.141 -9.126 1.00 25.15 H new ATOM 746 N GLY A 49 1.567 -7.912 -11.490 1.00 20.54 N ATOM 747 CA GLY A 49 1.048 -7.488 -12.777 1.00 32.33 C ATOM 748 C GLY A 49 -0.108 -6.516 -12.644 1.00 1.23 C ATOM 749 O GLY A 49 0.095 -5.306 -12.560 1.00 44.44 O ATOM 0 H GLY A 49 2.330 -7.341 -11.126 1.00 20.54 H new ATOM 0 HA2 GLY A 49 1.848 -7.020 -13.352 1.00 32.33 H new ATOM 0 HA3 GLY A 49 0.721 -8.362 -13.339 1.00 32.33 H new ATOM 753 N ASN A 50 -1.327 -7.048 -12.627 1.00 43.20 N ATOM 754 CA ASN A 50 -2.521 -6.219 -12.505 1.00 54.20 C ATOM 755 C ASN A 50 -3.366 -6.654 -11.312 1.00 2.31 C ATOM 756 O ASN A 50 -4.382 -6.035 -10.999 1.00 61.54 O ATOM 757 CB ASN A 50 -3.352 -6.294 -13.787 1.00 74.13 C ATOM 758 CG ASN A 50 -2.729 -5.508 -14.926 1.00 3.14 C ATOM 759 OD1 ASN A 50 -2.542 -4.295 -14.828 1.00 3.13 O ATOM 760 ND2 ASN A 50 -2.407 -6.198 -16.014 1.00 15.32 N ATOM 0 H ASN A 50 -1.513 -8.048 -12.696 1.00 43.20 H new ATOM 0 HA ASN A 50 -2.203 -5.189 -12.346 1.00 54.20 H new ATOM 0 HB2 ASN A 50 -3.461 -7.337 -14.086 1.00 74.13 H new ATOM 0 HB3 ASN A 50 -4.354 -5.912 -13.591 1.00 74.13 H new ATOM 0 HD21 ASN A 50 -1.986 -5.723 -16.813 1.00 15.32 H new ATOM 0 HD22 ASN A 50 -2.580 -7.203 -16.051 1.00 15.32 H new ATOM 766 N ASN A 51 -2.937 -7.724 -10.649 1.00 12.22 N ATOM 767 CA ASN A 51 -3.655 -8.243 -9.490 1.00 54.02 C ATOM 768 C ASN A 51 -2.710 -8.997 -8.559 1.00 4.33 C ATOM 769 O ASN A 51 -1.601 -9.365 -8.947 1.00 23.20 O ATOM 770 CB ASN A 51 -4.792 -9.164 -9.939 1.00 43.35 C ATOM 771 CG ASN A 51 -4.297 -10.325 -10.780 1.00 41.20 C ATOM 772 OD1 ASN A 51 -3.377 -11.042 -10.388 1.00 61.24 O ATOM 773 ND2 ASN A 51 -4.909 -10.516 -11.943 1.00 54.32 N ATOM 0 H ASN A 51 -2.097 -8.248 -10.894 1.00 12.22 H new ATOM 0 HA ASN A 51 -4.076 -7.398 -8.945 1.00 54.02 H new ATOM 0 HB2 ASN A 51 -5.312 -9.550 -9.062 1.00 43.35 H new ATOM 0 HB3 ASN A 51 -5.518 -8.588 -10.512 1.00 43.35 H new ATOM 0 HD21 ASN A 51 -4.621 -11.282 -12.551 1.00 54.32 H new ATOM 0 HD22 ASN A 51 -5.668 -9.896 -12.228 1.00 54.32 H new ATOM 779 N LEU A 52 -3.158 -9.225 -7.330 1.00 5.41 N ATOM 780 CA LEU A 52 -2.354 -9.937 -6.342 1.00 12.10 C ATOM 781 C LEU A 52 -1.792 -11.228 -6.927 1.00 72.45 C ATOM 782 O LEU A 52 -2.347 -11.789 -7.871 1.00 34.24 O ATOM 783 CB LEU A 52 -3.193 -10.249 -5.101 1.00 12.23 C ATOM 784 CG LEU A 52 -3.863 -9.052 -4.426 1.00 11.34 C ATOM 785 CD1 LEU A 52 -3.070 -7.780 -4.684 1.00 50.41 C ATOM 786 CD2 LEU A 52 -5.296 -8.897 -4.915 1.00 70.23 C ATOM 0 H LEU A 52 -4.074 -8.927 -6.993 1.00 5.41 H new ATOM 0 HA LEU A 52 -1.520 -9.295 -6.057 1.00 12.10 H new ATOM 0 HB2 LEU A 52 -3.967 -10.963 -5.381 1.00 12.23 H new ATOM 0 HB3 LEU A 52 -2.553 -10.742 -4.369 1.00 12.23 H new ATOM 0 HG LEU A 52 -3.884 -9.231 -3.351 1.00 11.34 H new ATOM 0 HD11 LEU A 52 -3.562 -6.939 -4.196 1.00 50.41 H new ATOM 0 HD12 LEU A 52 -2.062 -7.892 -4.284 1.00 50.41 H new ATOM 0 HD13 LEU A 52 -3.016 -7.596 -5.757 1.00 50.41 H new ATOM 0 HD21 LEU A 52 -5.757 -8.040 -4.424 1.00 70.23 H new ATOM 0 HD22 LEU A 52 -5.297 -8.741 -5.994 1.00 70.23 H new ATOM 0 HD23 LEU A 52 -5.861 -9.799 -4.678 1.00 70.23 H new ATOM 797 N PHE A 53 -0.685 -11.697 -6.357 1.00 31.33 N ATOM 798 CA PHE A 53 -0.047 -12.923 -6.821 1.00 4.33 C ATOM 799 C PHE A 53 -0.795 -14.152 -6.310 1.00 74.12 C ATOM 800 O PHE A 53 -1.365 -14.915 -7.089 1.00 0.01 O ATOM 801 CB PHE A 53 1.410 -12.970 -6.360 1.00 71.53 C ATOM 802 CG PHE A 53 2.163 -14.165 -6.874 1.00 14.20 C ATOM 803 CD1 PHE A 53 2.044 -15.397 -6.250 1.00 34.23 C ATOM 804 CD2 PHE A 53 2.991 -14.055 -7.979 1.00 63.53 C ATOM 805 CE1 PHE A 53 2.735 -16.497 -6.721 1.00 3.52 C ATOM 806 CE2 PHE A 53 3.684 -15.153 -8.454 1.00 71.25 C ATOM 807 CZ PHE A 53 3.557 -16.375 -7.823 1.00 21.22 C ATOM 0 H PHE A 53 -0.212 -11.246 -5.574 1.00 31.33 H new ATOM 0 HA PHE A 53 -0.076 -12.929 -7.911 1.00 4.33 H new ATOM 0 HB2 PHE A 53 1.916 -12.062 -6.689 1.00 71.53 H new ATOM 0 HB3 PHE A 53 1.438 -12.974 -5.270 1.00 71.53 H new ATOM 0 HD1 PHE A 53 1.404 -15.498 -5.386 1.00 34.23 H new ATOM 0 HD2 PHE A 53 3.096 -13.101 -8.475 1.00 63.53 H new ATOM 0 HE1 PHE A 53 2.632 -17.452 -6.227 1.00 3.52 H new ATOM 0 HE2 PHE A 53 4.324 -15.055 -9.318 1.00 71.25 H new ATOM 0 HZ PHE A 53 4.100 -17.233 -8.191 1.00 21.22 H new ATOM 816 N LYS A 54 -0.785 -14.338 -4.995 1.00 53.23 N ATOM 817 CA LYS A 54 -1.461 -15.472 -4.376 1.00 35.43 C ATOM 818 C LYS A 54 -2.922 -15.143 -4.087 1.00 50.52 C ATOM 819 O LYS A 54 -3.826 -15.846 -4.534 1.00 11.50 O ATOM 820 CB LYS A 54 -0.750 -15.871 -3.081 1.00 23.20 C ATOM 821 CG LYS A 54 -1.363 -17.082 -2.400 1.00 44.51 C ATOM 822 CD LYS A 54 -0.461 -17.621 -1.303 1.00 42.04 C ATOM 823 CE LYS A 54 0.408 -18.764 -1.806 1.00 21.44 C ATOM 824 NZ LYS A 54 1.340 -19.257 -0.755 1.00 60.22 N ATOM 0 H LYS A 54 -0.315 -13.717 -4.336 1.00 53.23 H new ATOM 0 HA LYS A 54 -1.427 -16.309 -5.074 1.00 35.43 H new ATOM 0 HB2 LYS A 54 0.297 -16.079 -3.300 1.00 23.20 H new ATOM 0 HB3 LYS A 54 -0.770 -15.028 -2.391 1.00 23.20 H new ATOM 0 HG2 LYS A 54 -2.330 -16.812 -1.977 1.00 44.51 H new ATOM 0 HG3 LYS A 54 -1.545 -17.863 -3.139 1.00 44.51 H new ATOM 0 HD2 LYS A 54 0.174 -16.819 -0.926 1.00 42.04 H new ATOM 0 HD3 LYS A 54 -1.070 -17.966 -0.467 1.00 42.04 H new ATOM 0 HE2 LYS A 54 -0.228 -19.584 -2.141 1.00 21.44 H new ATOM 0 HE3 LYS A 54 0.981 -18.431 -2.672 1.00 21.44 H new ATOM 0 HZ1 LYS A 54 1.914 -20.035 -1.137 1.00 60.22 H new ATOM 0 HZ2 LYS A 54 1.964 -18.482 -0.453 1.00 60.22 H new ATOM 0 HZ3 LYS A 54 0.793 -19.599 0.061 1.00 60.22 H new ATOM 834 N ASN A 55 -3.144 -14.069 -3.336 1.00 11.33 N ATOM 835 CA ASN A 55 -4.496 -13.646 -2.988 1.00 54.52 C ATOM 836 C ASN A 55 -4.475 -12.669 -1.815 1.00 30.01 C ATOM 837 O ASN A 55 -5.217 -12.830 -0.846 1.00 34.13 O ATOM 838 CB ASN A 55 -5.358 -14.861 -2.639 1.00 11.40 C ATOM 839 CG ASN A 55 -6.360 -15.190 -3.728 1.00 42.32 C ATOM 840 OD1 ASN A 55 -6.817 -14.307 -4.454 1.00 44.20 O ATOM 841 ND2 ASN A 55 -6.707 -16.466 -3.846 1.00 43.22 N ATOM 0 H ASN A 55 -2.406 -13.476 -2.957 1.00 11.33 H new ATOM 0 HA ASN A 55 -4.926 -13.140 -3.852 1.00 54.52 H new ATOM 0 HB2 ASN A 55 -4.714 -15.724 -2.469 1.00 11.40 H new ATOM 0 HB3 ASN A 55 -5.889 -14.671 -1.706 1.00 11.40 H new ATOM 0 HD21 ASN A 55 -7.378 -16.748 -4.561 1.00 43.22 H new ATOM 0 HD22 ASN A 55 -6.303 -17.164 -3.222 1.00 43.22 H new ATOM 847 N VAL A 56 -3.620 -11.656 -1.912 1.00 13.40 N ATOM 848 CA VAL A 56 -3.503 -10.652 -0.861 1.00 52.51 C ATOM 849 C VAL A 56 -4.778 -9.821 -0.750 1.00 63.53 C ATOM 850 O VAL A 56 -5.387 -9.464 -1.759 1.00 73.13 O ATOM 851 CB VAL A 56 -2.311 -9.711 -1.114 1.00 72.33 C ATOM 852 CG1 VAL A 56 -2.001 -8.894 0.132 1.00 22.32 C ATOM 853 CG2 VAL A 56 -1.091 -10.504 -1.557 1.00 23.23 C ATOM 0 H VAL A 56 -2.998 -11.509 -2.707 1.00 13.40 H new ATOM 0 HA VAL A 56 -3.340 -11.189 0.073 1.00 52.51 H new ATOM 0 HB VAL A 56 -2.579 -9.022 -1.915 1.00 72.33 H new ATOM 0 HG11 VAL A 56 -1.156 -8.235 -0.066 1.00 22.32 H new ATOM 0 HG12 VAL A 56 -2.872 -8.296 0.401 1.00 22.32 H new ATOM 0 HG13 VAL A 56 -1.753 -9.565 0.955 1.00 22.32 H new ATOM 0 HG21 VAL A 56 -0.258 -9.823 -1.731 1.00 23.23 H new ATOM 0 HG22 VAL A 56 -0.819 -11.218 -0.780 1.00 23.23 H new ATOM 0 HG23 VAL A 56 -1.320 -11.040 -2.478 1.00 23.23 H new ATOM 863 N ILE A 57 -5.174 -9.517 0.481 1.00 22.13 N ATOM 864 CA ILE A 57 -6.375 -8.727 0.723 1.00 22.12 C ATOM 865 C ILE A 57 -6.052 -7.466 1.515 1.00 34.41 C ATOM 866 O ILE A 57 -5.757 -7.528 2.710 1.00 22.45 O ATOM 867 CB ILE A 57 -7.439 -9.540 1.484 1.00 11.45 C ATOM 868 CG1 ILE A 57 -7.784 -10.816 0.715 1.00 45.12 C ATOM 869 CG2 ILE A 57 -8.686 -8.698 1.710 1.00 32.32 C ATOM 870 CD1 ILE A 57 -7.703 -12.070 1.559 1.00 2.53 C ATOM 0 H ILE A 57 -4.681 -9.806 1.326 1.00 22.13 H new ATOM 0 HA ILE A 57 -6.772 -8.448 -0.253 1.00 22.12 H new ATOM 0 HB ILE A 57 -7.033 -9.823 2.455 1.00 11.45 H new ATOM 0 HG12 ILE A 57 -8.792 -10.725 0.309 1.00 45.12 H new ATOM 0 HG13 ILE A 57 -7.106 -10.914 -0.133 1.00 45.12 H new ATOM 0 HG21 ILE A 57 -9.429 -9.286 2.249 1.00 32.32 H new ATOM 0 HG22 ILE A 57 -8.428 -7.815 2.295 1.00 32.32 H new ATOM 0 HG23 ILE A 57 -9.096 -8.389 0.748 1.00 32.32 H new ATOM 0 HD11 ILE A 57 -7.960 -12.936 0.949 1.00 2.53 H new ATOM 0 HD12 ILE A 57 -6.690 -12.185 1.944 1.00 2.53 H new ATOM 0 HD13 ILE A 57 -8.401 -11.993 2.393 1.00 2.53 H new ATOM 881 N ILE A 58 -6.111 -6.320 0.842 1.00 51.43 N ATOM 882 CA ILE A 58 -5.827 -5.043 1.485 1.00 2.55 C ATOM 883 C ILE A 58 -7.005 -4.084 1.345 1.00 50.54 C ATOM 884 O ILE A 58 -7.594 -3.960 0.271 1.00 0.35 O ATOM 885 CB ILE A 58 -4.568 -4.382 0.893 1.00 0.44 C ATOM 886 CG1 ILE A 58 -4.619 -2.866 1.094 1.00 14.24 C ATOM 887 CG2 ILE A 58 -4.437 -4.721 -0.585 1.00 4.54 C ATOM 888 CD1 ILE A 58 -3.301 -2.176 0.822 1.00 62.51 C ATOM 0 H ILE A 58 -6.353 -6.251 -0.147 1.00 51.43 H new ATOM 0 HA ILE A 58 -5.655 -5.252 2.541 1.00 2.55 H new ATOM 0 HB ILE A 58 -3.693 -4.770 1.414 1.00 0.44 H new ATOM 0 HG12 ILE A 58 -5.382 -2.446 0.438 1.00 14.24 H new ATOM 0 HG13 ILE A 58 -4.927 -2.653 2.118 1.00 14.24 H new ATOM 0 HG21 ILE A 58 -3.543 -4.247 -0.989 1.00 4.54 H new ATOM 0 HG22 ILE A 58 -4.360 -5.802 -0.705 1.00 4.54 H new ATOM 0 HG23 ILE A 58 -5.314 -4.358 -1.121 1.00 4.54 H new ATOM 0 HD11 ILE A 58 -3.411 -1.104 0.984 1.00 62.51 H new ATOM 0 HD12 ILE A 58 -2.539 -2.568 1.495 1.00 62.51 H new ATOM 0 HD13 ILE A 58 -3.001 -2.358 -0.210 1.00 62.51 H new ATOM 899 N LEU A 59 -7.342 -3.407 2.437 1.00 32.45 N ATOM 900 CA LEU A 59 -8.449 -2.456 2.436 1.00 43.32 C ATOM 901 C LEU A 59 -7.995 -1.093 2.948 1.00 31.03 C ATOM 902 O LEU A 59 -6.952 -0.974 3.590 1.00 43.21 O ATOM 903 CB LEU A 59 -9.598 -2.981 3.299 1.00 51.43 C ATOM 904 CG LEU A 59 -10.477 -4.059 2.663 1.00 14.51 C ATOM 905 CD1 LEU A 59 -11.454 -4.622 3.684 1.00 34.03 C ATOM 906 CD2 LEU A 59 -11.222 -3.497 1.461 1.00 11.44 C ATOM 0 H LEU A 59 -6.865 -3.498 3.334 1.00 32.45 H new ATOM 0 HA LEU A 59 -8.797 -2.341 1.409 1.00 43.32 H new ATOM 0 HB2 LEU A 59 -9.179 -3.380 4.223 1.00 51.43 H new ATOM 0 HB3 LEU A 59 -10.233 -2.139 3.575 1.00 51.43 H new ATOM 0 HG LEU A 59 -9.835 -4.870 2.321 1.00 14.51 H new ATOM 0 HD11 LEU A 59 -12.071 -5.388 3.214 1.00 34.03 H new ATOM 0 HD12 LEU A 59 -10.900 -5.062 4.514 1.00 34.03 H new ATOM 0 HD13 LEU A 59 -12.092 -3.821 4.058 1.00 34.03 H new ATOM 0 HD21 LEU A 59 -11.843 -4.277 1.020 1.00 11.44 H new ATOM 0 HD22 LEU A 59 -11.853 -2.668 1.780 1.00 11.44 H new ATOM 0 HD23 LEU A 59 -10.504 -3.143 0.721 1.00 11.44 H new ATOM 917 N VAL A 60 -8.788 -0.065 2.659 1.00 44.40 N ATOM 918 CA VAL A 60 -8.470 1.291 3.093 1.00 25.23 C ATOM 919 C VAL A 60 -9.676 1.955 3.748 1.00 65.01 C ATOM 920 O VAL A 60 -10.793 1.878 3.239 1.00 24.03 O ATOM 921 CB VAL A 60 -7.997 2.160 1.913 1.00 21.01 C ATOM 922 CG1 VAL A 60 -9.147 2.435 0.957 1.00 64.31 C ATOM 923 CG2 VAL A 60 -7.392 3.461 2.420 1.00 5.34 C ATOM 0 H VAL A 60 -9.654 -0.145 2.127 1.00 44.40 H new ATOM 0 HA VAL A 60 -7.663 1.210 3.822 1.00 25.23 H new ATOM 0 HB VAL A 60 -7.226 1.614 1.368 1.00 21.01 H new ATOM 0 HG11 VAL A 60 -8.793 3.050 0.130 1.00 64.31 H new ATOM 0 HG12 VAL A 60 -9.531 1.492 0.569 1.00 64.31 H new ATOM 0 HG13 VAL A 60 -9.942 2.960 1.486 1.00 64.31 H new ATOM 0 HG21 VAL A 60 -7.063 4.063 1.573 1.00 5.34 H new ATOM 0 HG22 VAL A 60 -8.140 4.013 2.989 1.00 5.34 H new ATOM 0 HG23 VAL A 60 -6.539 3.240 3.061 1.00 5.34 H new ATOM 933 N ASN A 61 -9.442 2.608 4.882 1.00 71.03 N ATOM 934 CA ASN A 61 -10.509 3.287 5.608 1.00 2.34 C ATOM 935 C ASN A 61 -11.665 2.332 5.892 1.00 32.04 C ATOM 936 O ASN A 61 -12.814 2.753 6.024 1.00 75.22 O ATOM 937 CB ASN A 61 -11.012 4.491 4.809 1.00 44.41 C ATOM 938 CG ASN A 61 -11.756 5.489 5.675 1.00 61.14 C ATOM 939 OD1 ASN A 61 -11.567 5.535 6.891 1.00 52.12 O ATOM 940 ND2 ASN A 61 -12.607 6.295 5.051 1.00 74.44 N ATOM 0 H ASN A 61 -8.523 2.681 5.318 1.00 71.03 H new ATOM 0 HA ASN A 61 -10.105 3.634 6.559 1.00 2.34 H new ATOM 0 HB2 ASN A 61 -10.166 4.987 4.333 1.00 44.41 H new ATOM 0 HB3 ASN A 61 -11.669 4.145 4.011 1.00 44.41 H new ATOM 0 HD21 ASN A 61 -13.136 6.988 5.581 1.00 74.44 H new ATOM 0 HD22 ASN A 61 -12.732 6.222 4.041 1.00 74.44 H new ATOM 946 N GLY A 62 -11.353 1.044 5.987 1.00 70.23 N ATOM 947 CA GLY A 62 -12.376 0.049 6.256 1.00 74.42 C ATOM 948 C GLY A 62 -13.295 -0.172 5.071 1.00 31.42 C ATOM 949 O GLY A 62 -14.504 -0.328 5.236 1.00 22.02 O ATOM 0 H GLY A 62 -10.410 0.671 5.883 1.00 70.23 H new ATOM 0 HA2 GLY A 62 -11.900 -0.894 6.523 1.00 74.42 H new ATOM 0 HA3 GLY A 62 -12.967 0.363 7.117 1.00 74.42 H new ATOM 953 N ASN A 63 -12.720 -0.183 3.872 1.00 15.03 N ATOM 954 CA ASN A 63 -13.497 -0.383 2.654 1.00 44.54 C ATOM 955 C ASN A 63 -12.583 -0.494 1.438 1.00 53.12 C ATOM 956 O ASN A 63 -11.506 0.100 1.403 1.00 23.04 O ATOM 957 CB ASN A 63 -14.487 0.767 2.460 1.00 1.20 C ATOM 958 CG ASN A 63 -15.405 0.546 1.273 1.00 42.24 C ATOM 959 OD1 ASN A 63 -15.128 1.009 0.166 1.00 50.50 O ATOM 960 ND2 ASN A 63 -16.503 -0.165 1.499 1.00 0.22 N ATOM 0 H ASN A 63 -11.720 -0.056 3.718 1.00 15.03 H new ATOM 0 HA ASN A 63 -14.051 -1.316 2.756 1.00 44.54 H new ATOM 0 HB2 ASN A 63 -15.087 0.883 3.363 1.00 1.20 H new ATOM 0 HB3 ASN A 63 -13.936 1.697 2.322 1.00 1.20 H new ATOM 0 HD21 ASN A 63 -17.158 -0.347 0.739 1.00 0.22 H new ATOM 0 HD22 ASN A 63 -16.692 -0.529 2.433 1.00 0.22 H new ATOM 966 N ASN A 64 -13.022 -1.257 0.442 1.00 52.21 N ATOM 967 CA ASN A 64 -12.243 -1.445 -0.777 1.00 1.44 C ATOM 968 C ASN A 64 -12.348 -0.222 -1.683 1.00 53.10 C ATOM 969 O ASN A 64 -13.401 0.409 -1.772 1.00 71.31 O ATOM 970 CB ASN A 64 -12.722 -2.691 -1.525 1.00 72.41 C ATOM 971 CG ASN A 64 -14.231 -2.735 -1.667 1.00 3.42 C ATOM 972 OD1 ASN A 64 -14.954 -2.882 -0.681 1.00 64.32 O ATOM 973 ND2 ASN A 64 -14.714 -2.610 -2.898 1.00 51.44 N ATOM 0 H ASN A 64 -13.912 -1.755 0.455 1.00 52.21 H new ATOM 0 HA ASN A 64 -11.198 -1.578 -0.495 1.00 1.44 H new ATOM 0 HB2 ASN A 64 -12.266 -2.715 -2.515 1.00 72.41 H new ATOM 0 HB3 ASN A 64 -12.383 -3.582 -0.996 1.00 72.41 H new ATOM 0 HD21 ASN A 64 -15.721 -2.634 -3.055 1.00 51.44 H new ATOM 0 HD22 ASN A 64 -14.077 -2.490 -3.686 1.00 51.44 H new ATOM 979 N ILE A 65 -11.248 0.107 -2.353 1.00 44.33 N ATOM 980 CA ILE A 65 -11.216 1.252 -3.253 1.00 11.44 C ATOM 981 C ILE A 65 -11.937 0.944 -4.561 1.00 64.02 C ATOM 982 O ILE A 65 -12.436 1.845 -5.237 1.00 41.33 O ATOM 983 CB ILE A 65 -9.771 1.684 -3.566 1.00 3.51 C ATOM 984 CG1 ILE A 65 -9.010 0.542 -4.243 1.00 2.32 C ATOM 985 CG2 ILE A 65 -9.061 2.117 -2.291 1.00 31.23 C ATOM 986 CD1 ILE A 65 -7.565 0.873 -4.543 1.00 51.11 C ATOM 0 H ILE A 65 -10.367 -0.404 -2.289 1.00 44.33 H new ATOM 0 HA ILE A 65 -11.727 2.068 -2.742 1.00 11.44 H new ATOM 0 HB ILE A 65 -9.800 2.532 -4.250 1.00 3.51 H new ATOM 0 HG12 ILE A 65 -9.047 -0.339 -3.602 1.00 2.32 H new ATOM 0 HG13 ILE A 65 -9.515 0.281 -5.173 1.00 2.32 H new ATOM 0 HG21 ILE A 65 -8.041 2.420 -2.527 1.00 31.23 H new ATOM 0 HG22 ILE A 65 -9.594 2.956 -1.845 1.00 31.23 H new ATOM 0 HG23 ILE A 65 -9.039 1.285 -1.587 1.00 31.23 H new ATOM 0 HD11 ILE A 65 -7.088 0.018 -5.022 1.00 51.11 H new ATOM 0 HD12 ILE A 65 -7.520 1.734 -5.209 1.00 51.11 H new ATOM 0 HD13 ILE A 65 -7.044 1.105 -3.614 1.00 51.11 H new ATOM 997 N THR A 66 -11.990 -0.336 -4.914 1.00 63.12 N ATOM 998 CA THR A 66 -12.649 -0.765 -6.141 1.00 42.44 C ATOM 999 C THR A 66 -14.137 -0.434 -6.110 1.00 3.31 C ATOM 1000 O THR A 66 -14.763 -0.248 -7.153 1.00 54.31 O ATOM 1001 CB THR A 66 -12.477 -2.278 -6.372 1.00 44.13 C ATOM 1002 OG1 THR A 66 -12.877 -3.002 -5.204 1.00 41.50 O ATOM 1003 CG2 THR A 66 -11.032 -2.613 -6.712 1.00 54.43 C ATOM 0 H THR A 66 -11.584 -1.095 -4.367 1.00 63.12 H new ATOM 0 HA THR A 66 -12.175 -0.224 -6.960 1.00 42.44 H new ATOM 0 HB THR A 66 -13.108 -2.568 -7.212 1.00 44.13 H new ATOM 0 HG1 THR A 66 -12.766 -3.963 -5.361 1.00 41.50 H new ATOM 0 HG21 THR A 66 -10.935 -3.687 -6.871 1.00 54.43 H new ATOM 0 HG22 THR A 66 -10.740 -2.084 -7.619 1.00 54.43 H new ATOM 0 HG23 THR A 66 -10.385 -2.308 -5.890 1.00 54.43 H new ATOM 1011 N SER A 67 -14.697 -0.360 -4.906 1.00 62.02 N ATOM 1012 CA SER A 67 -16.113 -0.054 -4.739 1.00 72.21 C ATOM 1013 C SER A 67 -16.500 1.181 -5.547 1.00 62.10 C ATOM 1014 O SER A 67 -17.519 1.191 -6.237 1.00 42.53 O ATOM 1015 CB SER A 67 -16.438 0.166 -3.261 1.00 53.31 C ATOM 1016 OG SER A 67 -17.562 1.015 -3.107 1.00 21.13 O ATOM 0 H SER A 67 -14.192 -0.508 -4.032 1.00 62.02 H new ATOM 0 HA SER A 67 -16.689 -0.903 -5.107 1.00 72.21 H new ATOM 0 HB2 SER A 67 -16.634 -0.793 -2.782 1.00 53.31 H new ATOM 0 HB3 SER A 67 -15.576 0.603 -2.757 1.00 53.31 H new ATOM 0 HG SER A 67 -17.750 1.139 -2.153 1.00 21.13 H new ATOM 1021 N MET A 68 -15.679 2.222 -5.454 1.00 51.34 N ATOM 1022 CA MET A 68 -15.934 3.463 -6.176 1.00 61.43 C ATOM 1023 C MET A 68 -14.788 3.782 -7.131 1.00 55.43 C ATOM 1024 O MET A 68 -14.902 3.590 -8.341 1.00 71.13 O ATOM 1025 CB MET A 68 -16.132 4.619 -5.193 1.00 43.23 C ATOM 1026 CG MET A 68 -15.551 4.349 -3.815 1.00 15.44 C ATOM 1027 SD MET A 68 -15.784 5.733 -2.681 1.00 23.20 S ATOM 1028 CE MET A 68 -16.775 4.960 -1.404 1.00 14.11 C ATOM 0 H MET A 68 -14.832 2.231 -4.886 1.00 51.34 H new ATOM 0 HA MET A 68 -16.845 3.333 -6.761 1.00 61.43 H new ATOM 0 HB2 MET A 68 -15.671 5.517 -5.603 1.00 43.23 H new ATOM 0 HB3 MET A 68 -17.198 4.824 -5.095 1.00 43.23 H new ATOM 0 HG2 MET A 68 -16.018 3.458 -3.396 1.00 15.44 H new ATOM 0 HG3 MET A 68 -14.486 4.136 -3.909 1.00 15.44 H new ATOM 0 HE1 MET A 68 -17.002 5.691 -0.628 1.00 14.11 H new ATOM 0 HE2 MET A 68 -17.704 4.591 -1.838 1.00 14.11 H new ATOM 0 HE3 MET A 68 -16.222 4.128 -0.968 1.00 14.11 H new ATOM 1036 N LYS A 69 -13.682 4.271 -6.578 1.00 2.25 N ATOM 1037 CA LYS A 69 -12.515 4.617 -7.379 1.00 62.41 C ATOM 1038 C LYS A 69 -11.297 3.807 -6.944 1.00 51.54 C ATOM 1039 O LYS A 69 -10.894 3.850 -5.782 1.00 0.20 O ATOM 1040 CB LYS A 69 -12.213 6.113 -7.262 1.00 5.51 C ATOM 1041 CG LYS A 69 -12.959 6.964 -8.275 1.00 4.11 C ATOM 1042 CD LYS A 69 -14.352 7.321 -7.785 1.00 1.53 C ATOM 1043 CE LYS A 69 -14.885 8.567 -8.477 1.00 64.30 C ATOM 1044 NZ LYS A 69 -16.197 8.995 -7.917 1.00 74.24 N ATOM 0 H LYS A 69 -13.571 4.436 -5.578 1.00 2.25 H new ATOM 0 HA LYS A 69 -12.737 4.378 -8.419 1.00 62.41 H new ATOM 0 HB2 LYS A 69 -12.470 6.450 -6.258 1.00 5.51 H new ATOM 0 HB3 LYS A 69 -11.142 6.270 -7.387 1.00 5.51 H new ATOM 0 HG2 LYS A 69 -12.396 7.877 -8.470 1.00 4.11 H new ATOM 0 HG3 LYS A 69 -13.032 6.426 -9.220 1.00 4.11 H new ATOM 0 HD2 LYS A 69 -15.028 6.485 -7.967 1.00 1.53 H new ATOM 0 HD3 LYS A 69 -14.329 7.484 -6.707 1.00 1.53 H new ATOM 0 HE2 LYS A 69 -14.164 9.377 -8.372 1.00 64.30 H new ATOM 0 HE3 LYS A 69 -14.992 8.372 -9.544 1.00 64.30 H new ATOM 0 HZ1 LYS A 69 -16.526 9.847 -8.415 1.00 74.24 H new ATOM 0 HZ2 LYS A 69 -16.893 8.232 -8.040 1.00 74.24 H new ATOM 0 HZ3 LYS A 69 -16.090 9.206 -6.904 1.00 74.24 H new ATOM 1054 N GLY A 70 -10.715 3.070 -7.885 1.00 53.13 N ATOM 1055 CA GLY A 70 -9.548 2.262 -7.578 1.00 53.00 C ATOM 1056 C GLY A 70 -8.409 3.083 -7.007 1.00 12.21 C ATOM 1057 O GLY A 70 -8.365 3.348 -5.805 1.00 23.10 O ATOM 0 H GLY A 70 -11.030 3.018 -8.854 1.00 53.13 H new ATOM 0 HA2 GLY A 70 -9.825 1.485 -6.865 1.00 53.00 H new ATOM 0 HA3 GLY A 70 -9.210 1.758 -8.484 1.00 53.00 H new ATOM 1061 N LEU A 71 -7.482 3.486 -7.870 1.00 40.33 N ATOM 1062 CA LEU A 71 -6.335 4.280 -7.444 1.00 30.31 C ATOM 1063 C LEU A 71 -6.739 5.729 -7.194 1.00 15.32 C ATOM 1064 O LEU A 71 -5.995 6.494 -6.580 1.00 32.02 O ATOM 1065 CB LEU A 71 -5.230 4.223 -8.501 1.00 63.12 C ATOM 1066 CG LEU A 71 -3.809 4.485 -8.001 1.00 50.22 C ATOM 1067 CD1 LEU A 71 -3.110 3.176 -7.670 1.00 71.14 C ATOM 1068 CD2 LEU A 71 -3.015 5.268 -9.037 1.00 13.23 C ATOM 0 H LEU A 71 -7.503 3.276 -8.868 1.00 40.33 H new ATOM 0 HA LEU A 71 -5.960 3.860 -6.511 1.00 30.31 H new ATOM 0 HB2 LEU A 71 -5.253 3.239 -8.969 1.00 63.12 H new ATOM 0 HB3 LEU A 71 -5.460 4.952 -9.278 1.00 63.12 H new ATOM 0 HG LEU A 71 -3.869 5.082 -7.091 1.00 50.22 H new ATOM 0 HD11 LEU A 71 -2.100 3.382 -7.316 1.00 71.14 H new ATOM 0 HD12 LEU A 71 -3.667 2.652 -6.893 1.00 71.14 H new ATOM 0 HD13 LEU A 71 -3.061 2.554 -8.563 1.00 71.14 H new ATOM 0 HD21 LEU A 71 -2.006 5.445 -8.664 1.00 13.23 H new ATOM 0 HD22 LEU A 71 -2.964 4.697 -9.964 1.00 13.23 H new ATOM 0 HD23 LEU A 71 -3.505 6.223 -9.226 1.00 13.23 H new ATOM 1079 N ASP A 72 -7.922 6.100 -7.671 1.00 24.21 N ATOM 1080 CA ASP A 72 -8.428 7.456 -7.496 1.00 52.15 C ATOM 1081 C ASP A 72 -9.069 7.624 -6.121 1.00 22.35 C ATOM 1082 O ASP A 72 -9.622 8.679 -5.806 1.00 24.11 O ATOM 1083 CB ASP A 72 -9.442 7.790 -8.590 1.00 15.04 C ATOM 1084 CG ASP A 72 -8.806 8.493 -9.774 1.00 74.11 C ATOM 1085 OD1 ASP A 72 -8.311 7.793 -10.682 1.00 52.41 O ATOM 1086 OD2 ASP A 72 -8.804 9.742 -9.792 1.00 70.21 O ATOM 0 H ASP A 72 -8.549 5.479 -8.183 1.00 24.21 H new ATOM 0 HA ASP A 72 -7.586 8.144 -7.570 1.00 52.15 H new ATOM 0 HB2 ASP A 72 -9.920 6.872 -8.931 1.00 15.04 H new ATOM 0 HB3 ASP A 72 -10.226 8.423 -8.174 1.00 15.04 H new ATOM 1090 N THR A 73 -8.993 6.576 -5.307 1.00 54.35 N ATOM 1091 CA THR A 73 -9.568 6.607 -3.967 1.00 65.54 C ATOM 1092 C THR A 73 -8.922 7.694 -3.116 1.00 60.41 C ATOM 1093 O THR A 73 -7.714 7.914 -3.188 1.00 54.14 O ATOM 1094 CB THR A 73 -9.406 5.250 -3.257 1.00 43.41 C ATOM 1095 OG1 THR A 73 -10.618 4.495 -3.360 1.00 22.02 O ATOM 1096 CG2 THR A 73 -9.049 5.447 -1.791 1.00 4.24 C ATOM 0 H THR A 73 -8.539 5.696 -5.552 1.00 54.35 H new ATOM 0 HA THR A 73 -10.630 6.825 -4.083 1.00 65.54 H new ATOM 0 HB THR A 73 -8.597 4.705 -3.743 1.00 43.41 H new ATOM 0 HG1 THR A 73 -10.894 4.446 -4.299 1.00 22.02 H new ATOM 0 HG21 THR A 73 -8.940 4.475 -1.309 1.00 4.24 H new ATOM 0 HG22 THR A 73 -8.111 5.997 -1.716 1.00 4.24 H new ATOM 0 HG23 THR A 73 -9.840 6.010 -1.296 1.00 4.24 H new ATOM 1104 N GLU A 74 -9.735 8.370 -2.311 1.00 21.21 N ATOM 1105 CA GLU A 74 -9.241 9.434 -1.446 1.00 33.22 C ATOM 1106 C GLU A 74 -9.029 8.926 -0.023 1.00 10.32 C ATOM 1107 O GLU A 74 -9.875 8.219 0.527 1.00 35.44 O ATOM 1108 CB GLU A 74 -10.219 10.611 -1.438 1.00 60.41 C ATOM 1109 CG GLU A 74 -10.004 11.575 -0.284 1.00 72.12 C ATOM 1110 CD GLU A 74 -10.120 13.026 -0.706 1.00 34.52 C ATOM 1111 OE1 GLU A 74 -11.142 13.384 -1.328 1.00 10.53 O ATOM 1112 OE2 GLU A 74 -9.189 13.806 -0.414 1.00 60.14 O ATOM 0 H GLU A 74 -10.738 8.200 -2.240 1.00 21.21 H new ATOM 0 HA GLU A 74 -8.282 9.770 -1.840 1.00 33.22 H new ATOM 0 HB2 GLU A 74 -10.126 11.156 -2.377 1.00 60.41 H new ATOM 0 HB3 GLU A 74 -11.238 10.225 -1.393 1.00 60.41 H new ATOM 0 HG2 GLU A 74 -10.735 11.369 0.498 1.00 72.12 H new ATOM 0 HG3 GLU A 74 -9.018 11.404 0.148 1.00 72.12 H new ATOM 1117 N ILE A 75 -7.896 9.290 0.566 1.00 42.22 N ATOM 1118 CA ILE A 75 -7.573 8.871 1.925 1.00 43.32 C ATOM 1119 C ILE A 75 -7.194 10.066 2.793 1.00 22.03 C ATOM 1120 O ILE A 75 -6.371 10.894 2.404 1.00 12.14 O ATOM 1121 CB ILE A 75 -6.418 7.852 1.941 1.00 22.22 C ATOM 1122 CG1 ILE A 75 -5.290 8.312 1.015 1.00 11.14 C ATOM 1123 CG2 ILE A 75 -6.920 6.476 1.530 1.00 11.13 C ATOM 1124 CD1 ILE A 75 -4.105 7.373 0.994 1.00 44.12 C ATOM 0 H ILE A 75 -7.186 9.874 0.124 1.00 42.22 H new ATOM 0 HA ILE A 75 -8.468 8.399 2.331 1.00 43.32 H new ATOM 0 HB ILE A 75 -6.025 7.786 2.956 1.00 22.22 H new ATOM 0 HG12 ILE A 75 -5.681 8.414 0.003 1.00 11.14 H new ATOM 0 HG13 ILE A 75 -4.954 9.301 1.328 1.00 11.14 H new ATOM 0 HG21 ILE A 75 -6.092 5.767 1.546 1.00 11.13 H new ATOM 0 HG22 ILE A 75 -7.693 6.148 2.225 1.00 11.13 H new ATOM 0 HG23 ILE A 75 -7.335 6.526 0.523 1.00 11.13 H new ATOM 0 HD11 ILE A 75 -3.345 7.762 0.317 1.00 44.12 H new ATOM 0 HD12 ILE A 75 -3.689 7.290 1.998 1.00 44.12 H new ATOM 0 HD13 ILE A 75 -4.426 6.389 0.652 1.00 44.12 H new ATOM 1135 N LYS A 76 -7.798 10.147 3.973 1.00 12.33 N ATOM 1136 CA LYS A 76 -7.523 11.239 4.901 1.00 24.11 C ATOM 1137 C LYS A 76 -6.777 10.732 6.131 1.00 13.45 C ATOM 1138 O LYS A 76 -6.575 9.529 6.295 1.00 22.41 O ATOM 1139 CB LYS A 76 -8.828 11.917 5.324 1.00 52.15 C ATOM 1140 CG LYS A 76 -9.949 10.939 5.632 1.00 72.11 C ATOM 1141 CD LYS A 76 -11.241 11.662 5.972 1.00 41.52 C ATOM 1142 CE LYS A 76 -11.155 12.350 7.326 1.00 5.34 C ATOM 1143 NZ LYS A 76 -10.749 13.777 7.199 1.00 61.22 N ATOM 0 H LYS A 76 -8.482 9.469 4.310 1.00 12.33 H new ATOM 0 HA LYS A 76 -6.892 11.967 4.391 1.00 24.11 H new ATOM 0 HB2 LYS A 76 -8.640 12.531 6.205 1.00 52.15 H new ATOM 0 HB3 LYS A 76 -9.152 12.590 4.530 1.00 52.15 H new ATOM 0 HG2 LYS A 76 -10.111 10.287 4.773 1.00 72.11 H new ATOM 0 HG3 LYS A 76 -9.658 10.301 6.466 1.00 72.11 H new ATOM 0 HD2 LYS A 76 -11.460 12.400 5.201 1.00 41.52 H new ATOM 0 HD3 LYS A 76 -12.067 10.951 5.976 1.00 41.52 H new ATOM 0 HE2 LYS A 76 -12.122 12.291 7.825 1.00 5.34 H new ATOM 0 HE3 LYS A 76 -10.438 11.823 7.956 1.00 5.34 H new ATOM 0 HZ1 LYS A 76 -10.034 14.000 7.921 1.00 61.22 H new ATOM 0 HZ2 LYS A 76 -10.349 13.941 6.253 1.00 61.22 H new ATOM 0 HZ3 LYS A 76 -11.580 14.388 7.334 1.00 61.22 H new ATOM 1153 N ASP A 77 -6.373 11.658 6.994 1.00 40.14 N ATOM 1154 CA ASP A 77 -5.652 11.304 8.212 1.00 62.14 C ATOM 1155 C ASP A 77 -6.402 10.231 8.996 1.00 23.13 C ATOM 1156 O ASP A 77 -5.795 9.426 9.702 1.00 15.03 O ATOM 1157 CB ASP A 77 -5.447 12.542 9.086 1.00 51.00 C ATOM 1158 CG ASP A 77 -6.722 12.979 9.779 1.00 1.32 C ATOM 1159 OD1 ASP A 77 -7.469 13.790 9.192 1.00 54.41 O ATOM 1160 OD2 ASP A 77 -6.974 12.509 10.909 1.00 64.20 O ATOM 0 H ASP A 77 -6.532 12.658 6.873 1.00 40.14 H new ATOM 0 HA ASP A 77 -4.679 10.905 7.926 1.00 62.14 H new ATOM 0 HB2 ASP A 77 -4.684 12.332 9.835 1.00 51.00 H new ATOM 0 HB3 ASP A 77 -5.073 13.360 8.470 1.00 51.00 H new ATOM 1164 N ASP A 78 -7.724 10.226 8.865 1.00 14.24 N ATOM 1165 CA ASP A 78 -8.557 9.252 9.561 1.00 15.31 C ATOM 1166 C ASP A 78 -8.470 7.886 8.891 1.00 21.33 C ATOM 1167 O ASP A 78 -8.427 6.855 9.562 1.00 2.31 O ATOM 1168 CB ASP A 78 -10.011 9.727 9.596 1.00 1.20 C ATOM 1169 CG ASP A 78 -10.807 9.072 10.709 1.00 60.34 C ATOM 1170 OD1 ASP A 78 -10.829 9.626 11.827 1.00 30.32 O ATOM 1171 OD2 ASP A 78 -11.406 8.004 10.461 1.00 34.31 O ATOM 0 H ASP A 78 -8.242 10.885 8.284 1.00 14.24 H new ATOM 0 HA ASP A 78 -8.189 9.158 10.583 1.00 15.31 H new ATOM 0 HB2 ASP A 78 -10.034 10.809 9.725 1.00 1.20 H new ATOM 0 HB3 ASP A 78 -10.484 9.510 8.638 1.00 1.20 H new ATOM 1175 N ASP A 79 -8.447 7.884 7.563 1.00 33.44 N ATOM 1176 CA ASP A 79 -8.366 6.644 6.799 1.00 54.13 C ATOM 1177 C ASP A 79 -7.144 5.830 7.214 1.00 74.41 C ATOM 1178 O ASP A 79 -6.156 6.379 7.706 1.00 4.21 O ATOM 1179 CB ASP A 79 -8.310 6.944 5.301 1.00 61.53 C ATOM 1180 CG ASP A 79 -9.647 7.401 4.752 1.00 25.02 C ATOM 1181 OD1 ASP A 79 -10.417 8.029 5.509 1.00 0.21 O ATOM 1182 OD2 ASP A 79 -9.923 7.132 3.565 1.00 1.15 O ATOM 0 H ASP A 79 -8.483 8.728 6.992 1.00 33.44 H new ATOM 0 HA ASP A 79 -9.260 6.058 7.010 1.00 54.13 H new ATOM 0 HB2 ASP A 79 -7.562 7.715 5.115 1.00 61.53 H new ATOM 0 HB3 ASP A 79 -7.987 6.051 4.766 1.00 61.53 H new ATOM 1186 N LYS A 80 -7.217 4.519 7.013 1.00 52.24 N ATOM 1187 CA LYS A 80 -6.116 3.629 7.365 1.00 3.44 C ATOM 1188 C LYS A 80 -6.057 2.437 6.415 1.00 41.13 C ATOM 1189 O LYS A 80 -7.086 1.861 6.062 1.00 61.41 O ATOM 1190 CB LYS A 80 -6.272 3.139 8.806 1.00 4.40 C ATOM 1191 CG LYS A 80 -7.453 2.206 9.008 1.00 3.44 C ATOM 1192 CD LYS A 80 -7.855 2.123 10.471 1.00 3.12 C ATOM 1193 CE LYS A 80 -8.933 1.073 10.695 1.00 70.20 C ATOM 1194 NZ LYS A 80 -10.288 1.587 10.352 1.00 55.00 N ATOM 0 H LYS A 80 -8.027 4.049 6.608 1.00 52.24 H new ATOM 0 HA LYS A 80 -5.185 4.189 7.276 1.00 3.44 H new ATOM 0 HB2 LYS A 80 -5.359 2.626 9.107 1.00 4.40 H new ATOM 0 HB3 LYS A 80 -6.384 4.001 9.464 1.00 4.40 H new ATOM 0 HG2 LYS A 80 -8.299 2.556 8.417 1.00 3.44 H new ATOM 0 HG3 LYS A 80 -7.198 1.211 8.643 1.00 3.44 H new ATOM 0 HD2 LYS A 80 -6.981 1.883 11.076 1.00 3.12 H new ATOM 0 HD3 LYS A 80 -8.217 3.095 10.805 1.00 3.12 H new ATOM 0 HE2 LYS A 80 -8.714 0.193 10.090 1.00 70.20 H new ATOM 0 HE3 LYS A 80 -8.919 0.754 11.737 1.00 70.20 H new ATOM 0 HZ1 LYS A 80 -10.994 0.842 10.518 1.00 55.00 H new ATOM 0 HZ2 LYS A 80 -10.508 2.411 10.947 1.00 55.00 H new ATOM 0 HZ3 LYS A 80 -10.310 1.867 9.351 1.00 55.00 H new ATOM 1204 N ILE A 81 -4.846 2.072 6.007 1.00 44.10 N ATOM 1205 CA ILE A 81 -4.653 0.947 5.101 1.00 34.40 C ATOM 1206 C ILE A 81 -4.129 -0.276 5.846 1.00 30.42 C ATOM 1207 O ILE A 81 -3.286 -0.160 6.735 1.00 61.54 O ATOM 1208 CB ILE A 81 -3.673 1.301 3.965 1.00 43.51 C ATOM 1209 CG1 ILE A 81 -4.064 2.633 3.323 1.00 64.51 C ATOM 1210 CG2 ILE A 81 -3.647 0.191 2.924 1.00 53.21 C ATOM 1211 CD1 ILE A 81 -3.303 3.817 3.877 1.00 2.35 C ATOM 0 H ILE A 81 -3.984 2.539 6.290 1.00 44.10 H new ATOM 0 HA ILE A 81 -5.628 0.717 4.671 1.00 34.40 H new ATOM 0 HB ILE A 81 -2.672 1.402 4.385 1.00 43.51 H new ATOM 0 HG12 ILE A 81 -3.894 2.573 2.248 1.00 64.51 H new ATOM 0 HG13 ILE A 81 -5.132 2.797 3.468 1.00 64.51 H new ATOM 0 HG21 ILE A 81 -2.951 0.455 2.128 1.00 53.21 H new ATOM 0 HG22 ILE A 81 -3.327 -0.740 3.392 1.00 53.21 H new ATOM 0 HG23 ILE A 81 -4.645 0.062 2.505 1.00 53.21 H new ATOM 0 HD11 ILE A 81 -3.632 4.727 3.376 1.00 2.35 H new ATOM 0 HD12 ILE A 81 -3.493 3.903 4.947 1.00 2.35 H new ATOM 0 HD13 ILE A 81 -2.236 3.675 3.708 1.00 2.35 H new ATOM 1222 N ASP A 82 -4.634 -1.448 5.477 1.00 74.43 N ATOM 1223 CA ASP A 82 -4.215 -2.694 6.108 1.00 4.22 C ATOM 1224 C ASP A 82 -3.920 -3.762 5.059 1.00 70.33 C ATOM 1225 O ASP A 82 -4.613 -3.862 4.046 1.00 14.23 O ATOM 1226 CB ASP A 82 -5.295 -3.191 7.070 1.00 24.23 C ATOM 1227 CG ASP A 82 -4.726 -4.037 8.191 1.00 53.24 C ATOM 1228 OD1 ASP A 82 -3.892 -4.920 7.904 1.00 4.30 O ATOM 1229 OD2 ASP A 82 -5.115 -3.816 9.358 1.00 52.24 O ATOM 0 H ASP A 82 -5.334 -1.561 4.744 1.00 74.43 H new ATOM 0 HA ASP A 82 -3.301 -2.499 6.669 1.00 4.22 H new ATOM 0 HB2 ASP A 82 -5.821 -2.336 7.495 1.00 24.23 H new ATOM 0 HB3 ASP A 82 -6.031 -3.774 6.516 1.00 24.23 H new ATOM 1233 N LEU A 83 -2.885 -4.558 5.307 1.00 14.41 N ATOM 1234 CA LEU A 83 -2.496 -5.618 4.385 1.00 33.42 C ATOM 1235 C LEU A 83 -2.732 -6.992 5.003 1.00 41.34 C ATOM 1236 O LEU A 83 -2.155 -7.326 6.038 1.00 2.43 O ATOM 1237 CB LEU A 83 -1.024 -5.468 3.995 1.00 31.12 C ATOM 1238 CG LEU A 83 -0.562 -6.286 2.788 1.00 14.44 C ATOM 1239 CD1 LEU A 83 -0.479 -7.761 3.144 1.00 3.21 C ATOM 1240 CD2 LEU A 83 -1.501 -6.072 1.608 1.00 41.25 C ATOM 0 H LEU A 83 -2.300 -4.489 6.140 1.00 14.41 H new ATOM 0 HA LEU A 83 -3.113 -5.531 3.491 1.00 33.42 H new ATOM 0 HB2 LEU A 83 -0.828 -4.415 3.791 1.00 31.12 H new ATOM 0 HB3 LEU A 83 -0.412 -5.746 4.853 1.00 31.12 H new ATOM 0 HG LEU A 83 0.433 -5.946 2.502 1.00 14.44 H new ATOM 0 HD11 LEU A 83 -0.149 -8.327 2.273 1.00 3.21 H new ATOM 0 HD12 LEU A 83 0.233 -7.899 3.958 1.00 3.21 H new ATOM 0 HD13 LEU A 83 -1.461 -8.116 3.456 1.00 3.21 H new ATOM 0 HD21 LEU A 83 -1.157 -6.661 0.758 1.00 41.25 H new ATOM 0 HD22 LEU A 83 -2.508 -6.385 1.883 1.00 41.25 H new ATOM 0 HD23 LEU A 83 -1.510 -5.016 1.337 1.00 41.25 H new ATOM 1251 N PHE A 84 -3.582 -7.786 4.361 1.00 12.43 N ATOM 1252 CA PHE A 84 -3.894 -9.124 4.847 1.00 64.12 C ATOM 1253 C PHE A 84 -3.382 -10.188 3.880 1.00 61.34 C ATOM 1254 O PHE A 84 -3.499 -10.063 2.661 1.00 3.05 O ATOM 1255 CB PHE A 84 -5.404 -9.281 5.041 1.00 1.11 C ATOM 1256 CG PHE A 84 -6.029 -8.155 5.813 1.00 14.31 C ATOM 1257 CD1 PHE A 84 -5.550 -7.807 7.066 1.00 15.54 C ATOM 1258 CD2 PHE A 84 -7.095 -7.445 5.287 1.00 12.31 C ATOM 1259 CE1 PHE A 84 -6.124 -6.771 7.779 1.00 52.23 C ATOM 1260 CE2 PHE A 84 -7.673 -6.407 5.995 1.00 3.10 C ATOM 1261 CZ PHE A 84 -7.186 -6.070 7.243 1.00 11.03 C ATOM 0 H PHE A 84 -4.067 -7.526 3.502 1.00 12.43 H new ATOM 0 HA PHE A 84 -3.395 -9.259 5.807 1.00 64.12 H new ATOM 0 HB2 PHE A 84 -5.882 -9.351 4.064 1.00 1.11 H new ATOM 0 HB3 PHE A 84 -5.600 -10.219 5.560 1.00 1.11 H new ATOM 0 HD1 PHE A 84 -4.719 -8.351 7.490 1.00 15.54 H new ATOM 0 HD2 PHE A 84 -7.480 -7.705 4.312 1.00 12.31 H new ATOM 0 HE1 PHE A 84 -5.742 -6.510 8.755 1.00 52.23 H new ATOM 0 HE2 PHE A 84 -8.504 -5.861 5.573 1.00 3.10 H new ATOM 0 HZ PHE A 84 -7.635 -5.260 7.798 1.00 11.03 H new ATOM 1270 N PRO A 85 -2.796 -11.260 4.435 1.00 11.53 N ATOM 1271 CA PRO A 85 -2.254 -12.366 3.641 1.00 53.52 C ATOM 1272 C PRO A 85 -3.347 -13.188 2.969 1.00 43.53 C ATOM 1273 O PRO A 85 -4.521 -13.123 3.336 1.00 41.32 O ATOM 1274 CB PRO A 85 -1.507 -13.212 4.676 1.00 31.53 C ATOM 1275 CG PRO A 85 -2.181 -12.910 5.969 1.00 73.04 C ATOM 1276 CD PRO A 85 -2.622 -11.475 5.881 1.00 54.04 C ATOM 0 HA PRO A 85 -1.624 -12.012 2.825 1.00 53.52 H new ATOM 0 HB2 PRO A 85 -1.567 -14.274 4.437 1.00 31.53 H new ATOM 0 HB3 PRO A 85 -0.449 -12.952 4.711 1.00 31.53 H new ATOM 0 HG2 PRO A 85 -3.033 -13.571 6.129 1.00 73.04 H new ATOM 0 HG3 PRO A 85 -1.501 -13.058 6.808 1.00 73.04 H new ATOM 0 HD2 PRO A 85 -3.550 -11.306 6.427 1.00 54.04 H new ATOM 0 HD3 PRO A 85 -1.877 -10.799 6.301 1.00 54.04 H new ATOM 1281 N PRO A 86 -2.957 -13.982 1.961 1.00 61.33 N ATOM 1282 CA PRO A 86 -3.890 -14.834 1.217 1.00 31.10 C ATOM 1283 C PRO A 86 -4.412 -15.994 2.058 1.00 52.20 C ATOM 1284 O PRO A 86 -3.736 -16.463 2.975 1.00 30.13 O ATOM 1285 CB PRO A 86 -3.044 -15.355 0.053 1.00 71.24 C ATOM 1286 CG PRO A 86 -1.640 -15.298 0.550 1.00 72.34 C ATOM 1287 CD PRO A 86 -1.574 -14.109 1.470 1.00 4.34 C ATOM 0 HA PRO A 86 -4.780 -14.288 0.904 1.00 31.10 H new ATOM 0 HB2 PRO A 86 -3.327 -16.372 -0.218 1.00 71.24 H new ATOM 0 HB3 PRO A 86 -3.174 -14.740 -0.837 1.00 71.24 H new ATOM 0 HG2 PRO A 86 -1.375 -16.215 1.077 1.00 72.34 H new ATOM 0 HG3 PRO A 86 -0.937 -15.191 -0.277 1.00 72.34 H new ATOM 0 HD2 PRO A 86 -0.871 -14.271 2.287 1.00 4.34 H new ATOM 0 HD3 PRO A 86 -1.250 -13.211 0.944 1.00 4.34 H new ATOM 1292 N VAL A 87 -5.618 -16.454 1.740 1.00 71.30 N ATOM 1293 CA VAL A 87 -6.229 -17.561 2.465 1.00 32.22 C ATOM 1294 C VAL A 87 -5.393 -18.829 2.340 1.00 50.33 C ATOM 1295 O VAL A 87 -5.376 -19.666 3.243 1.00 14.15 O ATOM 1296 CB VAL A 87 -7.654 -17.847 1.955 1.00 15.34 C ATOM 1297 CG1 VAL A 87 -8.538 -16.621 2.125 1.00 5.22 C ATOM 1298 CG2 VAL A 87 -7.619 -18.292 0.501 1.00 20.02 C ATOM 0 H VAL A 87 -6.191 -16.077 0.985 1.00 71.30 H new ATOM 0 HA VAL A 87 -6.278 -17.264 3.513 1.00 32.22 H new ATOM 0 HB VAL A 87 -8.079 -18.656 2.549 1.00 15.34 H new ATOM 0 HG11 VAL A 87 -9.541 -16.842 1.759 1.00 5.22 H new ATOM 0 HG12 VAL A 87 -8.588 -16.352 3.180 1.00 5.22 H new ATOM 0 HG13 VAL A 87 -8.120 -15.789 1.558 1.00 5.22 H new ATOM 0 HG21 VAL A 87 -8.634 -18.490 0.157 1.00 20.02 H new ATOM 0 HG22 VAL A 87 -7.175 -17.506 -0.110 1.00 20.02 H new ATOM 0 HG23 VAL A 87 -7.022 -19.200 0.413 1.00 20.02 H new ATOM 1308 N ALA A 88 -4.698 -18.965 1.216 1.00 21.40 N ATOM 1309 CA ALA A 88 -3.857 -20.130 0.974 1.00 33.23 C ATOM 1310 C ALA A 88 -2.498 -19.975 1.648 1.00 72.23 C ATOM 1311 O ALA A 88 -1.834 -20.963 1.963 1.00 35.42 O ATOM 1312 CB ALA A 88 -3.684 -20.355 -0.522 1.00 75.22 C ATOM 0 H ALA A 88 -4.701 -18.282 0.458 1.00 21.40 H new ATOM 0 HA ALA A 88 -4.351 -21.000 1.406 1.00 33.23 H new ATOM 0 HB1 ALA A 88 -3.054 -21.229 -0.688 1.00 75.22 H new ATOM 0 HB2 ALA A 88 -4.659 -20.519 -0.980 1.00 75.22 H new ATOM 0 HB3 ALA A 88 -3.215 -19.479 -0.970 1.00 75.22 H new