USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 1 MET CE :methyl -155:sc= -0.115 (180deg=-0.743) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.277 (180deg=-2.6!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.691 USER MOD Single : A 6 TYR OH : rot 167:sc= -3.43! USER MOD Single : A 7 TYR OH : rot 101:sc= 0.028 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 121:sc= 0.47 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 147:sc= 0.177 USER MOD Single : A 22 ASN : amide:sc= 0.2 K(o=0.2,f=-3.3!) USER MOD Single : A 25 SER OG : rot -82:sc= 0.0425 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 38 TYR OH : rot 57:sc= 0.495 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 78:sc= -0.0224 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.6! C(o=-3.6!,f=-4!) USER MOD Single : A 46 MET CE :methyl 147:sc= -1.34 (180deg=-1.94) USER MOD Single : A 47 TYR OH : rot -62:sc= 0.911 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.079) USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= -0.121 (180deg=-0.431) USER MOD Single : A 55 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.516 F(o=-1.6,f=-0.52) USER MOD Single : A 63 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.81) USER MOD Single : A 64 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 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 53:sc= 1.14 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.988 12.341 7.442 1.00 53.22 N ATOM 2 CA MET A 1 -2.043 11.293 7.810 1.00 51.11 C ATOM 3 C MET A 1 -2.504 9.937 7.287 1.00 3.24 C ATOM 4 O MET A 1 -3.691 9.612 7.338 1.00 55.22 O ATOM 5 CB MET A 1 -1.876 11.237 9.330 1.00 0.11 C ATOM 6 CG MET A 1 -1.092 10.027 9.811 1.00 23.42 C ATOM 7 SD MET A 1 -0.485 10.219 11.497 1.00 54.23 S ATOM 8 CE MET A 1 0.732 11.514 11.274 1.00 14.15 C ATOM 0 H1 MET A 1 -2.469 13.162 7.071 1.00 53.22 H new ATOM 0 H2 MET A 1 -3.637 11.983 6.712 1.00 53.22 H new ATOM 0 H3 MET A 1 -3.534 12.626 8.280 1.00 53.22 H new ATOM 0 HA MET A 1 -1.081 11.530 7.355 1.00 51.11 H new ATOM 0 HB2 MET A 1 -1.372 12.143 9.666 1.00 0.11 H new ATOM 0 HB3 MET A 1 -2.862 11.230 9.796 1.00 0.11 H new ATOM 0 HG2 MET A 1 -1.726 9.142 9.756 1.00 23.42 H new ATOM 0 HG3 MET A 1 -0.248 9.856 9.142 1.00 23.42 H new ATOM 0 HE1 MET A 1 1.482 11.448 12.063 1.00 14.15 H new ATOM 0 HE2 MET A 1 1.215 11.397 10.304 1.00 14.15 H new ATOM 0 HE3 MET A 1 0.241 12.486 11.320 1.00 14.15 H new ATOM 16 N VAL A 2 -1.560 9.148 6.783 1.00 54.24 N ATOM 17 CA VAL A 2 -1.870 7.827 6.252 1.00 31.35 C ATOM 18 C VAL A 2 -1.099 6.742 6.994 1.00 3.34 C ATOM 19 O VAL A 2 0.114 6.841 7.181 1.00 34.14 O ATOM 20 CB VAL A 2 -1.545 7.736 4.750 1.00 32.51 C ATOM 21 CG1 VAL A 2 -2.507 8.594 3.941 1.00 15.10 C ATOM 22 CG2 VAL A 2 -0.104 8.148 4.491 1.00 33.33 C ATOM 0 H VAL A 2 -0.573 9.402 6.732 1.00 54.24 H new ATOM 0 HA VAL A 2 -2.939 7.671 6.395 1.00 31.35 H new ATOM 0 HB VAL A 2 -1.666 6.700 4.433 1.00 32.51 H new ATOM 0 HG11 VAL A 2 -2.261 8.517 2.882 1.00 15.10 H new ATOM 0 HG12 VAL A 2 -3.528 8.248 4.103 1.00 15.10 H new ATOM 0 HG13 VAL A 2 -2.422 9.633 4.258 1.00 15.10 H new ATOM 0 HG21 VAL A 2 0.108 8.078 3.424 1.00 33.33 H new ATOM 0 HG22 VAL A 2 0.046 9.175 4.824 1.00 33.33 H new ATOM 0 HG23 VAL A 2 0.568 7.487 5.039 1.00 33.33 H new ATOM 32 N THR A 3 -1.812 5.701 7.417 1.00 53.20 N ATOM 33 CA THR A 3 -1.196 4.596 8.140 1.00 44.13 C ATOM 34 C THR A 3 -1.238 3.311 7.321 1.00 2.14 C ATOM 35 O THR A 3 -2.269 2.966 6.741 1.00 54.53 O ATOM 36 CB THR A 3 -1.891 4.352 9.492 1.00 10.23 C ATOM 37 OG1 THR A 3 -2.280 5.601 10.075 1.00 42.32 O ATOM 38 CG2 THR A 3 -0.971 3.605 10.447 1.00 1.35 C ATOM 0 H THR A 3 -2.817 5.601 7.271 1.00 53.20 H new ATOM 0 HA THR A 3 -0.158 4.876 8.319 1.00 44.13 H new ATOM 0 HB THR A 3 -2.777 3.742 9.315 1.00 10.23 H new ATOM 0 HG1 THR A 3 -2.723 5.437 10.934 1.00 42.32 H new ATOM 0 HG21 THR A 3 -1.484 3.444 11.395 1.00 1.35 H new ATOM 0 HG22 THR A 3 -0.700 2.642 10.013 1.00 1.35 H new ATOM 0 HG23 THR A 3 -0.069 4.193 10.618 1.00 1.35 H new ATOM 46 N VAL A 4 -0.112 2.606 7.276 1.00 25.31 N ATOM 47 CA VAL A 4 -0.021 1.358 6.528 1.00 22.04 C ATOM 48 C VAL A 4 0.313 0.189 7.448 1.00 64.43 C ATOM 49 O VAL A 4 1.180 0.298 8.316 1.00 62.55 O ATOM 50 CB VAL A 4 1.042 1.444 5.418 1.00 33.12 C ATOM 51 CG1 VAL A 4 0.547 2.309 4.269 1.00 35.11 C ATOM 52 CG2 VAL A 4 2.351 1.982 5.975 1.00 41.10 C ATOM 0 H VAL A 4 0.750 2.878 7.749 1.00 25.31 H new ATOM 0 HA VAL A 4 -0.997 1.191 6.072 1.00 22.04 H new ATOM 0 HB VAL A 4 1.222 0.440 5.033 1.00 33.12 H new ATOM 0 HG11 VAL A 4 1.312 2.358 3.494 1.00 35.11 H new ATOM 0 HG12 VAL A 4 -0.363 1.876 3.853 1.00 35.11 H new ATOM 0 HG13 VAL A 4 0.336 3.314 4.635 1.00 35.11 H new ATOM 0 HG21 VAL A 4 3.091 2.036 5.177 1.00 41.10 H new ATOM 0 HG22 VAL A 4 2.189 2.978 6.388 1.00 41.10 H new ATOM 0 HG23 VAL A 4 2.712 1.318 6.760 1.00 41.10 H new ATOM 62 N ARG A 5 -0.379 -0.929 7.252 1.00 50.10 N ATOM 63 CA ARG A 5 -0.155 -2.117 8.065 1.00 44.51 C ATOM 64 C ARG A 5 0.459 -3.239 7.232 1.00 72.24 C ATOM 65 O ARG A 5 0.065 -3.463 6.087 1.00 14.12 O ATOM 66 CB ARG A 5 -1.470 -2.592 8.686 1.00 32.31 C ATOM 67 CG ARG A 5 -1.296 -3.285 10.028 1.00 63.31 C ATOM 68 CD ARG A 5 -1.126 -2.280 11.155 1.00 54.45 C ATOM 69 NE ARG A 5 -0.354 -2.829 12.267 1.00 41.44 N ATOM 70 CZ ARG A 5 -0.377 -2.327 13.497 1.00 43.13 C ATOM 71 NH1 ARG A 5 -1.129 -1.270 13.771 1.00 54.31 N ATOM 72 NH2 ARG A 5 0.353 -2.883 14.456 1.00 22.14 N ATOM 0 H ARG A 5 -1.099 -1.036 6.537 1.00 50.10 H new ATOM 0 HA ARG A 5 0.542 -1.855 8.861 1.00 44.51 H new ATOM 0 HB2 ARG A 5 -2.132 -1.736 8.812 1.00 32.31 H new ATOM 0 HB3 ARG A 5 -1.962 -3.276 7.995 1.00 32.31 H new ATOM 0 HG2 ARG A 5 -2.163 -3.915 10.228 1.00 63.31 H new ATOM 0 HG3 ARG A 5 -0.427 -3.941 9.990 1.00 63.31 H new ATOM 0 HD2 ARG A 5 -0.628 -1.389 10.774 1.00 54.45 H new ATOM 0 HD3 ARG A 5 -2.107 -1.968 11.514 1.00 54.45 H new ATOM 0 HE ARG A 5 0.235 -3.643 12.089 1.00 41.44 H new ATOM 0 HH11 ARG A 5 -1.692 -0.840 13.037 1.00 54.31 H new ATOM 0 HH12 ARG A 5 -1.145 -0.887 14.716 1.00 54.31 H new ATOM 0 HH21 ARG A 5 0.932 -3.697 14.249 1.00 22.14 H new ATOM 0 HH22 ARG A 5 0.335 -2.497 15.400 1.00 22.14 H new ATOM 83 N TYR A 6 1.429 -3.937 7.813 1.00 25.45 N ATOM 84 CA TYR A 6 2.100 -5.033 7.123 1.00 1.34 C ATOM 85 C TYR A 6 2.128 -6.288 7.990 1.00 35.22 C ATOM 86 O TYR A 6 2.764 -6.314 9.044 1.00 42.03 O ATOM 87 CB TYR A 6 3.526 -4.628 6.746 1.00 73.50 C ATOM 88 CG TYR A 6 3.600 -3.348 5.943 1.00 50.42 C ATOM 89 CD1 TYR A 6 2.696 -3.093 4.920 1.00 0.10 C ATOM 90 CD2 TYR A 6 4.574 -2.394 6.211 1.00 34.53 C ATOM 91 CE1 TYR A 6 2.762 -1.926 4.185 1.00 23.35 C ATOM 92 CE2 TYR A 6 4.646 -1.223 5.481 1.00 21.25 C ATOM 93 CZ TYR A 6 3.737 -0.993 4.468 1.00 44.23 C ATOM 94 OH TYR A 6 3.805 0.170 3.739 1.00 32.42 O ATOM 0 H TYR A 6 1.768 -3.764 8.759 1.00 25.45 H new ATOM 0 HA TYR A 6 1.539 -5.254 6.215 1.00 1.34 H new ATOM 0 HB2 TYR A 6 4.114 -4.510 7.656 1.00 73.50 H new ATOM 0 HB3 TYR A 6 3.984 -5.434 6.172 1.00 73.50 H new ATOM 0 HD1 TYR A 6 1.929 -3.819 4.696 1.00 0.10 H new ATOM 0 HD2 TYR A 6 5.287 -2.571 7.003 1.00 34.53 H new ATOM 0 HE1 TYR A 6 2.052 -1.745 3.391 1.00 23.35 H new ATOM 0 HE2 TYR A 6 5.409 -0.492 5.702 1.00 21.25 H new ATOM 0 HH TYR A 6 4.402 0.804 4.189 1.00 32.42 H new ATOM 103 N TYR A 7 1.433 -7.326 7.538 1.00 12.20 N ATOM 104 CA TYR A 7 1.376 -8.584 8.273 1.00 2.34 C ATOM 105 C TYR A 7 2.647 -9.400 8.056 1.00 31.33 C ATOM 106 O TYR A 7 3.578 -8.953 7.388 1.00 33.23 O ATOM 107 CB TYR A 7 0.155 -9.397 7.839 1.00 24.12 C ATOM 108 CG TYR A 7 -1.018 -9.281 8.786 1.00 32.55 C ATOM 109 CD1 TYR A 7 -1.540 -8.038 9.126 1.00 4.23 C ATOM 110 CD2 TYR A 7 -1.605 -10.412 9.339 1.00 31.33 C ATOM 111 CE1 TYR A 7 -2.612 -7.927 9.991 1.00 44.35 C ATOM 112 CE2 TYR A 7 -2.677 -10.310 10.204 1.00 24.33 C ATOM 113 CZ TYR A 7 -3.177 -9.066 10.527 1.00 42.31 C ATOM 114 OH TYR A 7 -4.245 -8.960 11.388 1.00 74.22 O ATOM 0 H TYR A 7 0.902 -7.321 6.667 1.00 12.20 H new ATOM 0 HA TYR A 7 1.292 -8.352 9.335 1.00 2.34 H new ATOM 0 HB2 TYR A 7 -0.156 -9.069 6.847 1.00 24.12 H new ATOM 0 HB3 TYR A 7 0.439 -10.446 7.753 1.00 24.12 H new ATOM 0 HD1 TYR A 7 -1.101 -7.145 8.707 1.00 4.23 H new ATOM 0 HD2 TYR A 7 -1.216 -11.388 9.088 1.00 31.33 H new ATOM 0 HE1 TYR A 7 -3.005 -6.954 10.246 1.00 44.35 H new ATOM 0 HE2 TYR A 7 -3.121 -11.200 10.625 1.00 24.33 H new ATOM 0 HH TYR A 7 -5.075 -9.151 10.904 1.00 74.22 H new ATOM 123 N ALA A 8 2.676 -10.600 8.627 1.00 61.43 N ATOM 124 CA ALA A 8 3.830 -11.481 8.494 1.00 52.43 C ATOM 125 C ALA A 8 4.205 -11.679 7.030 1.00 73.23 C ATOM 126 O ALA A 8 5.367 -11.919 6.702 1.00 73.22 O ATOM 127 CB ALA A 8 3.549 -12.822 9.155 1.00 54.43 C ATOM 0 H ALA A 8 1.914 -10.984 9.186 1.00 61.43 H new ATOM 0 HA ALA A 8 4.675 -11.010 8.997 1.00 52.43 H new ATOM 0 HB1 ALA A 8 4.419 -13.470 9.048 1.00 54.43 H new ATOM 0 HB2 ALA A 8 3.338 -12.669 10.213 1.00 54.43 H new ATOM 0 HB3 ALA A 8 2.688 -13.290 8.678 1.00 54.43 H new ATOM 133 N THR A 9 3.213 -11.578 6.150 1.00 14.32 N ATOM 134 CA THR A 9 3.438 -11.747 4.721 1.00 64.10 C ATOM 135 C THR A 9 4.393 -10.687 4.185 1.00 34.25 C ATOM 136 O THR A 9 5.070 -10.898 3.179 1.00 21.54 O ATOM 137 CB THR A 9 2.117 -11.679 3.932 1.00 13.23 C ATOM 138 OG1 THR A 9 2.388 -11.559 2.531 1.00 61.35 O ATOM 139 CG2 THR A 9 1.272 -10.500 4.393 1.00 62.42 C ATOM 0 H THR A 9 2.245 -11.380 6.403 1.00 14.32 H new ATOM 0 HA THR A 9 3.882 -12.733 4.586 1.00 64.10 H new ATOM 0 HB THR A 9 1.562 -12.599 4.116 1.00 13.23 H new ATOM 0 HG1 THR A 9 1.543 -11.518 2.037 1.00 61.35 H new ATOM 0 HG21 THR A 9 0.344 -10.472 3.822 1.00 62.42 H new ATOM 0 HG22 THR A 9 1.043 -10.609 5.453 1.00 62.42 H new ATOM 0 HG23 THR A 9 1.823 -9.573 4.235 1.00 62.42 H new ATOM 147 N LEU A 10 4.442 -9.546 4.862 1.00 54.24 N ATOM 148 CA LEU A 10 5.316 -8.450 4.455 1.00 22.12 C ATOM 149 C LEU A 10 6.436 -8.240 5.468 1.00 44.42 C ATOM 150 O LEU A 10 7.099 -7.203 5.470 1.00 2.02 O ATOM 151 CB LEU A 10 4.508 -7.160 4.295 1.00 64.54 C ATOM 152 CG LEU A 10 3.726 -7.016 2.990 1.00 24.25 C ATOM 153 CD1 LEU A 10 4.658 -7.117 1.793 1.00 42.04 C ATOM 154 CD2 LEU A 10 2.631 -8.070 2.905 1.00 1.12 C ATOM 0 H LEU A 10 3.887 -9.355 5.696 1.00 54.24 H new ATOM 0 HA LEU A 10 5.764 -8.713 3.497 1.00 22.12 H new ATOM 0 HB2 LEU A 10 3.806 -7.089 5.126 1.00 64.54 H new ATOM 0 HB3 LEU A 10 5.190 -6.314 4.382 1.00 64.54 H new ATOM 0 HG LEU A 10 3.258 -6.032 2.977 1.00 24.25 H new ATOM 0 HD11 LEU A 10 4.082 -7.012 0.874 1.00 42.04 H new ATOM 0 HD12 LEU A 10 5.405 -6.325 1.846 1.00 42.04 H new ATOM 0 HD13 LEU A 10 5.156 -8.087 1.800 1.00 42.04 H new ATOM 0 HD21 LEU A 10 2.084 -7.952 1.969 1.00 1.12 H new ATOM 0 HD22 LEU A 10 3.078 -9.063 2.941 1.00 1.12 H new ATOM 0 HD23 LEU A 10 1.945 -7.950 3.743 1.00 1.12 H new ATOM 165 N ARG A 11 6.643 -9.233 6.327 1.00 44.11 N ATOM 166 CA ARG A 11 7.685 -9.158 7.345 1.00 4.52 C ATOM 167 C ARG A 11 9.058 -8.982 6.705 1.00 51.34 C ATOM 168 O ARG A 11 9.779 -8.022 6.979 1.00 23.44 O ATOM 169 CB ARG A 11 7.671 -10.418 8.213 1.00 2.41 C ATOM 170 CG ARG A 11 9.029 -10.770 8.795 1.00 64.54 C ATOM 171 CD ARG A 11 9.567 -9.653 9.674 1.00 35.32 C ATOM 172 NE ARG A 11 10.867 -9.170 9.212 1.00 5.22 N ATOM 173 CZ ARG A 11 12.011 -9.803 9.448 1.00 13.23 C ATOM 174 NH1 ARG A 11 12.016 -10.936 10.136 1.00 14.02 N ATOM 175 NH2 ARG A 11 13.153 -9.300 8.996 1.00 44.11 N ATOM 0 H ARG A 11 6.103 -10.099 6.339 1.00 44.11 H new ATOM 0 HA ARG A 11 7.483 -8.291 7.973 1.00 4.52 H new ATOM 0 HB2 ARG A 11 6.960 -10.280 9.028 1.00 2.41 H new ATOM 0 HB3 ARG A 11 7.312 -11.256 7.616 1.00 2.41 H new ATOM 0 HG2 ARG A 11 8.949 -11.687 9.379 1.00 64.54 H new ATOM 0 HG3 ARG A 11 9.732 -10.968 7.986 1.00 64.54 H new ATOM 0 HD2 ARG A 11 8.856 -8.827 9.685 1.00 35.32 H new ATOM 0 HD3 ARG A 11 9.657 -10.010 10.700 1.00 35.32 H new ATOM 0 HE ARG A 11 10.897 -8.300 8.680 1.00 5.22 H new ATOM 0 HH11 ARG A 11 11.140 -11.324 10.486 1.00 14.02 H new ATOM 0 HH12 ARG A 11 12.896 -11.420 10.316 1.00 14.02 H new ATOM 0 HH21 ARG A 11 13.152 -8.428 8.468 1.00 44.11 H new ATOM 0 HH22 ARG A 11 14.031 -9.786 9.177 1.00 44.11 H new ATOM 186 N PRO A 12 9.431 -9.931 5.835 1.00 64.30 N ATOM 187 CA PRO A 12 10.721 -9.904 5.139 1.00 25.34 C ATOM 188 C PRO A 12 10.797 -8.786 4.103 1.00 44.24 C ATOM 189 O PRO A 12 11.843 -8.564 3.494 1.00 73.55 O ATOM 190 CB PRO A 12 10.784 -11.271 4.453 1.00 4.53 C ATOM 191 CG PRO A 12 9.360 -11.674 4.281 1.00 45.22 C ATOM 192 CD PRO A 12 8.623 -11.104 5.462 1.00 2.13 C ATOM 0 HA PRO A 12 11.549 -9.716 5.823 1.00 25.34 H new ATOM 0 HB2 PRO A 12 11.297 -11.209 3.493 1.00 4.53 H new ATOM 0 HB3 PRO A 12 11.330 -11.994 5.060 1.00 4.53 H new ATOM 0 HG2 PRO A 12 8.955 -11.288 3.345 1.00 45.22 H new ATOM 0 HG3 PRO A 12 9.263 -12.759 4.247 1.00 45.22 H new ATOM 0 HD2 PRO A 12 7.603 -10.823 5.201 1.00 2.13 H new ATOM 0 HD3 PRO A 12 8.557 -11.822 6.279 1.00 2.13 H new ATOM 197 N ILE A 13 9.685 -8.087 3.912 1.00 32.13 N ATOM 198 CA ILE A 13 9.628 -6.992 2.952 1.00 14.24 C ATOM 199 C ILE A 13 9.517 -5.646 3.660 1.00 53.11 C ATOM 200 O ILE A 13 9.615 -4.590 3.032 1.00 1.45 O ATOM 201 CB ILE A 13 8.437 -7.150 1.987 1.00 13.04 C ATOM 202 CG1 ILE A 13 8.203 -8.628 1.669 1.00 60.42 C ATOM 203 CG2 ILE A 13 8.682 -6.360 0.710 1.00 11.13 C ATOM 204 CD1 ILE A 13 7.119 -8.861 0.641 1.00 14.15 C ATOM 0 H ILE A 13 8.811 -8.259 4.409 1.00 32.13 H new ATOM 0 HA ILE A 13 10.556 -7.025 2.381 1.00 14.24 H new ATOM 0 HB ILE A 13 7.543 -6.756 2.469 1.00 13.04 H new ATOM 0 HG12 ILE A 13 9.134 -9.065 1.309 1.00 60.42 H new ATOM 0 HG13 ILE A 13 7.939 -9.152 2.588 1.00 60.42 H new ATOM 0 HG21 ILE A 13 7.832 -6.481 0.038 1.00 11.13 H new ATOM 0 HG22 ILE A 13 8.805 -5.305 0.953 1.00 11.13 H new ATOM 0 HG23 ILE A 13 9.585 -6.727 0.223 1.00 11.13 H new ATOM 0 HD11 ILE A 13 7.008 -9.931 0.465 1.00 14.15 H new ATOM 0 HD12 ILE A 13 6.177 -8.454 1.007 1.00 14.15 H new ATOM 0 HD13 ILE A 13 7.390 -8.366 -0.292 1.00 14.15 H new ATOM 215 N THR A 14 9.316 -5.688 4.974 1.00 64.24 N ATOM 216 CA THR A 14 9.195 -4.473 5.768 1.00 53.21 C ATOM 217 C THR A 14 10.255 -4.422 6.862 1.00 73.35 C ATOM 218 O THR A 14 10.421 -3.404 7.534 1.00 62.15 O ATOM 219 CB THR A 14 7.801 -4.362 6.415 1.00 54.42 C ATOM 220 OG1 THR A 14 7.580 -3.025 6.875 1.00 14.30 O ATOM 221 CG2 THR A 14 7.666 -5.333 7.579 1.00 25.23 C ATOM 0 H THR A 14 9.234 -6.552 5.510 1.00 64.24 H new ATOM 0 HA THR A 14 9.340 -3.635 5.086 1.00 53.21 H new ATOM 0 HB THR A 14 7.054 -4.615 5.663 1.00 54.42 H new ATOM 0 HG1 THR A 14 6.784 -2.656 6.438 1.00 14.30 H new ATOM 0 HG21 THR A 14 6.674 -5.237 8.020 1.00 25.23 H new ATOM 0 HG22 THR A 14 7.806 -6.353 7.220 1.00 25.23 H new ATOM 0 HG23 THR A 14 8.421 -5.106 8.332 1.00 25.23 H new ATOM 229 N LYS A 15 10.974 -5.526 7.035 1.00 5.14 N ATOM 230 CA LYS A 15 12.021 -5.608 8.045 1.00 40.45 C ATOM 231 C LYS A 15 11.493 -5.184 9.413 1.00 32.23 C ATOM 232 O LYS A 15 12.218 -4.597 10.215 1.00 74.12 O ATOM 233 CB LYS A 15 13.210 -4.729 7.651 1.00 2.42 C ATOM 234 CG LYS A 15 14.504 -5.104 8.352 1.00 31.04 C ATOM 235 CD LYS A 15 15.386 -3.889 8.580 1.00 52.33 C ATOM 236 CE LYS A 15 16.110 -3.479 7.307 1.00 53.44 C ATOM 237 NZ LYS A 15 16.761 -2.146 7.444 1.00 23.30 N ATOM 0 H LYS A 15 10.850 -6.378 6.487 1.00 5.14 H new ATOM 0 HA LYS A 15 12.349 -6.646 8.107 1.00 40.45 H new ATOM 0 HB2 LYS A 15 13.358 -4.795 6.573 1.00 2.42 H new ATOM 0 HB3 LYS A 15 12.973 -3.689 7.877 1.00 2.42 H new ATOM 0 HG2 LYS A 15 14.278 -5.575 9.308 1.00 31.04 H new ATOM 0 HG3 LYS A 15 15.043 -5.839 7.754 1.00 31.04 H new ATOM 0 HD2 LYS A 15 14.777 -3.058 8.937 1.00 52.33 H new ATOM 0 HD3 LYS A 15 16.115 -4.109 9.360 1.00 52.33 H new ATOM 0 HE2 LYS A 15 16.863 -4.227 7.060 1.00 53.44 H new ATOM 0 HE3 LYS A 15 15.402 -3.454 6.479 1.00 53.44 H new ATOM 0 HZ1 LYS A 15 17.244 -1.902 6.556 1.00 23.30 H new ATOM 0 HZ2 LYS A 15 16.039 -1.427 7.654 1.00 23.30 H new ATOM 0 HZ3 LYS A 15 17.455 -2.176 8.218 1.00 23.30 H new ATOM 247 N LYS A 16 10.225 -5.485 9.671 1.00 21.33 N ATOM 248 CA LYS A 16 9.599 -5.138 10.941 1.00 54.45 C ATOM 249 C LYS A 16 9.770 -3.652 11.244 1.00 1.21 C ATOM 250 O LYS A 16 10.681 -3.257 11.972 1.00 52.22 O ATOM 251 CB LYS A 16 10.199 -5.972 12.074 1.00 50.24 C ATOM 252 CG LYS A 16 9.887 -7.455 11.970 1.00 62.40 C ATOM 253 CD LYS A 16 9.968 -8.139 13.324 1.00 65.12 C ATOM 254 CE LYS A 16 10.774 -9.427 13.251 1.00 4.22 C ATOM 255 NZ LYS A 16 11.159 -9.918 14.602 1.00 1.41 N ATOM 0 H LYS A 16 9.610 -5.969 9.017 1.00 21.33 H new ATOM 0 HA LYS A 16 8.534 -5.355 10.863 1.00 54.45 H new ATOM 0 HB2 LYS A 16 11.281 -5.837 12.080 1.00 50.24 H new ATOM 0 HB3 LYS A 16 9.826 -5.597 13.027 1.00 50.24 H new ATOM 0 HG2 LYS A 16 8.889 -7.589 11.553 1.00 62.40 H new ATOM 0 HG3 LYS A 16 10.587 -7.927 11.281 1.00 62.40 H new ATOM 0 HD2 LYS A 16 10.425 -7.463 14.047 1.00 65.12 H new ATOM 0 HD3 LYS A 16 8.962 -8.358 13.683 1.00 65.12 H new ATOM 0 HE2 LYS A 16 10.190 -10.192 12.739 1.00 4.22 H new ATOM 0 HE3 LYS A 16 11.672 -9.260 12.656 1.00 4.22 H new ATOM 0 HZ1 LYS A 16 11.707 -10.797 14.509 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 11.738 -9.199 15.081 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 10.302 -10.102 15.162 1.00 1.41 H new ATOM 265 N LYS A 17 8.888 -2.833 10.681 1.00 75.23 N ATOM 266 CA LYS A 17 8.939 -1.391 10.893 1.00 63.32 C ATOM 267 C LYS A 17 7.759 -0.701 10.218 1.00 13.21 C ATOM 268 O LYS A 17 7.661 -0.677 8.992 1.00 31.41 O ATOM 269 CB LYS A 17 10.254 -0.822 10.352 1.00 44.11 C ATOM 270 CG LYS A 17 10.721 0.425 11.082 1.00 60.02 C ATOM 271 CD LYS A 17 12.169 0.753 10.753 1.00 33.14 C ATOM 272 CE LYS A 17 13.127 0.079 11.723 1.00 31.35 C ATOM 273 NZ LYS A 17 13.230 0.823 13.009 1.00 35.15 N ATOM 0 H LYS A 17 8.129 -3.143 10.074 1.00 75.23 H new ATOM 0 HA LYS A 17 8.882 -1.203 11.965 1.00 63.32 H new ATOM 0 HB2 LYS A 17 11.028 -1.586 10.423 1.00 44.11 H new ATOM 0 HB3 LYS A 17 10.132 -0.590 9.294 1.00 44.11 H new ATOM 0 HG2 LYS A 17 10.085 1.267 10.810 1.00 60.02 H new ATOM 0 HG3 LYS A 17 10.615 0.280 12.157 1.00 60.02 H new ATOM 0 HD2 LYS A 17 12.394 0.432 9.736 1.00 33.14 H new ATOM 0 HD3 LYS A 17 12.315 1.833 10.786 1.00 33.14 H new ATOM 0 HE2 LYS A 17 12.789 -0.939 11.918 1.00 31.35 H new ATOM 0 HE3 LYS A 17 14.114 0.005 11.266 1.00 31.35 H new ATOM 0 HZ1 LYS A 17 13.892 0.331 13.642 1.00 35.15 H new ATOM 0 HZ2 LYS A 17 13.577 1.786 12.826 1.00 35.15 H new ATOM 0 HZ3 LYS A 17 12.293 0.872 13.458 1.00 35.15 H new ATOM 283 N GLU A 18 6.866 -0.138 11.027 1.00 72.15 N ATOM 284 CA GLU A 18 5.693 0.553 10.507 1.00 70.22 C ATOM 285 C GLU A 18 5.606 1.972 11.064 1.00 4.12 C ATOM 286 O GLU A 18 5.937 2.214 12.223 1.00 51.53 O ATOM 287 CB GLU A 18 4.421 -0.221 10.853 1.00 44.43 C ATOM 288 CG GLU A 18 3.142 0.546 10.565 1.00 41.10 C ATOM 289 CD GLU A 18 1.897 -0.219 10.971 1.00 35.31 C ATOM 290 OE1 GLU A 18 1.837 -1.438 10.707 1.00 33.30 O ATOM 291 OE2 GLU A 18 0.983 0.402 11.554 1.00 71.41 O ATOM 0 H GLU A 18 6.933 -0.147 12.045 1.00 72.15 H new ATOM 0 HA GLU A 18 5.789 0.611 9.423 1.00 70.22 H new ATOM 0 HB2 GLU A 18 4.409 -1.154 10.289 1.00 44.43 H new ATOM 0 HB3 GLU A 18 4.444 -0.487 11.910 1.00 44.43 H new ATOM 0 HG2 GLU A 18 3.167 1.498 11.095 1.00 41.10 H new ATOM 0 HG3 GLU A 18 3.092 0.775 9.500 1.00 41.10 H new ATOM 296 N GLU A 19 5.157 2.902 10.228 1.00 75.11 N ATOM 297 CA GLU A 19 5.028 4.297 10.637 1.00 1.41 C ATOM 298 C GLU A 19 4.002 5.024 9.774 1.00 22.25 C ATOM 299 O GLU A 19 3.633 4.553 8.698 1.00 21.25 O ATOM 300 CB GLU A 19 6.381 5.006 10.547 1.00 23.32 C ATOM 301 CG GLU A 19 6.964 5.027 9.144 1.00 41.20 C ATOM 302 CD GLU A 19 8.311 5.721 9.083 1.00 62.41 C ATOM 303 OE1 GLU A 19 8.431 6.835 9.634 1.00 54.00 O ATOM 304 OE2 GLU A 19 9.246 5.150 8.482 1.00 0.02 O ATOM 0 H GLU A 19 4.877 2.716 9.265 1.00 75.11 H new ATOM 0 HA GLU A 19 4.685 4.315 11.672 1.00 1.41 H new ATOM 0 HB2 GLU A 19 6.269 6.031 10.900 1.00 23.32 H new ATOM 0 HB3 GLU A 19 7.085 4.513 11.217 1.00 23.32 H new ATOM 0 HG2 GLU A 19 7.070 4.004 8.783 1.00 41.20 H new ATOM 0 HG3 GLU A 19 6.269 5.531 8.473 1.00 41.20 H new ATOM 309 N THR A 20 3.543 6.176 10.254 1.00 63.42 N ATOM 310 CA THR A 20 2.558 6.968 9.528 1.00 13.11 C ATOM 311 C THR A 20 3.219 8.130 8.796 1.00 52.10 C ATOM 312 O THR A 20 4.311 8.566 9.160 1.00 75.31 O ATOM 313 CB THR A 20 1.475 7.521 10.473 1.00 74.20 C ATOM 314 OG1 THR A 20 2.074 7.976 11.691 1.00 73.23 O ATOM 315 CG2 THR A 20 0.432 6.457 10.781 1.00 12.42 C ATOM 0 H THR A 20 3.838 6.581 11.142 1.00 63.42 H new ATOM 0 HA THR A 20 2.091 6.303 8.802 1.00 13.11 H new ATOM 0 HB THR A 20 0.983 8.357 9.977 1.00 74.20 H new ATOM 0 HG1 THR A 20 1.570 8.742 12.037 1.00 73.23 H new ATOM 0 HG21 THR A 20 -0.323 6.870 11.450 1.00 12.42 H new ATOM 0 HG22 THR A 20 -0.042 6.134 9.854 1.00 12.42 H new ATOM 0 HG23 THR A 20 0.913 5.604 11.259 1.00 12.42 H new ATOM 323 N PHE A 21 2.550 8.630 7.762 1.00 40.34 N ATOM 324 CA PHE A 21 3.073 9.743 6.978 1.00 31.01 C ATOM 325 C PHE A 21 2.003 10.810 6.768 1.00 11.01 C ATOM 326 O PHE A 21 0.825 10.498 6.593 1.00 75.35 O ATOM 327 CB PHE A 21 3.585 9.245 5.626 1.00 60.55 C ATOM 328 CG PHE A 21 4.920 8.561 5.705 1.00 62.25 C ATOM 329 CD1 PHE A 21 6.053 9.264 6.083 1.00 62.42 C ATOM 330 CD2 PHE A 21 5.042 7.214 5.402 1.00 45.50 C ATOM 331 CE1 PHE A 21 7.282 8.636 6.157 1.00 73.33 C ATOM 332 CE2 PHE A 21 6.268 6.581 5.476 1.00 71.25 C ATOM 333 CZ PHE A 21 7.390 7.294 5.852 1.00 23.01 C ATOM 0 H PHE A 21 1.644 8.282 7.448 1.00 40.34 H new ATOM 0 HA PHE A 21 3.901 10.188 7.531 1.00 31.01 H new ATOM 0 HB2 PHE A 21 2.856 8.554 5.203 1.00 60.55 H new ATOM 0 HB3 PHE A 21 3.659 10.090 4.941 1.00 60.55 H new ATOM 0 HD1 PHE A 21 5.975 10.314 6.322 1.00 62.42 H new ATOM 0 HD2 PHE A 21 4.169 6.653 5.105 1.00 45.50 H new ATOM 0 HE1 PHE A 21 8.157 9.195 6.453 1.00 73.33 H new ATOM 0 HE2 PHE A 21 6.349 5.530 5.240 1.00 71.25 H new ATOM 0 HZ PHE A 21 8.350 6.802 5.907 1.00 23.01 H new ATOM 342 N ASN A 22 2.422 12.071 6.786 1.00 15.04 N ATOM 343 CA ASN A 22 1.500 13.187 6.599 1.00 43.02 C ATOM 344 C ASN A 22 1.668 13.804 5.214 1.00 20.41 C ATOM 345 O ASN A 22 2.679 13.590 4.546 1.00 32.45 O ATOM 346 CB ASN A 22 1.728 14.250 7.675 1.00 42.24 C ATOM 347 CG ASN A 22 3.067 14.947 7.525 1.00 23.12 C ATOM 348 OD1 ASN A 22 4.107 14.299 7.403 1.00 3.04 O ATOM 349 ND2 ASN A 22 3.046 16.275 7.534 1.00 64.42 N ATOM 0 H ASN A 22 3.394 12.346 6.928 1.00 15.04 H new ATOM 0 HA ASN A 22 0.483 12.805 6.686 1.00 43.02 H new ATOM 0 HB2 ASN A 22 0.929 14.990 7.626 1.00 42.24 H new ATOM 0 HB3 ASN A 22 1.672 13.785 8.659 1.00 42.24 H new ATOM 0 HD21 ASN A 22 3.915 16.799 7.437 1.00 64.42 H new ATOM 0 HD22 ASN A 22 2.160 16.770 7.638 1.00 64.42 H new ATOM 355 N GLY A 23 0.669 14.571 4.790 1.00 33.44 N ATOM 356 CA GLY A 23 0.725 15.209 3.487 1.00 21.54 C ATOM 357 C GLY A 23 -0.106 14.481 2.449 1.00 51.10 C ATOM 358 O GLY A 23 -1.184 14.941 2.072 1.00 53.41 O ATOM 0 H GLY A 23 -0.178 14.762 5.325 1.00 33.44 H new ATOM 0 HA2 GLY A 23 0.373 16.237 3.574 1.00 21.54 H new ATOM 0 HA3 GLY A 23 1.761 15.254 3.152 1.00 21.54 H new ATOM 362 N ILE A 24 0.396 13.342 1.983 1.00 75.03 N ATOM 363 CA ILE A 24 -0.308 12.550 0.982 1.00 72.14 C ATOM 364 C ILE A 24 -1.611 11.991 1.541 1.00 23.42 C ATOM 365 O ILE A 24 -1.674 11.568 2.695 1.00 70.34 O ATOM 366 CB ILE A 24 0.562 11.384 0.474 1.00 72.22 C ATOM 367 CG1 ILE A 24 1.756 11.919 -0.321 1.00 42.30 C ATOM 368 CG2 ILE A 24 -0.268 10.438 -0.380 1.00 64.11 C ATOM 369 CD1 ILE A 24 1.359 12.717 -1.543 1.00 63.15 C ATOM 0 H ILE A 24 1.287 12.947 2.283 1.00 75.03 H new ATOM 0 HA ILE A 24 -0.530 13.217 0.149 1.00 72.14 H new ATOM 0 HB ILE A 24 0.940 10.830 1.333 1.00 72.22 H new ATOM 0 HG12 ILE A 24 2.364 12.546 0.331 1.00 42.30 H new ATOM 0 HG13 ILE A 24 2.381 11.081 -0.631 1.00 42.30 H new ATOM 0 HG21 ILE A 24 0.360 9.619 -0.732 1.00 64.11 H new ATOM 0 HG22 ILE A 24 -1.089 10.036 0.215 1.00 64.11 H new ATOM 0 HG23 ILE A 24 -0.671 10.979 -1.236 1.00 64.11 H new ATOM 0 HD11 ILE A 24 2.255 13.065 -2.057 1.00 63.15 H new ATOM 0 HD12 ILE A 24 0.776 12.087 -2.215 1.00 63.15 H new ATOM 0 HD13 ILE A 24 0.760 13.575 -1.238 1.00 63.15 H new ATOM 380 N SER A 25 -2.651 11.991 0.713 1.00 64.34 N ATOM 381 CA SER A 25 -3.955 11.485 1.124 1.00 1.40 C ATOM 382 C SER A 25 -4.634 10.739 -0.020 1.00 31.05 C ATOM 383 O SER A 25 -5.822 10.927 -0.282 1.00 31.24 O ATOM 384 CB SER A 25 -4.846 12.636 1.597 1.00 23.03 C ATOM 385 OG SER A 25 -4.562 12.980 2.942 1.00 44.11 O ATOM 0 H SER A 25 -2.616 12.336 -0.246 1.00 64.34 H new ATOM 0 HA SER A 25 -3.803 10.789 1.949 1.00 1.40 H new ATOM 0 HB2 SER A 25 -4.694 13.505 0.956 1.00 23.03 H new ATOM 0 HB3 SER A 25 -5.894 12.351 1.505 1.00 23.03 H new ATOM 0 HG SER A 25 -5.033 12.366 3.543 1.00 44.11 H new ATOM 390 N LYS A 26 -3.871 9.890 -0.701 1.00 0.55 N ATOM 391 CA LYS A 26 -4.397 9.113 -1.817 1.00 41.12 C ATOM 392 C LYS A 26 -3.627 7.806 -1.980 1.00 31.31 C ATOM 393 O LYS A 26 -2.454 7.716 -1.616 1.00 52.11 O ATOM 394 CB LYS A 26 -4.322 9.927 -3.111 1.00 2.35 C ATOM 395 CG LYS A 26 -5.202 11.165 -3.102 1.00 3.02 C ATOM 396 CD LYS A 26 -5.093 11.936 -4.407 1.00 23.43 C ATOM 397 CE LYS A 26 -6.449 12.448 -4.866 1.00 1.34 C ATOM 398 NZ LYS A 26 -6.320 13.477 -5.935 1.00 2.25 N ATOM 0 H LYS A 26 -2.885 9.723 -0.499 1.00 0.55 H new ATOM 0 HA LYS A 26 -5.439 8.876 -1.604 1.00 41.12 H new ATOM 0 HB2 LYS A 26 -3.288 10.227 -3.282 1.00 2.35 H new ATOM 0 HB3 LYS A 26 -4.612 9.291 -3.948 1.00 2.35 H new ATOM 0 HG2 LYS A 26 -6.239 10.874 -2.936 1.00 3.02 H new ATOM 0 HG3 LYS A 26 -4.915 11.810 -2.272 1.00 3.02 H new ATOM 0 HD2 LYS A 26 -4.410 12.776 -4.279 1.00 23.43 H new ATOM 0 HD3 LYS A 26 -4.666 11.293 -5.176 1.00 23.43 H new ATOM 0 HE2 LYS A 26 -7.046 11.614 -5.235 1.00 1.34 H new ATOM 0 HE3 LYS A 26 -6.984 12.872 -4.016 1.00 1.34 H new ATOM 0 HZ1 LYS A 26 -7.266 13.801 -6.221 1.00 2.25 H new ATOM 0 HZ2 LYS A 26 -5.772 14.284 -5.575 1.00 2.25 H new ATOM 0 HZ3 LYS A 26 -5.832 13.065 -6.756 1.00 2.25 H new ATOM 408 N ILE A 27 -4.293 6.797 -2.532 1.00 1.23 N ATOM 409 CA ILE A 27 -3.670 5.498 -2.746 1.00 42.23 C ATOM 410 C ILE A 27 -2.605 5.571 -3.834 1.00 32.01 C ATOM 411 O ILE A 27 -1.652 4.791 -3.839 1.00 63.11 O ATOM 412 CB ILE A 27 -4.711 4.430 -3.133 1.00 13.12 C ATOM 413 CG1 ILE A 27 -5.646 4.148 -1.954 1.00 71.50 C ATOM 414 CG2 ILE A 27 -4.018 3.153 -3.584 1.00 34.23 C ATOM 415 CD1 ILE A 27 -4.959 3.479 -0.785 1.00 74.25 C ATOM 0 H ILE A 27 -5.264 6.855 -2.839 1.00 1.23 H new ATOM 0 HA ILE A 27 -3.203 5.214 -1.803 1.00 42.23 H new ATOM 0 HB ILE A 27 -5.307 4.809 -3.963 1.00 13.12 H new ATOM 0 HG12 ILE A 27 -6.086 5.087 -1.618 1.00 71.50 H new ATOM 0 HG13 ILE A 27 -6.466 3.515 -2.294 1.00 71.50 H new ATOM 0 HG21 ILE A 27 -4.767 2.408 -3.854 1.00 34.23 H new ATOM 0 HG22 ILE A 27 -3.390 3.366 -4.449 1.00 34.23 H new ATOM 0 HG23 ILE A 27 -3.400 2.768 -2.773 1.00 34.23 H new ATOM 0 HD11 ILE A 27 -5.682 3.310 0.013 1.00 74.25 H new ATOM 0 HD12 ILE A 27 -4.542 2.524 -1.106 1.00 74.25 H new ATOM 0 HD13 ILE A 27 -4.157 4.120 -0.419 1.00 74.25 H new ATOM 426 N SER A 28 -2.771 6.515 -4.755 1.00 0.24 N ATOM 427 CA SER A 28 -1.826 6.689 -5.851 1.00 11.21 C ATOM 428 C SER A 28 -0.437 7.036 -5.321 1.00 11.34 C ATOM 429 O SER A 28 0.547 6.376 -5.652 1.00 22.13 O ATOM 430 CB SER A 28 -2.310 7.787 -6.800 1.00 34.41 C ATOM 431 OG SER A 28 -1.217 8.446 -7.417 1.00 11.24 O ATOM 0 H SER A 28 -3.552 7.171 -4.764 1.00 0.24 H new ATOM 0 HA SER A 28 -1.763 5.748 -6.397 1.00 11.21 H new ATOM 0 HB2 SER A 28 -2.956 7.353 -7.564 1.00 34.41 H new ATOM 0 HB3 SER A 28 -2.910 8.510 -6.248 1.00 34.41 H new ATOM 0 HG SER A 28 -1.553 9.142 -8.020 1.00 11.24 H new ATOM 436 N GLU A 29 -0.369 8.076 -4.496 1.00 71.13 N ATOM 437 CA GLU A 29 0.898 8.510 -3.920 1.00 52.33 C ATOM 438 C GLU A 29 1.351 7.557 -2.818 1.00 15.34 C ATOM 439 O GLU A 29 2.548 7.380 -2.586 1.00 2.34 O ATOM 440 CB GLU A 29 0.770 9.929 -3.361 1.00 33.02 C ATOM 441 CG GLU A 29 1.121 11.013 -4.367 1.00 43.21 C ATOM 442 CD GLU A 29 2.616 11.243 -4.479 1.00 12.34 C ATOM 443 OE1 GLU A 29 3.351 10.820 -3.562 1.00 12.12 O ATOM 444 OE2 GLU A 29 3.050 11.848 -5.481 1.00 63.34 O ATOM 0 H GLU A 29 -1.175 8.633 -4.212 1.00 71.13 H new ATOM 0 HA GLU A 29 1.648 8.504 -4.711 1.00 52.33 H new ATOM 0 HB2 GLU A 29 -0.252 10.083 -3.015 1.00 33.02 H new ATOM 0 HB3 GLU A 29 1.420 10.028 -2.491 1.00 33.02 H new ATOM 0 HG2 GLU A 29 0.725 10.738 -5.345 1.00 43.21 H new ATOM 0 HG3 GLU A 29 0.635 11.944 -4.077 1.00 43.21 H new ATOM 449 N LEU A 30 0.385 6.946 -2.140 1.00 55.21 N ATOM 450 CA LEU A 30 0.682 6.011 -1.060 1.00 62.13 C ATOM 451 C LEU A 30 1.344 4.748 -1.601 1.00 5.01 C ATOM 452 O LEU A 30 2.386 4.317 -1.104 1.00 0.54 O ATOM 453 CB LEU A 30 -0.598 5.647 -0.306 1.00 71.32 C ATOM 454 CG LEU A 30 -0.409 4.959 1.045 1.00 53.43 C ATOM 455 CD1 LEU A 30 0.049 3.522 0.854 1.00 51.41 C ATOM 456 CD2 LEU A 30 0.588 5.729 1.901 1.00 22.23 C ATOM 0 H LEU A 30 -0.610 7.081 -2.319 1.00 55.21 H new ATOM 0 HA LEU A 30 1.375 6.497 -0.373 1.00 62.13 H new ATOM 0 HB2 LEU A 30 -1.175 6.558 -0.149 1.00 71.32 H new ATOM 0 HB3 LEU A 30 -1.198 4.996 -0.942 1.00 71.32 H new ATOM 0 HG LEU A 30 -1.369 4.947 1.562 1.00 53.43 H new ATOM 0 HD11 LEU A 30 0.178 3.049 1.827 1.00 51.41 H new ATOM 0 HD12 LEU A 30 -0.699 2.975 0.281 1.00 51.41 H new ATOM 0 HD13 LEU A 30 0.997 3.511 0.317 1.00 51.41 H new ATOM 0 HD21 LEU A 30 0.710 5.225 2.860 1.00 22.23 H new ATOM 0 HD22 LEU A 30 1.549 5.773 1.389 1.00 22.23 H new ATOM 0 HD23 LEU A 30 0.219 6.741 2.068 1.00 22.23 H new ATOM 467 N LEU A 31 0.734 4.158 -2.624 1.00 75.24 N ATOM 468 CA LEU A 31 1.264 2.945 -3.236 1.00 41.34 C ATOM 469 C LEU A 31 2.624 3.207 -3.876 1.00 20.14 C ATOM 470 O LEU A 31 3.588 2.483 -3.629 1.00 0.51 O ATOM 471 CB LEU A 31 0.288 2.410 -4.284 1.00 43.24 C ATOM 472 CG LEU A 31 -0.795 1.460 -3.770 1.00 62.33 C ATOM 473 CD1 LEU A 31 -1.713 1.034 -4.904 1.00 24.05 C ATOM 474 CD2 LEU A 31 -0.165 0.243 -3.106 1.00 14.03 C ATOM 0 H LEU A 31 -0.129 4.501 -3.047 1.00 75.24 H new ATOM 0 HA LEU A 31 1.390 2.198 -2.452 1.00 41.34 H new ATOM 0 HB2 LEU A 31 -0.199 3.259 -4.764 1.00 43.24 H new ATOM 0 HB3 LEU A 31 0.861 1.893 -5.054 1.00 43.24 H new ATOM 0 HG LEU A 31 -1.391 1.988 -3.026 1.00 62.33 H new ATOM 0 HD11 LEU A 31 -2.477 0.358 -4.519 1.00 24.05 H new ATOM 0 HD12 LEU A 31 -2.190 1.914 -5.336 1.00 24.05 H new ATOM 0 HD13 LEU A 31 -1.131 0.524 -5.671 1.00 24.05 H new ATOM 0 HD21 LEU A 31 -0.950 -0.422 -2.746 1.00 14.03 H new ATOM 0 HD22 LEU A 31 0.455 -0.286 -3.830 1.00 14.03 H new ATOM 0 HD23 LEU A 31 0.451 0.565 -2.266 1.00 14.03 H new ATOM 485 N GLU A 32 2.692 4.249 -4.700 1.00 45.44 N ATOM 486 CA GLU A 32 3.934 4.607 -5.375 1.00 51.22 C ATOM 487 C GLU A 32 5.045 4.875 -4.363 1.00 73.43 C ATOM 488 O GLU A 32 6.223 4.653 -4.646 1.00 1.44 O ATOM 489 CB GLU A 32 3.724 5.839 -6.256 1.00 30.54 C ATOM 490 CG GLU A 32 4.963 6.250 -7.034 1.00 53.41 C ATOM 491 CD GLU A 32 4.949 7.717 -7.421 1.00 62.23 C ATOM 492 OE1 GLU A 32 3.955 8.159 -8.032 1.00 34.42 O ATOM 493 OE2 GLU A 32 5.934 8.420 -7.112 1.00 21.41 O ATOM 0 H GLU A 32 1.903 4.859 -4.916 1.00 45.44 H new ATOM 0 HA GLU A 32 4.232 3.767 -6.002 1.00 51.22 H new ATOM 0 HB2 GLU A 32 2.914 5.639 -6.958 1.00 30.54 H new ATOM 0 HB3 GLU A 32 3.405 6.673 -5.630 1.00 30.54 H new ATOM 0 HG2 GLU A 32 5.849 6.045 -6.433 1.00 53.41 H new ATOM 0 HG3 GLU A 32 5.040 5.641 -7.935 1.00 53.41 H new ATOM 498 N ARG A 33 4.661 5.357 -3.186 1.00 42.13 N ATOM 499 CA ARG A 33 5.624 5.658 -2.133 1.00 65.22 C ATOM 500 C ARG A 33 6.251 4.377 -1.587 1.00 12.54 C ATOM 501 O ARG A 33 7.473 4.263 -1.494 1.00 43.44 O ATOM 502 CB ARG A 33 4.948 6.431 -1.000 1.00 71.14 C ATOM 503 CG ARG A 33 5.884 6.770 0.149 1.00 13.11 C ATOM 504 CD ARG A 33 6.854 7.877 -0.231 1.00 32.31 C ATOM 505 NE ARG A 33 7.549 8.420 0.932 1.00 60.02 N ATOM 506 CZ ARG A 33 8.357 9.474 0.881 1.00 43.25 C ATOM 507 NH1 ARG A 33 8.570 10.095 -0.271 1.00 30.04 N ATOM 508 NH2 ARG A 33 8.954 9.908 1.984 1.00 61.22 N ATOM 0 H ARG A 33 3.690 5.548 -2.937 1.00 42.13 H new ATOM 0 HA ARG A 33 6.414 6.274 -2.563 1.00 65.22 H new ATOM 0 HB2 ARG A 33 4.529 7.354 -1.401 1.00 71.14 H new ATOM 0 HB3 ARG A 33 4.114 5.843 -0.617 1.00 71.14 H new ATOM 0 HG2 ARG A 33 5.300 7.078 1.016 1.00 13.11 H new ATOM 0 HG3 ARG A 33 6.442 5.880 0.440 1.00 13.11 H new ATOM 0 HD2 ARG A 33 7.584 7.490 -0.942 1.00 32.31 H new ATOM 0 HD3 ARG A 33 6.311 8.677 -0.735 1.00 32.31 H new ATOM 0 HE ARG A 33 7.407 7.965 1.834 1.00 60.02 H new ATOM 0 HH11 ARG A 33 8.113 9.764 -1.121 1.00 30.04 H new ATOM 0 HH12 ARG A 33 9.191 10.904 -0.307 1.00 30.04 H new ATOM 0 HH21 ARG A 33 8.793 9.433 2.872 1.00 61.22 H new ATOM 0 HH22 ARG A 33 9.574 10.717 1.944 1.00 61.22 H new ATOM 519 N LEU A 34 5.405 3.418 -1.227 1.00 53.12 N ATOM 520 CA LEU A 34 5.876 2.146 -0.689 1.00 13.25 C ATOM 521 C LEU A 34 6.527 1.303 -1.779 1.00 42.52 C ATOM 522 O LEU A 34 7.453 0.534 -1.515 1.00 12.33 O ATOM 523 CB LEU A 34 4.714 1.376 -0.058 1.00 14.10 C ATOM 524 CG LEU A 34 3.863 2.151 0.948 1.00 14.22 C ATOM 525 CD1 LEU A 34 2.641 1.339 1.352 1.00 34.31 C ATOM 526 CD2 LEU A 34 4.688 2.522 2.172 1.00 74.22 C ATOM 0 H LEU A 34 4.390 3.497 -1.298 1.00 53.12 H new ATOM 0 HA LEU A 34 6.623 2.357 0.077 1.00 13.25 H new ATOM 0 HB2 LEU A 34 4.063 1.021 -0.857 1.00 14.10 H new ATOM 0 HB3 LEU A 34 5.117 0.494 0.440 1.00 14.10 H new ATOM 0 HG LEU A 34 3.522 3.071 0.473 1.00 14.22 H new ATOM 0 HD11 LEU A 34 2.047 1.907 2.068 1.00 34.31 H new ATOM 0 HD12 LEU A 34 2.038 1.126 0.469 1.00 34.31 H new ATOM 0 HD13 LEU A 34 2.961 0.402 1.808 1.00 34.31 H new ATOM 0 HD21 LEU A 34 4.066 3.073 2.877 1.00 74.22 H new ATOM 0 HD22 LEU A 34 5.060 1.615 2.649 1.00 74.22 H new ATOM 0 HD23 LEU A 34 5.530 3.144 1.868 1.00 74.22 H new ATOM 537 N LYS A 35 6.040 1.452 -3.006 1.00 61.14 N ATOM 538 CA LYS A 35 6.577 0.706 -4.139 1.00 71.03 C ATOM 539 C LYS A 35 8.076 0.950 -4.289 1.00 2.12 C ATOM 540 O LYS A 35 8.853 0.011 -4.458 1.00 63.04 O ATOM 541 CB LYS A 35 5.853 1.104 -5.427 1.00 5.31 C ATOM 542 CG LYS A 35 6.435 0.463 -6.674 1.00 33.43 C ATOM 543 CD LYS A 35 6.856 1.508 -7.694 1.00 54.13 C ATOM 544 CE LYS A 35 5.680 1.965 -8.542 1.00 35.01 C ATOM 545 NZ LYS A 35 6.120 2.788 -9.703 1.00 11.23 N ATOM 0 H LYS A 35 5.274 2.083 -3.242 1.00 61.14 H new ATOM 0 HA LYS A 35 6.416 -0.356 -3.953 1.00 71.03 H new ATOM 0 HB2 LYS A 35 4.802 0.828 -5.343 1.00 5.31 H new ATOM 0 HB3 LYS A 35 5.890 2.188 -5.535 1.00 5.31 H new ATOM 0 HG2 LYS A 35 7.295 -0.149 -6.402 1.00 33.43 H new ATOM 0 HG3 LYS A 35 5.697 -0.205 -7.119 1.00 33.43 H new ATOM 0 HD2 LYS A 35 7.290 2.366 -7.180 1.00 54.13 H new ATOM 0 HD3 LYS A 35 7.633 1.096 -8.339 1.00 54.13 H new ATOM 0 HE2 LYS A 35 5.131 1.094 -8.901 1.00 35.01 H new ATOM 0 HE3 LYS A 35 4.992 2.544 -7.926 1.00 35.01 H new ATOM 0 HZ1 LYS A 35 5.289 3.080 -10.256 1.00 11.23 H new ATOM 0 HZ2 LYS A 35 6.622 3.632 -9.360 1.00 11.23 H new ATOM 0 HZ3 LYS A 35 6.757 2.227 -10.304 1.00 11.23 H new ATOM 555 N VAL A 36 8.474 2.216 -4.226 1.00 31.34 N ATOM 556 CA VAL A 36 9.879 2.583 -4.354 1.00 42.24 C ATOM 557 C VAL A 36 10.642 2.293 -3.066 1.00 44.12 C ATOM 558 O VAL A 36 11.823 1.949 -3.096 1.00 3.30 O ATOM 559 CB VAL A 36 10.041 4.074 -4.707 1.00 4.10 C ATOM 560 CG1 VAL A 36 9.401 4.949 -3.641 1.00 43.03 C ATOM 561 CG2 VAL A 36 11.511 4.422 -4.883 1.00 74.41 C ATOM 0 H VAL A 36 7.843 3.005 -4.087 1.00 31.34 H new ATOM 0 HA VAL A 36 10.291 1.979 -5.162 1.00 42.24 H new ATOM 0 HB VAL A 36 9.530 4.263 -5.651 1.00 4.10 H new ATOM 0 HG11 VAL A 36 9.526 5.998 -3.908 1.00 43.03 H new ATOM 0 HG12 VAL A 36 8.338 4.717 -3.569 1.00 43.03 H new ATOM 0 HG13 VAL A 36 9.879 4.760 -2.680 1.00 43.03 H new ATOM 0 HG21 VAL A 36 11.607 5.479 -5.132 1.00 74.41 H new ATOM 0 HG22 VAL A 36 12.047 4.217 -3.956 1.00 74.41 H new ATOM 0 HG23 VAL A 36 11.934 3.820 -5.687 1.00 74.41 H new ATOM 571 N GLU A 37 9.956 2.432 -1.934 1.00 73.33 N ATOM 572 CA GLU A 37 10.570 2.184 -0.635 1.00 72.15 C ATOM 573 C GLU A 37 11.331 0.862 -0.636 1.00 61.32 C ATOM 574 O GLU A 37 12.500 0.805 -0.253 1.00 71.05 O ATOM 575 CB GLU A 37 9.505 2.172 0.463 1.00 41.23 C ATOM 576 CG GLU A 37 9.248 3.538 1.077 1.00 53.41 C ATOM 577 CD GLU A 37 10.211 3.861 2.203 1.00 51.10 C ATOM 578 OE1 GLU A 37 10.074 3.262 3.290 1.00 3.45 O ATOM 579 OE2 GLU A 37 11.100 4.713 1.998 1.00 2.23 O ATOM 0 H GLU A 37 8.977 2.714 -1.891 1.00 73.33 H new ATOM 0 HA GLU A 37 11.277 2.989 -0.436 1.00 72.15 H new ATOM 0 HB2 GLU A 37 8.573 1.788 0.049 1.00 41.23 H new ATOM 0 HB3 GLU A 37 9.813 1.482 1.249 1.00 41.23 H new ATOM 0 HG2 GLU A 37 9.330 4.301 0.303 1.00 53.41 H new ATOM 0 HG3 GLU A 37 8.226 3.576 1.455 1.00 53.41 H new ATOM 584 N TYR A 38 10.660 -0.200 -1.068 1.00 33.43 N ATOM 585 CA TYR A 38 11.271 -1.523 -1.117 1.00 2.40 C ATOM 586 C TYR A 38 11.647 -1.897 -2.546 1.00 64.31 C ATOM 587 O TYR A 38 12.688 -2.507 -2.787 1.00 62.04 O ATOM 588 CB TYR A 38 10.316 -2.569 -0.538 1.00 24.20 C ATOM 589 CG TYR A 38 10.999 -3.859 -0.144 1.00 23.25 C ATOM 590 CD1 TYR A 38 11.659 -3.975 1.074 1.00 11.23 C ATOM 591 CD2 TYR A 38 10.986 -4.962 -0.989 1.00 4.32 C ATOM 592 CE1 TYR A 38 12.284 -5.151 1.437 1.00 53.44 C ATOM 593 CE2 TYR A 38 11.608 -6.143 -0.632 1.00 43.40 C ATOM 594 CZ TYR A 38 12.255 -6.233 0.582 1.00 72.13 C ATOM 595 OH TYR A 38 12.877 -7.406 0.940 1.00 50.14 O ATOM 0 H TYR A 38 9.692 -0.170 -1.389 1.00 33.43 H new ATOM 0 HA TYR A 38 12.181 -1.498 -0.517 1.00 2.40 H new ATOM 0 HB2 TYR A 38 9.818 -2.150 0.336 1.00 24.20 H new ATOM 0 HB3 TYR A 38 9.541 -2.788 -1.273 1.00 24.20 H new ATOM 0 HD1 TYR A 38 11.683 -3.131 1.747 1.00 11.23 H new ATOM 0 HD2 TYR A 38 10.481 -4.895 -1.941 1.00 4.32 H new ATOM 0 HE1 TYR A 38 12.794 -5.224 2.386 1.00 53.44 H new ATOM 0 HE2 TYR A 38 11.587 -6.991 -1.300 1.00 43.40 H new ATOM 0 HH TYR A 38 12.508 -7.726 1.790 1.00 50.14 H new ATOM 604 N GLY A 39 10.791 -1.527 -3.494 1.00 35.10 N ATOM 605 CA GLY A 39 11.051 -1.830 -4.889 1.00 61.23 C ATOM 606 C GLY A 39 9.940 -2.645 -5.522 1.00 74.11 C ATOM 607 O GLY A 39 8.787 -2.568 -5.098 1.00 31.13 O ATOM 0 H GLY A 39 9.922 -1.023 -3.320 1.00 35.10 H new ATOM 0 HA2 GLY A 39 11.176 -0.899 -5.443 1.00 61.23 H new ATOM 0 HA3 GLY A 39 11.990 -2.377 -4.970 1.00 61.23 H new ATOM 611 N SER A 40 10.287 -3.426 -6.540 1.00 11.35 N ATOM 612 CA SER A 40 9.309 -4.253 -7.236 1.00 3.21 C ATOM 613 C SER A 40 8.903 -5.449 -6.380 1.00 23.10 C ATOM 614 O SER A 40 7.773 -5.930 -6.465 1.00 43.15 O ATOM 615 CB SER A 40 9.876 -4.736 -8.572 1.00 71.12 C ATOM 616 OG SER A 40 11.084 -5.454 -8.383 1.00 14.00 O ATOM 0 H SER A 40 11.238 -3.503 -6.901 1.00 11.35 H new ATOM 0 HA SER A 40 8.424 -3.645 -7.424 1.00 3.21 H new ATOM 0 HB2 SER A 40 9.146 -5.372 -9.072 1.00 71.12 H new ATOM 0 HB3 SER A 40 10.055 -3.882 -9.225 1.00 71.12 H new ATOM 0 HG SER A 40 11.426 -5.754 -9.251 1.00 14.00 H new ATOM 621 N GLU A 41 9.833 -5.923 -5.557 1.00 22.11 N ATOM 622 CA GLU A 41 9.573 -7.064 -4.687 1.00 25.02 C ATOM 623 C GLU A 41 8.296 -6.850 -3.878 1.00 63.34 C ATOM 624 O GLU A 41 7.422 -7.716 -3.836 1.00 44.35 O ATOM 625 CB GLU A 41 10.755 -7.295 -3.744 1.00 21.30 C ATOM 626 CG GLU A 41 11.722 -8.361 -4.231 1.00 4.11 C ATOM 627 CD GLU A 41 11.237 -9.768 -3.935 1.00 72.24 C ATOM 628 OE1 GLU A 41 10.007 -9.977 -3.900 1.00 13.11 O ATOM 629 OE2 GLU A 41 12.090 -10.659 -3.738 1.00 30.52 O ATOM 0 H GLU A 41 10.773 -5.535 -5.474 1.00 22.11 H new ATOM 0 HA GLU A 41 9.442 -7.945 -5.315 1.00 25.02 H new ATOM 0 HB2 GLU A 41 11.296 -6.357 -3.616 1.00 21.30 H new ATOM 0 HB3 GLU A 41 10.376 -7.581 -2.763 1.00 21.30 H new ATOM 0 HG2 GLU A 41 11.869 -8.250 -5.305 1.00 4.11 H new ATOM 0 HG3 GLU A 41 12.693 -8.209 -3.759 1.00 4.11 H new ATOM 634 N PHE A 42 8.198 -5.692 -3.235 1.00 52.10 N ATOM 635 CA PHE A 42 7.030 -5.363 -2.425 1.00 64.30 C ATOM 636 C PHE A 42 5.797 -5.168 -3.303 1.00 44.31 C ATOM 637 O PHE A 42 4.745 -5.758 -3.056 1.00 11.45 O ATOM 638 CB PHE A 42 7.292 -4.099 -1.604 1.00 51.31 C ATOM 639 CG PHE A 42 6.071 -3.577 -0.902 1.00 31.43 C ATOM 640 CD1 PHE A 42 5.217 -2.689 -1.537 1.00 70.25 C ATOM 641 CD2 PHE A 42 5.776 -3.975 0.391 1.00 54.32 C ATOM 642 CE1 PHE A 42 4.094 -2.206 -0.894 1.00 13.14 C ATOM 643 CE2 PHE A 42 4.653 -3.496 1.040 1.00 71.11 C ATOM 644 CZ PHE A 42 3.810 -2.611 0.397 1.00 34.42 C ATOM 0 H PHE A 42 8.913 -4.965 -3.259 1.00 52.10 H new ATOM 0 HA PHE A 42 6.843 -6.195 -1.747 1.00 64.30 H new ATOM 0 HB2 PHE A 42 8.065 -4.309 -0.864 1.00 51.31 H new ATOM 0 HB3 PHE A 42 7.683 -3.323 -2.262 1.00 51.31 H new ATOM 0 HD1 PHE A 42 5.432 -2.371 -2.546 1.00 70.25 H new ATOM 0 HD2 PHE A 42 6.431 -4.668 0.899 1.00 54.32 H new ATOM 0 HE1 PHE A 42 3.438 -1.512 -1.399 1.00 13.14 H new ATOM 0 HE2 PHE A 42 4.435 -3.814 2.049 1.00 71.11 H new ATOM 0 HZ PHE A 42 2.931 -2.236 0.901 1.00 34.42 H new ATOM 653 N THR A 43 5.934 -4.334 -4.329 1.00 65.44 N ATOM 654 CA THR A 43 4.833 -4.059 -5.242 1.00 40.11 C ATOM 655 C THR A 43 4.225 -5.350 -5.776 1.00 65.22 C ATOM 656 O THR A 43 3.024 -5.585 -5.645 1.00 13.22 O ATOM 657 CB THR A 43 5.291 -3.191 -6.430 1.00 12.20 C ATOM 658 OG1 THR A 43 6.382 -2.353 -6.032 1.00 62.00 O ATOM 659 CG2 THR A 43 4.148 -2.331 -6.945 1.00 3.04 C ATOM 0 H THR A 43 6.798 -3.837 -4.548 1.00 65.44 H new ATOM 0 HA THR A 43 4.080 -3.515 -4.672 1.00 40.11 H new ATOM 0 HB THR A 43 5.615 -3.854 -7.232 1.00 12.20 H new ATOM 0 HG1 THR A 43 7.207 -2.881 -6.003 1.00 62.00 H new ATOM 0 HG21 THR A 43 4.496 -1.727 -7.783 1.00 3.04 H new ATOM 0 HG22 THR A 43 3.330 -2.972 -7.274 1.00 3.04 H new ATOM 0 HG23 THR A 43 3.797 -1.676 -6.147 1.00 3.04 H new ATOM 667 N LYS A 44 5.062 -6.188 -6.380 1.00 0.42 N ATOM 668 CA LYS A 44 4.608 -7.458 -6.932 1.00 64.12 C ATOM 669 C LYS A 44 3.980 -8.329 -5.849 1.00 21.12 C ATOM 670 O LYS A 44 3.137 -9.179 -6.136 1.00 13.35 O ATOM 671 CB LYS A 44 5.776 -8.200 -7.586 1.00 42.23 C ATOM 672 CG LYS A 44 6.338 -7.496 -8.807 1.00 34.42 C ATOM 673 CD LYS A 44 7.448 -8.305 -9.458 1.00 51.33 C ATOM 674 CE LYS A 44 8.714 -8.290 -8.615 1.00 33.40 C ATOM 675 NZ LYS A 44 9.533 -9.516 -8.822 1.00 3.30 N ATOM 0 H LYS A 44 6.059 -6.009 -6.499 1.00 0.42 H new ATOM 0 HA LYS A 44 3.851 -7.247 -7.687 1.00 64.12 H new ATOM 0 HB2 LYS A 44 6.572 -8.326 -6.852 1.00 42.23 H new ATOM 0 HB3 LYS A 44 5.446 -9.198 -7.873 1.00 42.23 H new ATOM 0 HG2 LYS A 44 5.540 -7.326 -9.529 1.00 34.42 H new ATOM 0 HG3 LYS A 44 6.721 -6.517 -8.519 1.00 34.42 H new ATOM 0 HD2 LYS A 44 7.116 -9.333 -9.600 1.00 51.33 H new ATOM 0 HD3 LYS A 44 7.663 -7.900 -10.447 1.00 51.33 H new ATOM 0 HE2 LYS A 44 9.307 -7.411 -8.866 1.00 33.40 H new ATOM 0 HE3 LYS A 44 8.448 -8.205 -7.561 1.00 33.40 H new ATOM 0 HZ1 LYS A 44 10.387 -9.467 -8.230 1.00 3.30 H new ATOM 0 HZ2 LYS A 44 8.976 -10.354 -8.558 1.00 3.30 H new ATOM 0 HZ3 LYS A 44 9.809 -9.584 -9.822 1.00 3.30 H new ATOM 685 N GLN A 45 4.395 -8.111 -4.606 1.00 10.11 N ATOM 686 CA GLN A 45 3.872 -8.877 -3.481 1.00 22.24 C ATOM 687 C GLN A 45 2.405 -8.543 -3.230 1.00 74.11 C ATOM 688 O GLN A 45 1.595 -9.427 -2.955 1.00 41.50 O ATOM 689 CB GLN A 45 4.694 -8.599 -2.221 1.00 0.22 C ATOM 690 CG GLN A 45 4.594 -9.698 -1.175 1.00 54.53 C ATOM 691 CD GLN A 45 5.671 -10.752 -1.333 1.00 42.23 C ATOM 692 OE1 GLN A 45 6.364 -10.801 -2.349 1.00 3.22 O ATOM 693 NE2 GLN A 45 5.818 -11.604 -0.324 1.00 74.53 N ATOM 0 H GLN A 45 5.092 -7.411 -4.352 1.00 10.11 H new ATOM 0 HA GLN A 45 3.947 -9.936 -3.729 1.00 22.24 H new ATOM 0 HB2 GLN A 45 5.739 -8.469 -2.501 1.00 0.22 H new ATOM 0 HB3 GLN A 45 4.362 -7.659 -1.781 1.00 0.22 H new ATOM 0 HG2 GLN A 45 4.666 -9.256 -0.181 1.00 54.53 H new ATOM 0 HG3 GLN A 45 3.615 -10.171 -1.243 1.00 54.53 H new ATOM 0 HE21 GLN A 45 5.221 -11.527 0.500 1.00 74.53 H new ATOM 0 HE22 GLN A 45 6.527 -12.335 -0.373 1.00 74.53 H new ATOM 700 N MET A 46 2.071 -7.260 -3.327 1.00 34.44 N ATOM 701 CA MET A 46 0.701 -6.809 -3.111 1.00 71.21 C ATOM 702 C MET A 46 0.000 -6.545 -4.440 1.00 12.41 C ATOM 703 O MET A 46 -1.128 -6.051 -4.470 1.00 63.02 O ATOM 704 CB MET A 46 0.688 -5.542 -2.254 1.00 42.51 C ATOM 705 CG MET A 46 -0.695 -5.168 -1.744 1.00 32.22 C ATOM 706 SD MET A 46 -0.642 -3.904 -0.458 1.00 24.14 S ATOM 707 CE MET A 46 -0.173 -2.466 -1.416 1.00 21.53 C ATOM 0 H MET A 46 2.730 -6.515 -3.554 1.00 34.44 H new ATOM 0 HA MET A 46 0.163 -7.599 -2.587 1.00 71.21 H new ATOM 0 HB2 MET A 46 1.355 -5.682 -1.403 1.00 42.51 H new ATOM 0 HB3 MET A 46 1.087 -4.713 -2.839 1.00 42.51 H new ATOM 0 HG2 MET A 46 -1.300 -4.809 -2.576 1.00 32.22 H new ATOM 0 HG3 MET A 46 -1.187 -6.059 -1.353 1.00 32.22 H new ATOM 0 HE1 MET A 46 -0.635 -1.577 -0.988 1.00 21.53 H new ATOM 0 HE2 MET A 46 0.911 -2.355 -1.399 1.00 21.53 H new ATOM 0 HE3 MET A 46 -0.509 -2.589 -2.446 1.00 21.53 H new ATOM 715 N TYR A 47 0.675 -6.876 -5.536 1.00 10.34 N ATOM 716 CA TYR A 47 0.117 -6.672 -6.867 1.00 50.31 C ATOM 717 C TYR A 47 1.070 -7.186 -7.942 1.00 50.44 C ATOM 718 O TYR A 47 1.883 -6.432 -8.479 1.00 1.31 O ATOM 719 CB TYR A 47 -0.177 -5.189 -7.098 1.00 53.52 C ATOM 720 CG TYR A 47 -1.374 -4.940 -7.988 1.00 52.33 C ATOM 721 CD1 TYR A 47 -2.592 -5.561 -7.738 1.00 33.31 C ATOM 722 CD2 TYR A 47 -1.288 -4.083 -9.078 1.00 73.34 C ATOM 723 CE1 TYR A 47 -3.687 -5.337 -8.550 1.00 64.23 C ATOM 724 CE2 TYR A 47 -2.378 -3.851 -9.895 1.00 43.35 C ATOM 725 CZ TYR A 47 -3.576 -4.482 -9.626 1.00 74.02 C ATOM 726 OH TYR A 47 -4.665 -4.255 -10.436 1.00 31.11 O ATOM 0 H TYR A 47 1.609 -7.286 -5.528 1.00 10.34 H new ATOM 0 HA TYR A 47 -0.814 -7.235 -6.933 1.00 50.31 H new ATOM 0 HB2 TYR A 47 -0.344 -4.706 -6.135 1.00 53.52 H new ATOM 0 HB3 TYR A 47 0.700 -4.718 -7.543 1.00 53.52 H new ATOM 0 HD1 TYR A 47 -2.684 -6.230 -6.895 1.00 33.31 H new ATOM 0 HD2 TYR A 47 -0.352 -3.589 -9.291 1.00 73.34 H new ATOM 0 HE1 TYR A 47 -4.626 -5.829 -8.343 1.00 64.23 H new ATOM 0 HE2 TYR A 47 -2.293 -3.181 -10.738 1.00 43.35 H new ATOM 0 HH TYR A 47 -4.937 -5.095 -10.862 1.00 31.11 H new ATOM 735 N ASP A 48 0.964 -8.473 -8.251 1.00 1.11 N ATOM 736 CA ASP A 48 1.814 -9.090 -9.262 1.00 11.31 C ATOM 737 C ASP A 48 1.175 -8.990 -10.643 1.00 22.24 C ATOM 738 O ASP A 48 0.428 -9.875 -11.059 1.00 71.41 O ATOM 739 CB ASP A 48 2.078 -10.556 -8.914 1.00 15.41 C ATOM 740 CG ASP A 48 3.272 -11.121 -9.655 1.00 63.41 C ATOM 741 OD1 ASP A 48 4.408 -10.954 -9.164 1.00 11.20 O ATOM 742 OD2 ASP A 48 3.072 -11.731 -10.727 1.00 52.32 O ATOM 0 H ASP A 48 0.297 -9.110 -7.815 1.00 1.11 H new ATOM 0 HA ASP A 48 2.762 -8.553 -9.280 1.00 11.31 H new ATOM 0 HB2 ASP A 48 2.244 -10.647 -7.841 1.00 15.41 H new ATOM 0 HB3 ASP A 48 1.194 -11.148 -9.151 1.00 15.41 H new ATOM 746 N GLY A 49 1.473 -7.904 -11.351 1.00 52.30 N ATOM 747 CA GLY A 49 0.919 -7.708 -12.678 1.00 52.01 C ATOM 748 C GLY A 49 -0.419 -6.997 -12.648 1.00 3.51 C ATOM 749 O GLY A 49 -0.477 -5.770 -12.583 1.00 73.21 O ATOM 0 H GLY A 49 2.088 -7.157 -11.029 1.00 52.30 H new ATOM 0 HA2 GLY A 49 1.621 -7.130 -13.280 1.00 52.01 H new ATOM 0 HA3 GLY A 49 0.802 -8.676 -13.166 1.00 52.01 H new ATOM 753 N ASN A 50 -1.500 -7.770 -12.695 1.00 60.43 N ATOM 754 CA ASN A 50 -2.845 -7.206 -12.674 1.00 25.21 C ATOM 755 C ASN A 50 -3.577 -7.593 -11.394 1.00 14.14 C ATOM 756 O ASN A 50 -4.508 -6.910 -10.969 1.00 71.13 O ATOM 757 CB ASN A 50 -3.638 -7.683 -13.893 1.00 53.30 C ATOM 758 CG ASN A 50 -2.781 -7.777 -15.140 1.00 32.53 C ATOM 759 OD1 ASN A 50 -2.153 -6.800 -15.551 1.00 14.42 O ATOM 760 ND2 ASN A 50 -2.753 -8.955 -15.751 1.00 22.32 N ATOM 0 H ASN A 50 -1.470 -8.788 -12.748 1.00 60.43 H new ATOM 0 HA ASN A 50 -2.758 -6.120 -12.707 1.00 25.21 H new ATOM 0 HB2 ASN A 50 -4.073 -8.659 -13.680 1.00 53.30 H new ATOM 0 HB3 ASN A 50 -4.466 -6.998 -14.075 1.00 53.30 H new ATOM 0 HD21 ASN A 50 -2.196 -9.078 -16.596 1.00 22.32 H new ATOM 0 HD22 ASN A 50 -3.289 -9.737 -15.375 1.00 22.32 H new ATOM 766 N ASN A 51 -3.150 -8.694 -10.783 1.00 55.13 N ATOM 767 CA ASN A 51 -3.765 -9.171 -9.550 1.00 74.14 C ATOM 768 C ASN A 51 -2.713 -9.737 -8.601 1.00 22.51 C ATOM 769 O ASN A 51 -1.588 -10.033 -9.008 1.00 1.02 O ATOM 770 CB ASN A 51 -4.816 -10.240 -9.860 1.00 74.42 C ATOM 771 CG ASN A 51 -4.196 -11.596 -10.136 1.00 11.51 C ATOM 772 OD1 ASN A 51 -4.372 -12.539 -9.364 1.00 32.44 O ATOM 773 ND2 ASN A 51 -3.467 -11.700 -11.241 1.00 53.43 N ATOM 0 H ASN A 51 -2.381 -9.272 -11.122 1.00 55.13 H new ATOM 0 HA ASN A 51 -4.250 -8.324 -9.064 1.00 74.14 H new ATOM 0 HB2 ASN A 51 -5.505 -10.323 -9.020 1.00 74.42 H new ATOM 0 HB3 ASN A 51 -5.403 -9.929 -10.724 1.00 74.42 H new ATOM 0 HD21 ASN A 51 -3.026 -12.588 -11.479 1.00 53.43 H new ATOM 0 HD22 ASN A 51 -3.348 -10.892 -11.852 1.00 53.43 H new ATOM 779 N LEU A 52 -3.085 -9.887 -7.335 1.00 14.24 N ATOM 780 CA LEU A 52 -2.175 -10.417 -6.327 1.00 44.23 C ATOM 781 C LEU A 52 -1.529 -11.715 -6.805 1.00 12.24 C ATOM 782 O LEU A 52 -2.058 -12.395 -7.685 1.00 51.44 O ATOM 783 CB LEU A 52 -2.921 -10.660 -5.014 1.00 62.13 C ATOM 784 CG LEU A 52 -3.664 -9.457 -4.432 1.00 1.34 C ATOM 785 CD1 LEU A 52 -3.015 -8.158 -4.886 1.00 5.00 C ATOM 786 CD2 LEU A 52 -5.131 -9.492 -4.834 1.00 32.30 C ATOM 0 H LEU A 52 -4.012 -9.649 -6.982 1.00 14.24 H new ATOM 0 HA LEU A 52 -1.389 -9.680 -6.160 1.00 44.23 H new ATOM 0 HB2 LEU A 52 -3.640 -11.464 -5.171 1.00 62.13 H new ATOM 0 HB3 LEU A 52 -2.205 -11.013 -4.272 1.00 62.13 H new ATOM 0 HG LEU A 52 -3.604 -9.508 -3.345 1.00 1.34 H new ATOM 0 HD11 LEU A 52 -3.557 -7.313 -4.462 1.00 5.00 H new ATOM 0 HD12 LEU A 52 -1.979 -8.131 -4.548 1.00 5.00 H new ATOM 0 HD13 LEU A 52 -3.043 -8.098 -5.974 1.00 5.00 H new ATOM 0 HD21 LEU A 52 -5.645 -8.629 -4.411 1.00 32.30 H new ATOM 0 HD22 LEU A 52 -5.211 -9.466 -5.921 1.00 32.30 H new ATOM 0 HD23 LEU A 52 -5.589 -10.407 -4.458 1.00 32.30 H new ATOM 797 N PHE A 53 -0.385 -12.052 -6.218 1.00 24.35 N ATOM 798 CA PHE A 53 0.331 -13.268 -6.584 1.00 64.12 C ATOM 799 C PHE A 53 -0.324 -14.495 -5.957 1.00 5.14 C ATOM 800 O PHE A 53 -0.845 -15.363 -6.658 1.00 60.00 O ATOM 801 CB PHE A 53 1.793 -13.176 -6.143 1.00 74.54 C ATOM 802 CG PHE A 53 2.554 -14.460 -6.315 1.00 0.22 C ATOM 803 CD1 PHE A 53 3.004 -14.852 -7.564 1.00 73.54 C ATOM 804 CD2 PHE A 53 2.816 -15.276 -5.226 1.00 12.40 C ATOM 805 CE1 PHE A 53 3.705 -16.033 -7.725 1.00 55.01 C ATOM 806 CE2 PHE A 53 3.515 -16.457 -5.380 1.00 64.40 C ATOM 807 CZ PHE A 53 3.959 -16.837 -6.632 1.00 62.33 C ATOM 0 H PHE A 53 0.065 -11.500 -5.488 1.00 24.35 H new ATOM 0 HA PHE A 53 0.291 -13.371 -7.668 1.00 64.12 H new ATOM 0 HB2 PHE A 53 2.288 -12.391 -6.715 1.00 74.54 H new ATOM 0 HB3 PHE A 53 1.830 -12.879 -5.095 1.00 74.54 H new ATOM 0 HD1 PHE A 53 2.805 -14.228 -8.423 1.00 73.54 H new ATOM 0 HD2 PHE A 53 2.469 -14.985 -4.245 1.00 12.40 H new ATOM 0 HE1 PHE A 53 4.053 -16.326 -8.704 1.00 55.01 H new ATOM 0 HE2 PHE A 53 3.714 -17.083 -4.523 1.00 64.40 H new ATOM 0 HZ PHE A 53 4.504 -17.761 -6.755 1.00 62.33 H new ATOM 816 N LYS A 54 -0.294 -14.560 -4.630 1.00 4.54 N ATOM 817 CA LYS A 54 -0.886 -15.680 -3.905 1.00 35.22 C ATOM 818 C LYS A 54 -2.363 -15.425 -3.622 1.00 31.14 C ATOM 819 O LYS A 54 -3.222 -16.225 -3.992 1.00 74.23 O ATOM 820 CB LYS A 54 -0.138 -15.915 -2.592 1.00 74.34 C ATOM 821 CG LYS A 54 -0.682 -17.079 -1.781 1.00 22.44 C ATOM 822 CD LYS A 54 0.243 -17.439 -0.631 1.00 34.34 C ATOM 823 CE LYS A 54 1.257 -18.497 -1.041 1.00 30.53 C ATOM 824 NZ LYS A 54 0.608 -19.808 -1.317 1.00 24.31 N ATOM 0 H LYS A 54 0.134 -13.851 -4.034 1.00 4.54 H new ATOM 0 HA LYS A 54 -0.802 -16.570 -4.529 1.00 35.22 H new ATOM 0 HB2 LYS A 54 0.914 -16.096 -2.811 1.00 74.34 H new ATOM 0 HB3 LYS A 54 -0.187 -15.009 -1.989 1.00 74.34 H new ATOM 0 HG2 LYS A 54 -1.667 -16.822 -1.390 1.00 22.44 H new ATOM 0 HG3 LYS A 54 -0.812 -17.946 -2.429 1.00 22.44 H new ATOM 0 HD2 LYS A 54 0.766 -16.545 -0.290 1.00 34.34 H new ATOM 0 HD3 LYS A 54 -0.346 -17.805 0.210 1.00 34.34 H new ATOM 0 HE2 LYS A 54 1.792 -18.162 -1.930 1.00 30.53 H new ATOM 0 HE3 LYS A 54 1.997 -18.617 -0.250 1.00 30.53 H new ATOM 0 HZ1 LYS A 54 0.904 -20.500 -0.599 1.00 24.31 H new ATOM 0 HZ2 LYS A 54 -0.426 -19.697 -1.286 1.00 24.31 H new ATOM 0 HZ3 LYS A 54 0.892 -20.144 -2.259 1.00 24.31 H new ATOM 834 N ASN A 55 -2.651 -14.305 -2.967 1.00 62.30 N ATOM 835 CA ASN A 55 -4.025 -13.946 -2.636 1.00 34.10 C ATOM 836 C ASN A 55 -4.061 -12.883 -1.542 1.00 71.34 C ATOM 837 O ASN A 55 -4.804 -13.004 -0.568 1.00 30.12 O ATOM 838 CB ASN A 55 -4.804 -15.183 -2.186 1.00 4.21 C ATOM 839 CG ASN A 55 -5.778 -15.670 -3.242 1.00 51.13 C ATOM 840 OD1 ASN A 55 -6.342 -14.876 -3.993 1.00 23.44 O ATOM 841 ND2 ASN A 55 -5.977 -16.981 -3.303 1.00 3.50 N ATOM 0 H ASN A 55 -1.952 -13.631 -2.655 1.00 62.30 H new ATOM 0 HA ASN A 55 -4.493 -13.537 -3.532 1.00 34.10 H new ATOM 0 HB2 ASN A 55 -4.103 -15.983 -1.946 1.00 4.21 H new ATOM 0 HB3 ASN A 55 -5.350 -14.952 -1.271 1.00 4.21 H new ATOM 0 HD21 ASN A 55 -6.620 -17.368 -3.994 1.00 3.50 H new ATOM 0 HD22 ASN A 55 -5.487 -17.602 -2.659 1.00 3.50 H new ATOM 847 N VAL A 56 -3.252 -11.841 -1.709 1.00 64.13 N ATOM 848 CA VAL A 56 -3.191 -10.757 -0.738 1.00 33.24 C ATOM 849 C VAL A 56 -4.498 -9.971 -0.710 1.00 53.11 C ATOM 850 O VAL A 56 -5.100 -9.710 -1.751 1.00 3.11 O ATOM 851 CB VAL A 56 -2.032 -9.791 -1.046 1.00 33.52 C ATOM 852 CG1 VAL A 56 -1.758 -8.886 0.146 1.00 51.25 C ATOM 853 CG2 VAL A 56 -0.782 -10.567 -1.434 1.00 63.51 C ATOM 0 H VAL A 56 -2.630 -11.726 -2.509 1.00 64.13 H new ATOM 0 HA VAL A 56 -3.023 -11.215 0.237 1.00 33.24 H new ATOM 0 HB VAL A 56 -2.320 -9.163 -1.889 1.00 33.52 H new ATOM 0 HG11 VAL A 56 -0.936 -8.211 -0.091 1.00 51.25 H new ATOM 0 HG12 VAL A 56 -2.651 -8.304 0.374 1.00 51.25 H new ATOM 0 HG13 VAL A 56 -1.490 -9.494 1.010 1.00 51.25 H new ATOM 0 HG21 VAL A 56 0.027 -9.869 -1.648 1.00 63.51 H new ATOM 0 HG22 VAL A 56 -0.490 -11.220 -0.612 1.00 63.51 H new ATOM 0 HG23 VAL A 56 -0.987 -11.168 -2.320 1.00 63.51 H new ATOM 863 N ILE A 57 -4.930 -9.596 0.490 1.00 32.52 N ATOM 864 CA ILE A 57 -6.165 -8.838 0.654 1.00 33.41 C ATOM 865 C ILE A 57 -5.935 -7.587 1.496 1.00 71.54 C ATOM 866 O ILE A 57 -5.716 -7.672 2.704 1.00 20.10 O ATOM 867 CB ILE A 57 -7.265 -9.691 1.311 1.00 54.40 C ATOM 868 CG1 ILE A 57 -7.542 -10.939 0.473 1.00 5.53 C ATOM 869 CG2 ILE A 57 -8.535 -8.871 1.489 1.00 45.41 C ATOM 870 CD1 ILE A 57 -8.274 -12.027 1.231 1.00 33.22 C ATOM 0 H ILE A 57 -4.444 -9.804 1.362 1.00 32.52 H new ATOM 0 HA ILE A 57 -6.491 -8.546 -0.344 1.00 33.41 H new ATOM 0 HB ILE A 57 -6.920 -10.008 2.295 1.00 54.40 H new ATOM 0 HG12 ILE A 57 -8.130 -10.657 -0.400 1.00 5.53 H new ATOM 0 HG13 ILE A 57 -6.596 -11.337 0.105 1.00 5.53 H new ATOM 0 HG21 ILE A 57 -9.304 -9.487 1.955 1.00 45.41 H new ATOM 0 HG22 ILE A 57 -8.326 -8.010 2.124 1.00 45.41 H new ATOM 0 HG23 ILE A 57 -8.886 -8.527 0.516 1.00 45.41 H new ATOM 0 HD11 ILE A 57 -8.436 -12.882 0.574 1.00 33.22 H new ATOM 0 HD12 ILE A 57 -7.678 -12.337 2.089 1.00 33.22 H new ATOM 0 HD13 ILE A 57 -9.235 -11.646 1.576 1.00 33.22 H new ATOM 881 N ILE A 58 -5.986 -6.428 0.848 1.00 15.30 N ATOM 882 CA ILE A 58 -5.787 -5.159 1.538 1.00 44.02 C ATOM 883 C ILE A 58 -6.991 -4.241 1.359 1.00 15.21 C ATOM 884 O ILE A 58 -7.530 -4.112 0.259 1.00 45.51 O ATOM 885 CB ILE A 58 -4.524 -4.436 1.033 1.00 22.01 C ATOM 886 CG1 ILE A 58 -4.686 -2.921 1.174 1.00 41.00 C ATOM 887 CG2 ILE A 58 -4.243 -4.812 -0.414 1.00 30.43 C ATOM 888 CD1 ILE A 58 -3.406 -2.152 0.937 1.00 73.41 C ATOM 0 H ILE A 58 -6.163 -6.341 -0.153 1.00 15.30 H new ATOM 0 HA ILE A 58 -5.665 -5.391 2.596 1.00 44.02 H new ATOM 0 HB ILE A 58 -3.675 -4.749 1.641 1.00 22.01 H new ATOM 0 HG12 ILE A 58 -5.443 -2.577 0.469 1.00 41.00 H new ATOM 0 HG13 ILE A 58 -5.056 -2.695 2.174 1.00 41.00 H new ATOM 0 HG21 ILE A 58 -3.348 -4.294 -0.757 1.00 30.43 H new ATOM 0 HG22 ILE A 58 -4.089 -5.889 -0.487 1.00 30.43 H new ATOM 0 HG23 ILE A 58 -5.090 -4.524 -1.036 1.00 30.43 H new ATOM 0 HD11 ILE A 58 -3.596 -1.085 1.053 1.00 73.41 H new ATOM 0 HD12 ILE A 58 -2.653 -2.468 1.659 1.00 73.41 H new ATOM 0 HD13 ILE A 58 -3.045 -2.348 -0.073 1.00 73.41 H new ATOM 899 N LEU A 59 -7.407 -3.602 2.447 1.00 52.44 N ATOM 900 CA LEU A 59 -8.546 -2.692 2.411 1.00 0.13 C ATOM 901 C LEU A 59 -8.143 -1.295 2.871 1.00 3.52 C ATOM 902 O LEU A 59 -7.102 -1.114 3.503 1.00 23.51 O ATOM 903 CB LEU A 59 -9.677 -3.225 3.293 1.00 1.44 C ATOM 904 CG LEU A 59 -10.491 -4.383 2.714 1.00 24.35 C ATOM 905 CD1 LEU A 59 -11.515 -4.875 3.724 1.00 15.42 C ATOM 906 CD2 LEU A 59 -11.175 -3.961 1.421 1.00 50.44 C ATOM 0 H LEU A 59 -6.972 -3.697 3.365 1.00 52.44 H new ATOM 0 HA LEU A 59 -8.895 -2.628 1.381 1.00 0.13 H new ATOM 0 HB2 LEU A 59 -9.249 -3.547 4.243 1.00 1.44 H new ATOM 0 HB3 LEU A 59 -10.358 -2.403 3.513 1.00 1.44 H new ATOM 0 HG LEU A 59 -9.809 -5.203 2.490 1.00 24.35 H new ATOM 0 HD11 LEU A 59 -12.084 -5.699 3.293 1.00 15.42 H new ATOM 0 HD12 LEU A 59 -11.003 -5.218 4.623 1.00 15.42 H new ATOM 0 HD13 LEU A 59 -12.193 -4.061 3.981 1.00 15.42 H new ATOM 0 HD21 LEU A 59 -11.750 -4.798 1.023 1.00 50.44 H new ATOM 0 HD22 LEU A 59 -11.844 -3.123 1.620 1.00 50.44 H new ATOM 0 HD23 LEU A 59 -10.422 -3.659 0.693 1.00 50.44 H new ATOM 917 N VAL A 60 -8.977 -0.309 2.554 1.00 70.22 N ATOM 918 CA VAL A 60 -8.708 1.072 2.937 1.00 3.33 C ATOM 919 C VAL A 60 -9.928 1.705 3.598 1.00 3.21 C ATOM 920 O VAL A 60 -11.032 1.666 3.054 1.00 71.15 O ATOM 921 CB VAL A 60 -8.298 1.922 1.720 1.00 54.35 C ATOM 922 CG1 VAL A 60 -9.295 1.748 0.585 1.00 52.10 C ATOM 923 CG2 VAL A 60 -8.174 3.387 2.113 1.00 1.41 C ATOM 0 H VAL A 60 -9.844 -0.441 2.033 1.00 70.22 H new ATOM 0 HA VAL A 60 -7.883 1.049 3.649 1.00 3.33 H new ATOM 0 HB VAL A 60 -7.324 1.579 1.370 1.00 54.35 H new ATOM 0 HG11 VAL A 60 -8.988 2.357 -0.266 1.00 52.10 H new ATOM 0 HG12 VAL A 60 -9.329 0.700 0.288 1.00 52.10 H new ATOM 0 HG13 VAL A 60 -10.284 2.063 0.918 1.00 52.10 H new ATOM 0 HG21 VAL A 60 -7.884 3.974 1.242 1.00 1.41 H new ATOM 0 HG22 VAL A 60 -9.132 3.745 2.489 1.00 1.41 H new ATOM 0 HG23 VAL A 60 -7.417 3.492 2.890 1.00 1.41 H new ATOM 933 N ASN A 61 -9.721 2.289 4.774 1.00 64.40 N ATOM 934 CA ASN A 61 -10.804 2.931 5.510 1.00 3.13 C ATOM 935 C ASN A 61 -11.979 1.975 5.693 1.00 73.03 C ATOM 936 O ASN A 61 -13.136 2.391 5.699 1.00 11.31 O ATOM 937 CB ASN A 61 -11.268 4.192 4.778 1.00 42.31 C ATOM 938 CG ASN A 61 -12.234 5.018 5.605 1.00 1.02 C ATOM 939 OD1 ASN A 61 -11.872 5.274 6.857 1.00 3.25 O flip ATOM 940 ND2 ASN A 61 -13.293 5.421 5.124 1.00 40.00 N flip ATOM 0 H ASN A 61 -8.813 2.331 5.238 1.00 64.40 H new ATOM 0 HA ASN A 61 -10.427 3.208 6.494 1.00 3.13 H new ATOM 0 HB2 ASN A 61 -10.400 4.800 4.522 1.00 42.31 H new ATOM 0 HB3 ASN A 61 -11.746 3.909 3.840 1.00 42.31 H new ATOM 0 HD21 ASN A 61 -13.531 5.200 4.157 1.00 40.00 H new ATOM 0 HD22 ASN A 61 -13.933 5.976 5.693 1.00 40.00 H new ATOM 946 N GLY A 62 -11.672 0.689 5.842 1.00 72.42 N ATOM 947 CA GLY A 62 -12.712 -0.306 6.024 1.00 20.23 C ATOM 948 C GLY A 62 -13.556 -0.496 4.778 1.00 52.32 C ATOM 949 O GLY A 62 -14.784 -0.525 4.852 1.00 35.10 O ATOM 0 H GLY A 62 -10.721 0.319 5.840 1.00 72.42 H new ATOM 0 HA2 GLY A 62 -12.257 -1.257 6.299 1.00 20.23 H new ATOM 0 HA3 GLY A 62 -13.355 -0.008 6.853 1.00 20.23 H new ATOM 953 N ASN A 63 -12.897 -0.625 3.632 1.00 74.12 N ATOM 954 CA ASN A 63 -13.595 -0.811 2.366 1.00 21.41 C ATOM 955 C ASN A 63 -12.604 -0.923 1.210 1.00 62.01 C ATOM 956 O ASN A 63 -11.429 -0.591 1.353 1.00 21.50 O ATOM 957 CB ASN A 63 -14.558 0.351 2.114 1.00 1.20 C ATOM 958 CG ASN A 63 -16.009 -0.056 2.281 1.00 12.42 C ATOM 959 OD1 ASN A 63 -16.710 0.449 3.160 1.00 23.30 O ATOM 960 ND2 ASN A 63 -16.468 -0.973 1.438 1.00 51.04 N ATOM 0 H ASN A 63 -11.880 -0.604 3.554 1.00 74.12 H new ATOM 0 HA ASN A 63 -14.164 -1.739 2.427 1.00 21.41 H new ATOM 0 HB2 ASN A 63 -14.330 1.165 2.803 1.00 1.20 H new ATOM 0 HB3 ASN A 63 -14.405 0.735 1.105 1.00 1.20 H new ATOM 0 HD21 ASN A 63 -17.437 -1.286 1.503 1.00 51.04 H new ATOM 0 HD22 ASN A 63 -15.852 -1.364 0.725 1.00 51.04 H new ATOM 966 N ASN A 64 -13.089 -1.394 0.066 1.00 5.11 N ATOM 967 CA ASN A 64 -12.247 -1.551 -1.115 1.00 10.30 C ATOM 968 C ASN A 64 -12.311 -0.307 -1.996 1.00 21.40 C ATOM 969 O ASN A 64 -13.353 0.340 -2.101 1.00 12.32 O ATOM 970 CB ASN A 64 -12.680 -2.780 -1.916 1.00 53.34 C ATOM 971 CG ASN A 64 -14.184 -2.850 -2.100 1.00 60.33 C ATOM 972 OD1 ASN A 64 -14.856 -1.824 -2.206 1.00 62.14 O ATOM 973 ND2 ASN A 64 -14.718 -4.065 -2.140 1.00 3.21 N ATOM 0 H ASN A 64 -14.061 -1.674 -0.069 1.00 5.11 H new ATOM 0 HA ASN A 64 -11.218 -1.687 -0.782 1.00 10.30 H new ATOM 0 HB2 ASN A 64 -12.198 -2.762 -2.893 1.00 53.34 H new ATOM 0 HB3 ASN A 64 -12.337 -3.681 -1.408 1.00 53.34 H new ATOM 0 HD21 ASN A 64 -15.724 -4.176 -2.263 1.00 3.21 H new ATOM 0 HD22 ASN A 64 -14.122 -4.887 -2.048 1.00 3.21 H new ATOM 979 N ILE A 65 -11.189 0.020 -2.629 1.00 70.12 N ATOM 980 CA ILE A 65 -11.117 1.185 -3.503 1.00 11.11 C ATOM 981 C ILE A 65 -11.873 0.942 -4.805 1.00 42.33 C ATOM 982 O ILE A 65 -12.399 1.875 -5.414 1.00 43.01 O ATOM 983 CB ILE A 65 -9.658 1.554 -3.830 1.00 44.14 C ATOM 984 CG1 ILE A 65 -8.929 0.353 -4.437 1.00 50.21 C ATOM 985 CG2 ILE A 65 -8.941 2.039 -2.579 1.00 1.24 C ATOM 986 CD1 ILE A 65 -7.528 0.673 -4.910 1.00 41.03 C ATOM 0 H ILE A 65 -10.318 -0.505 -2.553 1.00 70.12 H new ATOM 0 HA ILE A 65 -11.580 2.013 -2.966 1.00 11.11 H new ATOM 0 HB ILE A 65 -9.658 2.362 -4.561 1.00 44.14 H new ATOM 0 HG12 ILE A 65 -8.880 -0.445 -3.696 1.00 50.21 H new ATOM 0 HG13 ILE A 65 -9.510 -0.028 -5.277 1.00 50.21 H new ATOM 0 HG21 ILE A 65 -7.911 2.296 -2.826 1.00 1.24 H new ATOM 0 HG22 ILE A 65 -9.450 2.919 -2.186 1.00 1.24 H new ATOM 0 HG23 ILE A 65 -8.947 1.250 -1.827 1.00 1.24 H new ATOM 0 HD11 ILE A 65 -7.071 -0.224 -5.328 1.00 41.03 H new ATOM 0 HD12 ILE A 65 -7.570 1.449 -5.674 1.00 41.03 H new ATOM 0 HD13 ILE A 65 -6.931 1.025 -4.068 1.00 41.03 H new ATOM 997 N THR A 66 -11.923 -0.317 -5.227 1.00 3.34 N ATOM 998 CA THR A 66 -12.616 -0.683 -6.456 1.00 23.10 C ATOM 999 C THR A 66 -14.088 -0.295 -6.396 1.00 32.01 C ATOM 1000 O THR A 66 -14.720 -0.055 -7.425 1.00 24.12 O ATOM 1001 CB THR A 66 -12.507 -2.195 -6.733 1.00 62.21 C ATOM 1002 OG1 THR A 66 -13.076 -2.935 -5.648 1.00 52.11 O ATOM 1003 CG2 THR A 66 -11.054 -2.606 -6.927 1.00 2.24 C ATOM 0 H THR A 66 -11.492 -1.100 -4.736 1.00 3.34 H new ATOM 0 HA THR A 66 -12.132 -0.136 -7.265 1.00 23.10 H new ATOM 0 HB THR A 66 -13.056 -2.414 -7.649 1.00 62.21 H new ATOM 0 HG1 THR A 66 -13.004 -3.895 -5.833 1.00 52.11 H new ATOM 0 HG21 THR A 66 -11.002 -3.677 -7.121 1.00 2.24 H new ATOM 0 HG22 THR A 66 -10.632 -2.063 -7.773 1.00 2.24 H new ATOM 0 HG23 THR A 66 -10.486 -2.372 -6.026 1.00 2.24 H new ATOM 1011 N SER A 67 -14.630 -0.233 -5.184 1.00 54.03 N ATOM 1012 CA SER A 67 -16.030 0.124 -4.990 1.00 51.45 C ATOM 1013 C SER A 67 -16.378 1.396 -5.758 1.00 44.52 C ATOM 1014 O SER A 67 -17.402 1.463 -6.436 1.00 74.20 O ATOM 1015 CB SER A 67 -16.327 0.317 -3.501 1.00 4.22 C ATOM 1016 OG SER A 67 -17.374 1.252 -3.306 1.00 30.51 O ATOM 0 H SER A 67 -14.121 -0.425 -4.322 1.00 54.03 H new ATOM 0 HA SER A 67 -16.644 -0.691 -5.374 1.00 51.45 H new ATOM 0 HB2 SER A 67 -16.601 -0.639 -3.055 1.00 4.22 H new ATOM 0 HB3 SER A 67 -15.428 0.661 -2.989 1.00 4.22 H new ATOM 0 HG SER A 67 -17.545 1.356 -2.347 1.00 30.51 H new ATOM 1021 N MET A 68 -15.517 2.402 -5.645 1.00 52.14 N ATOM 1022 CA MET A 68 -15.731 3.672 -6.329 1.00 3.44 C ATOM 1023 C MET A 68 -14.587 3.971 -7.293 1.00 43.42 C ATOM 1024 O MET A 68 -14.726 3.813 -8.506 1.00 63.23 O ATOM 1025 CB MET A 68 -15.868 4.807 -5.313 1.00 53.25 C ATOM 1026 CG MET A 68 -15.280 4.477 -3.950 1.00 70.40 C ATOM 1027 SD MET A 68 -15.434 5.838 -2.779 1.00 1.03 S ATOM 1028 CE MET A 68 -15.636 4.941 -1.242 1.00 62.43 C ATOM 0 H MET A 68 -14.665 2.362 -5.086 1.00 52.14 H new ATOM 0 HA MET A 68 -16.655 3.595 -6.903 1.00 3.44 H new ATOM 0 HB2 MET A 68 -15.376 5.697 -5.706 1.00 53.25 H new ATOM 0 HB3 MET A 68 -16.923 5.052 -5.195 1.00 53.25 H new ATOM 0 HG2 MET A 68 -15.781 3.597 -3.546 1.00 70.40 H new ATOM 0 HG3 MET A 68 -14.227 4.220 -4.066 1.00 70.40 H new ATOM 0 HE1 MET A 68 -15.744 5.648 -0.420 1.00 62.43 H new ATOM 0 HE2 MET A 68 -16.526 4.314 -1.301 1.00 62.43 H new ATOM 0 HE3 MET A 68 -14.761 4.314 -1.069 1.00 62.43 H new ATOM 1036 N LYS A 69 -13.456 4.403 -6.745 1.00 24.23 N ATOM 1037 CA LYS A 69 -12.288 4.723 -7.556 1.00 53.24 C ATOM 1038 C LYS A 69 -11.089 3.875 -7.141 1.00 4.31 C ATOM 1039 O LYS A 69 -10.750 3.796 -5.961 1.00 1.43 O ATOM 1040 CB LYS A 69 -11.943 6.209 -7.425 1.00 42.24 C ATOM 1041 CG LYS A 69 -12.800 7.111 -8.295 1.00 23.01 C ATOM 1042 CD LYS A 69 -12.371 7.054 -9.751 1.00 62.43 C ATOM 1043 CE LYS A 69 -13.296 6.167 -10.572 1.00 13.30 C ATOM 1044 NZ LYS A 69 -13.418 6.645 -11.976 1.00 24.45 N ATOM 0 H LYS A 69 -13.324 4.539 -5.743 1.00 24.23 H new ATOM 0 HA LYS A 69 -12.527 4.501 -8.596 1.00 53.24 H new ATOM 0 HB2 LYS A 69 -12.056 6.509 -6.383 1.00 42.24 H new ATOM 0 HB3 LYS A 69 -10.895 6.355 -7.687 1.00 42.24 H new ATOM 0 HG2 LYS A 69 -13.845 6.813 -8.211 1.00 23.01 H new ATOM 0 HG3 LYS A 69 -12.731 8.137 -7.935 1.00 23.01 H new ATOM 0 HD2 LYS A 69 -12.365 8.061 -10.169 1.00 62.43 H new ATOM 0 HD3 LYS A 69 -11.351 6.676 -9.816 1.00 62.43 H new ATOM 0 HE2 LYS A 69 -12.918 5.145 -10.568 1.00 13.30 H new ATOM 0 HE3 LYS A 69 -14.283 6.144 -10.109 1.00 13.30 H new ATOM 0 HZ1 LYS A 69 -14.056 6.015 -12.503 1.00 24.45 H new ATOM 0 HZ2 LYS A 69 -13.803 7.611 -11.982 1.00 24.45 H new ATOM 0 HZ3 LYS A 69 -12.480 6.643 -12.426 1.00 24.45 H new ATOM 1054 N GLY A 70 -10.452 3.240 -8.121 1.00 54.13 N ATOM 1055 CA GLY A 70 -9.298 2.407 -7.837 1.00 52.00 C ATOM 1056 C GLY A 70 -8.176 3.178 -7.171 1.00 71.33 C ATOM 1057 O GLY A 70 -8.195 3.393 -5.958 1.00 71.34 O ATOM 0 H GLY A 70 -10.715 3.288 -9.105 1.00 54.13 H new ATOM 0 HA2 GLY A 70 -9.600 1.581 -7.193 1.00 52.00 H new ATOM 0 HA3 GLY A 70 -8.932 1.969 -8.766 1.00 52.00 H new ATOM 1061 N LEU A 71 -7.194 3.594 -7.964 1.00 65.13 N ATOM 1062 CA LEU A 71 -6.057 4.344 -7.443 1.00 34.51 C ATOM 1063 C LEU A 71 -6.443 5.792 -7.161 1.00 71.05 C ATOM 1064 O LEU A 71 -5.726 6.512 -6.466 1.00 53.24 O ATOM 1065 CB LEU A 71 -4.893 4.299 -8.436 1.00 3.14 C ATOM 1066 CG LEU A 71 -3.496 4.462 -7.839 1.00 72.14 C ATOM 1067 CD1 LEU A 71 -2.944 3.115 -7.396 1.00 70.50 C ATOM 1068 CD2 LEU A 71 -2.560 5.119 -8.843 1.00 71.11 C ATOM 0 H LEU A 71 -7.163 3.425 -8.969 1.00 65.13 H new ATOM 0 HA LEU A 71 -5.746 3.881 -6.506 1.00 34.51 H new ATOM 0 HB2 LEU A 71 -4.931 3.348 -8.967 1.00 3.14 H new ATOM 0 HB3 LEU A 71 -5.043 5.084 -9.177 1.00 3.14 H new ATOM 0 HG LEU A 71 -3.569 5.108 -6.964 1.00 72.14 H new ATOM 0 HD11 LEU A 71 -1.948 3.251 -6.973 1.00 70.50 H new ATOM 0 HD12 LEU A 71 -3.602 2.682 -6.642 1.00 70.50 H new ATOM 0 HD13 LEU A 71 -2.886 2.446 -8.254 1.00 70.50 H new ATOM 0 HD21 LEU A 71 -1.570 5.227 -8.401 1.00 71.11 H new ATOM 0 HD22 LEU A 71 -2.492 4.499 -9.737 1.00 71.11 H new ATOM 0 HD23 LEU A 71 -2.947 6.102 -9.112 1.00 71.11 H new ATOM 1079 N ASP A 72 -7.581 6.212 -7.702 1.00 12.53 N ATOM 1080 CA ASP A 72 -8.065 7.573 -7.506 1.00 13.22 C ATOM 1081 C ASP A 72 -8.723 7.724 -6.138 1.00 11.40 C ATOM 1082 O ASP A 72 -9.188 8.806 -5.775 1.00 31.41 O ATOM 1083 CB ASP A 72 -9.057 7.949 -8.607 1.00 4.24 C ATOM 1084 CG ASP A 72 -8.444 8.857 -9.655 1.00 51.33 C ATOM 1085 OD1 ASP A 72 -7.218 8.765 -9.875 1.00 4.44 O ATOM 1086 OD2 ASP A 72 -9.189 9.660 -10.254 1.00 75.11 O ATOM 0 H ASP A 72 -8.186 5.629 -8.280 1.00 12.53 H new ATOM 0 HA ASP A 72 -7.209 8.246 -7.554 1.00 13.22 H new ATOM 0 HB2 ASP A 72 -9.424 7.042 -9.087 1.00 4.24 H new ATOM 0 HB3 ASP A 72 -9.919 8.445 -8.161 1.00 4.24 H new ATOM 1090 N THR A 73 -8.760 6.632 -5.381 1.00 40.44 N ATOM 1091 CA THR A 73 -9.363 6.642 -4.053 1.00 22.21 C ATOM 1092 C THR A 73 -8.650 7.626 -3.133 1.00 34.45 C ATOM 1093 O THR A 73 -7.424 7.727 -3.147 1.00 11.13 O ATOM 1094 CB THR A 73 -9.331 5.242 -3.412 1.00 13.41 C ATOM 1095 OG1 THR A 73 -10.604 4.605 -3.561 1.00 23.45 O ATOM 1096 CG2 THR A 73 -8.973 5.331 -1.936 1.00 1.42 C ATOM 0 H THR A 73 -8.380 5.729 -5.665 1.00 40.44 H new ATOM 0 HA THR A 73 -10.400 6.953 -4.179 1.00 22.21 H new ATOM 0 HB THR A 73 -8.569 4.652 -3.920 1.00 13.41 H new ATOM 0 HG1 THR A 73 -10.870 4.622 -4.504 1.00 23.45 H new ATOM 0 HG21 THR A 73 -8.957 4.330 -1.505 1.00 1.42 H new ATOM 0 HG22 THR A 73 -7.990 5.789 -1.827 1.00 1.42 H new ATOM 0 HG23 THR A 73 -9.716 5.937 -1.417 1.00 1.42 H new ATOM 1104 N GLU A 74 -9.428 8.351 -2.334 1.00 45.05 N ATOM 1105 CA GLU A 74 -8.870 9.328 -1.407 1.00 23.10 C ATOM 1106 C GLU A 74 -8.845 8.776 0.015 1.00 50.33 C ATOM 1107 O GLU A 74 -9.669 7.938 0.382 1.00 74.21 O ATOM 1108 CB GLU A 74 -9.681 10.625 -1.448 1.00 25.20 C ATOM 1109 CG GLU A 74 -9.778 11.239 -2.834 1.00 65.54 C ATOM 1110 CD GLU A 74 -10.009 12.737 -2.795 1.00 1.41 C ATOM 1111 OE1 GLU A 74 -10.660 13.211 -1.840 1.00 32.30 O ATOM 1112 OE2 GLU A 74 -9.540 13.434 -3.719 1.00 50.24 O ATOM 0 H GLU A 74 -10.445 8.280 -2.311 1.00 45.05 H new ATOM 0 HA GLU A 74 -7.846 9.539 -1.715 1.00 23.10 H new ATOM 0 HB2 GLU A 74 -10.686 10.427 -1.077 1.00 25.20 H new ATOM 0 HB3 GLU A 74 -9.228 11.348 -0.770 1.00 25.20 H new ATOM 0 HG2 GLU A 74 -8.860 11.031 -3.384 1.00 65.54 H new ATOM 0 HG3 GLU A 74 -10.592 10.764 -3.381 1.00 65.54 H new ATOM 1117 N ILE A 75 -7.893 9.251 0.811 1.00 51.44 N ATOM 1118 CA ILE A 75 -7.760 8.806 2.193 1.00 70.34 C ATOM 1119 C ILE A 75 -7.457 9.978 3.121 1.00 10.41 C ATOM 1120 O ILE A 75 -6.434 10.648 2.980 1.00 52.13 O ATOM 1121 CB ILE A 75 -6.650 7.749 2.340 1.00 75.34 C ATOM 1122 CG1 ILE A 75 -5.397 8.183 1.576 1.00 33.14 C ATOM 1123 CG2 ILE A 75 -7.137 6.396 1.842 1.00 14.30 C ATOM 1124 CD1 ILE A 75 -4.260 7.190 1.666 1.00 34.14 C ATOM 0 H ILE A 75 -7.202 9.944 0.523 1.00 51.44 H new ATOM 0 HA ILE A 75 -8.714 8.360 2.474 1.00 70.34 H new ATOM 0 HB ILE A 75 -6.396 7.656 3.396 1.00 75.34 H new ATOM 0 HG12 ILE A 75 -5.655 8.334 0.528 1.00 33.14 H new ATOM 0 HG13 ILE A 75 -5.060 9.145 1.963 1.00 33.14 H new ATOM 0 HG21 ILE A 75 -6.341 5.660 1.953 1.00 14.30 H new ATOM 0 HG22 ILE A 75 -8.003 6.084 2.425 1.00 14.30 H new ATOM 0 HG23 ILE A 75 -7.416 6.474 0.791 1.00 14.30 H new ATOM 0 HD11 ILE A 75 -3.406 7.563 1.101 1.00 34.14 H new ATOM 0 HD12 ILE A 75 -3.975 7.057 2.710 1.00 34.14 H new ATOM 0 HD13 ILE A 75 -4.579 6.233 1.252 1.00 34.14 H new ATOM 1135 N LYS A 76 -8.353 10.218 4.072 1.00 54.34 N ATOM 1136 CA LYS A 76 -8.182 11.307 5.028 1.00 63.22 C ATOM 1137 C LYS A 76 -7.332 10.861 6.214 1.00 0.14 C ATOM 1138 O LYS A 76 -6.979 9.687 6.331 1.00 33.13 O ATOM 1139 CB LYS A 76 -9.544 11.802 5.519 1.00 4.12 C ATOM 1140 CG LYS A 76 -10.483 12.210 4.397 1.00 73.11 C ATOM 1141 CD LYS A 76 -11.374 13.370 4.810 1.00 61.50 C ATOM 1142 CE LYS A 76 -10.680 14.707 4.604 1.00 73.43 C ATOM 1143 NZ LYS A 76 -11.279 15.779 5.447 1.00 0.24 N ATOM 0 H LYS A 76 -9.205 9.673 4.202 1.00 54.34 H new ATOM 0 HA LYS A 76 -7.668 12.124 4.522 1.00 63.22 H new ATOM 0 HB2 LYS A 76 -10.016 11.016 6.109 1.00 4.12 H new ATOM 0 HB3 LYS A 76 -9.394 12.653 6.184 1.00 4.12 H new ATOM 0 HG2 LYS A 76 -9.902 12.491 3.519 1.00 73.11 H new ATOM 0 HG3 LYS A 76 -11.101 11.359 4.111 1.00 73.11 H new ATOM 0 HD2 LYS A 76 -12.297 13.345 4.231 1.00 61.50 H new ATOM 0 HD3 LYS A 76 -11.652 13.261 5.858 1.00 61.50 H new ATOM 0 HE2 LYS A 76 -9.621 14.607 4.842 1.00 73.43 H new ATOM 0 HE3 LYS A 76 -10.745 14.992 3.554 1.00 73.43 H new ATOM 0 HZ1 LYS A 76 -10.778 16.675 5.278 1.00 0.24 H new ATOM 0 HZ2 LYS A 76 -12.283 15.892 5.202 1.00 0.24 H new ATOM 0 HZ3 LYS A 76 -11.194 15.520 6.451 1.00 0.24 H new ATOM 1153 N ASP A 77 -7.011 11.804 7.093 1.00 62.03 N ATOM 1154 CA ASP A 77 -6.206 11.508 8.272 1.00 61.12 C ATOM 1155 C ASP A 77 -6.819 10.364 9.075 1.00 35.23 C ATOM 1156 O ASP A 77 -6.115 9.638 9.777 1.00 22.24 O ATOM 1157 CB ASP A 77 -6.074 12.752 9.152 1.00 4.04 C ATOM 1158 CG ASP A 77 -7.354 13.070 9.900 1.00 61.20 C ATOM 1159 OD1 ASP A 77 -8.327 13.507 9.250 1.00 11.11 O ATOM 1160 OD2 ASP A 77 -7.383 12.883 11.134 1.00 32.11 O ATOM 0 H ASP A 77 -7.296 12.780 7.011 1.00 62.03 H new ATOM 0 HA ASP A 77 -5.214 11.203 7.937 1.00 61.12 H new ATOM 0 HB2 ASP A 77 -5.266 12.603 9.868 1.00 4.04 H new ATOM 0 HB3 ASP A 77 -5.798 13.605 8.532 1.00 4.04 H new ATOM 1164 N ASP A 78 -8.134 10.212 8.967 1.00 41.54 N ATOM 1165 CA ASP A 78 -8.842 9.156 9.683 1.00 34.24 C ATOM 1166 C ASP A 78 -8.685 7.817 8.970 1.00 2.54 C ATOM 1167 O ASP A 78 -8.562 6.773 9.611 1.00 4.24 O ATOM 1168 CB ASP A 78 -10.325 9.507 9.816 1.00 32.44 C ATOM 1169 CG ASP A 78 -10.552 10.756 10.646 1.00 23.05 C ATOM 1170 OD1 ASP A 78 -10.129 10.773 11.821 1.00 21.11 O ATOM 1171 OD2 ASP A 78 -11.153 11.716 10.120 1.00 61.10 O ATOM 0 H ASP A 78 -8.731 10.806 8.391 1.00 41.54 H new ATOM 0 HA ASP A 78 -8.406 9.070 10.678 1.00 34.24 H new ATOM 0 HB2 ASP A 78 -10.752 9.651 8.823 1.00 32.44 H new ATOM 0 HB3 ASP A 78 -10.854 8.670 10.272 1.00 32.44 H new ATOM 1175 N ASP A 79 -8.692 7.854 7.643 1.00 14.45 N ATOM 1176 CA ASP A 79 -8.552 6.643 6.843 1.00 13.22 C ATOM 1177 C ASP A 79 -7.329 5.842 7.280 1.00 14.42 C ATOM 1178 O ASP A 79 -6.344 6.404 7.760 1.00 61.01 O ATOM 1179 CB ASP A 79 -8.440 6.997 5.359 1.00 64.31 C ATOM 1180 CG ASP A 79 -9.778 7.371 4.751 1.00 62.14 C ATOM 1181 OD1 ASP A 79 -10.522 8.145 5.387 1.00 12.44 O ATOM 1182 OD2 ASP A 79 -10.080 6.889 3.639 1.00 61.11 O ATOM 0 H ASP A 79 -8.793 8.710 7.098 1.00 14.45 H new ATOM 0 HA ASP A 79 -9.440 6.030 6.997 1.00 13.22 H new ATOM 0 HB2 ASP A 79 -7.744 7.827 5.238 1.00 64.31 H new ATOM 0 HB3 ASP A 79 -8.022 6.149 4.817 1.00 64.31 H new ATOM 1186 N LYS A 80 -7.401 4.526 7.114 1.00 50.32 N ATOM 1187 CA LYS A 80 -6.302 3.646 7.492 1.00 60.34 C ATOM 1188 C LYS A 80 -6.230 2.435 6.566 1.00 15.31 C ATOM 1189 O LYS A 80 -7.256 1.852 6.212 1.00 53.43 O ATOM 1190 CB LYS A 80 -6.466 3.183 8.942 1.00 31.41 C ATOM 1191 CG LYS A 80 -7.789 2.489 9.212 1.00 31.13 C ATOM 1192 CD LYS A 80 -8.176 2.579 10.679 1.00 52.33 C ATOM 1193 CE LYS A 80 -7.240 1.760 11.554 1.00 65.10 C ATOM 1194 NZ LYS A 80 -7.684 0.342 11.664 1.00 72.45 N ATOM 0 H LYS A 80 -8.210 4.045 6.720 1.00 50.32 H new ATOM 0 HA LYS A 80 -5.373 4.208 7.399 1.00 60.34 H new ATOM 0 HB2 LYS A 80 -5.651 2.504 9.192 1.00 31.41 H new ATOM 0 HB3 LYS A 80 -6.376 4.045 9.602 1.00 31.41 H new ATOM 0 HG2 LYS A 80 -8.570 2.941 8.600 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -7.719 1.442 8.917 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -8.156 3.621 10.998 1.00 52.33 H new ATOM 0 HD3 LYS A 80 -9.199 2.226 10.809 1.00 52.33 H new ATOM 0 HE2 LYS A 80 -6.232 1.794 11.140 1.00 65.10 H new ATOM 0 HE3 LYS A 80 -7.191 2.204 12.548 1.00 65.10 H new ATOM 0 HZ1 LYS A 80 -7.021 -0.184 12.268 1.00 72.45 H new ATOM 0 HZ2 LYS A 80 -8.635 0.308 12.083 1.00 72.45 H new ATOM 0 HZ3 LYS A 80 -7.706 -0.089 10.718 1.00 72.45 H new ATOM 1204 N ILE A 81 -5.015 2.063 6.178 1.00 13.24 N ATOM 1205 CA ILE A 81 -4.812 0.921 5.296 1.00 61.22 C ATOM 1206 C ILE A 81 -4.295 -0.286 6.071 1.00 62.44 C ATOM 1207 O ILE A 81 -3.456 -0.153 6.962 1.00 35.31 O ATOM 1208 CB ILE A 81 -3.823 1.254 4.164 1.00 64.24 C ATOM 1209 CG1 ILE A 81 -4.278 2.504 3.410 1.00 23.51 C ATOM 1210 CG2 ILE A 81 -3.691 0.073 3.213 1.00 72.33 C ATOM 1211 CD1 ILE A 81 -3.677 3.784 3.945 1.00 12.04 C ATOM 0 H ILE A 81 -4.157 2.536 6.461 1.00 13.24 H new ATOM 0 HA ILE A 81 -5.782 0.681 4.860 1.00 61.22 H new ATOM 0 HB ILE A 81 -2.845 1.454 4.602 1.00 64.24 H new ATOM 0 HG12 ILE A 81 -4.014 2.400 2.358 1.00 23.51 H new ATOM 0 HG13 ILE A 81 -5.365 2.573 3.460 1.00 23.51 H new ATOM 0 HG21 ILE A 81 -2.989 0.323 2.418 1.00 72.33 H new ATOM 0 HG22 ILE A 81 -3.325 -0.796 3.760 1.00 72.33 H new ATOM 0 HG23 ILE A 81 -4.664 -0.155 2.779 1.00 72.33 H new ATOM 0 HD11 ILE A 81 -4.044 4.629 3.363 1.00 12.04 H new ATOM 0 HD12 ILE A 81 -3.963 3.911 4.989 1.00 12.04 H new ATOM 0 HD13 ILE A 81 -2.591 3.735 3.869 1.00 12.04 H new ATOM 1222 N ASP A 82 -4.799 -1.466 5.723 1.00 50.14 N ATOM 1223 CA ASP A 82 -4.385 -2.698 6.383 1.00 61.30 C ATOM 1224 C ASP A 82 -4.083 -3.788 5.359 1.00 72.14 C ATOM 1225 O ASP A 82 -4.822 -3.967 4.390 1.00 14.41 O ATOM 1226 CB ASP A 82 -5.472 -3.176 7.348 1.00 35.31 C ATOM 1227 CG ASP A 82 -5.074 -4.434 8.092 1.00 12.30 C ATOM 1228 OD1 ASP A 82 -5.257 -5.535 7.535 1.00 5.31 O ATOM 1229 OD2 ASP A 82 -4.580 -4.317 9.234 1.00 75.53 O ATOM 0 H ASP A 82 -5.494 -1.594 4.988 1.00 50.14 H new ATOM 0 HA ASP A 82 -3.475 -2.491 6.946 1.00 61.30 H new ATOM 0 HB2 ASP A 82 -5.689 -2.386 8.067 1.00 35.31 H new ATOM 0 HB3 ASP A 82 -6.391 -3.362 6.792 1.00 35.31 H new ATOM 1233 N LEU A 83 -2.992 -4.514 5.580 1.00 35.42 N ATOM 1234 CA LEU A 83 -2.591 -5.586 4.676 1.00 61.44 C ATOM 1235 C LEU A 83 -2.869 -6.952 5.294 1.00 0.12 C ATOM 1236 O LEU A 83 -2.349 -7.279 6.360 1.00 45.15 O ATOM 1237 CB LEU A 83 -1.105 -5.462 4.333 1.00 52.03 C ATOM 1238 CG LEU A 83 -0.613 -6.309 3.159 1.00 1.31 C ATOM 1239 CD1 LEU A 83 -0.535 -7.775 3.555 1.00 22.44 C ATOM 1240 CD2 LEU A 83 -1.523 -6.128 1.953 1.00 14.23 C ATOM 0 H LEU A 83 -2.370 -4.380 6.377 1.00 35.42 H new ATOM 0 HA LEU A 83 -3.178 -5.495 3.762 1.00 61.44 H new ATOM 0 HB2 LEU A 83 -0.889 -4.416 4.116 1.00 52.03 H new ATOM 0 HB3 LEU A 83 -0.525 -5.730 5.216 1.00 52.03 H new ATOM 0 HG LEU A 83 0.388 -5.973 2.887 1.00 1.31 H new ATOM 0 HD11 LEU A 83 -0.183 -8.363 2.707 1.00 22.44 H new ATOM 0 HD12 LEU A 83 0.157 -7.890 4.389 1.00 22.44 H new ATOM 0 HD13 LEU A 83 -1.523 -8.124 3.853 1.00 22.44 H new ATOM 0 HD21 LEU A 83 -1.158 -6.738 1.127 1.00 14.23 H new ATOM 0 HD22 LEU A 83 -2.536 -6.437 2.212 1.00 14.23 H new ATOM 0 HD23 LEU A 83 -1.528 -5.079 1.655 1.00 14.23 H new ATOM 1251 N PHE A 84 -3.691 -7.746 4.616 1.00 62.31 N ATOM 1252 CA PHE A 84 -4.038 -9.078 5.098 1.00 64.53 C ATOM 1253 C PHE A 84 -3.392 -10.155 4.230 1.00 12.34 C ATOM 1254 O PHE A 84 -3.382 -10.075 3.001 1.00 1.53 O ATOM 1255 CB PHE A 84 -5.556 -9.260 5.110 1.00 11.44 C ATOM 1256 CG PHE A 84 -6.083 -9.816 6.402 1.00 32.43 C ATOM 1257 CD1 PHE A 84 -6.097 -9.041 7.550 1.00 62.14 C ATOM 1258 CD2 PHE A 84 -6.564 -11.114 6.468 1.00 34.22 C ATOM 1259 CE1 PHE A 84 -6.581 -9.550 8.742 1.00 30.55 C ATOM 1260 CE2 PHE A 84 -7.050 -11.627 7.656 1.00 21.43 C ATOM 1261 CZ PHE A 84 -7.057 -10.844 8.793 1.00 44.50 C ATOM 0 H PHE A 84 -4.129 -7.490 3.731 1.00 62.31 H new ATOM 0 HA PHE A 84 -3.659 -9.179 6.115 1.00 64.53 H new ATOM 0 HB2 PHE A 84 -6.031 -8.298 4.917 1.00 11.44 H new ATOM 0 HB3 PHE A 84 -5.841 -9.925 4.295 1.00 11.44 H new ATOM 0 HD1 PHE A 84 -5.726 -8.027 7.514 1.00 62.14 H new ATOM 0 HD2 PHE A 84 -6.559 -11.731 5.582 1.00 34.22 H new ATOM 0 HE1 PHE A 84 -6.586 -8.936 9.630 1.00 30.55 H new ATOM 0 HE2 PHE A 84 -7.424 -12.639 7.695 1.00 21.43 H new ATOM 0 HZ PHE A 84 -7.435 -11.244 9.722 1.00 44.50 H new ATOM 1270 N PRO A 85 -2.841 -11.188 4.883 1.00 72.23 N ATOM 1271 CA PRO A 85 -2.183 -12.301 4.192 1.00 41.53 C ATOM 1272 C PRO A 85 -3.173 -13.182 3.438 1.00 13.14 C ATOM 1273 O PRO A 85 -4.375 -13.172 3.703 1.00 23.32 O ATOM 1274 CB PRO A 85 -1.528 -13.088 5.331 1.00 74.00 C ATOM 1275 CG PRO A 85 -2.345 -12.765 6.534 1.00 32.41 C ATOM 1276 CD PRO A 85 -2.816 -11.349 6.347 1.00 53.32 C ATOM 0 HA PRO A 85 -1.480 -11.952 3.436 1.00 41.53 H new ATOM 0 HB2 PRO A 85 -1.532 -14.158 5.126 1.00 74.00 H new ATOM 0 HB3 PRO A 85 -0.488 -12.794 5.468 1.00 74.00 H new ATOM 0 HG2 PRO A 85 -3.189 -13.448 6.627 1.00 32.41 H new ATOM 0 HG3 PRO A 85 -1.754 -12.863 7.445 1.00 32.41 H new ATOM 0 HD2 PRO A 85 -3.802 -11.192 6.785 1.00 53.32 H new ATOM 0 HD3 PRO A 85 -2.140 -10.635 6.818 1.00 53.32 H new ATOM 1281 N PRO A 86 -2.659 -13.962 2.476 1.00 73.40 N ATOM 1282 CA PRO A 86 -3.482 -14.864 1.664 1.00 74.02 C ATOM 1283 C PRO A 86 -4.018 -16.042 2.470 1.00 45.13 C ATOM 1284 O PRO A 86 -3.402 -16.472 3.446 1.00 31.45 O ATOM 1285 CB PRO A 86 -2.513 -15.351 0.584 1.00 35.33 C ATOM 1286 CG PRO A 86 -1.163 -15.221 1.198 1.00 51.54 C ATOM 1287 CD PRO A 86 -1.234 -14.025 2.107 1.00 11.35 C ATOM 0 HA PRO A 86 -4.367 -14.365 1.269 1.00 74.02 H new ATOM 0 HB2 PRO A 86 -2.721 -16.383 0.302 1.00 35.33 H new ATOM 0 HB3 PRO A 86 -2.595 -14.750 -0.322 1.00 35.33 H new ATOM 0 HG2 PRO A 86 -0.900 -16.120 1.756 1.00 51.54 H new ATOM 0 HG3 PRO A 86 -0.398 -15.085 0.433 1.00 51.54 H new ATOM 0 HD2 PRO A 86 -0.597 -14.147 2.983 1.00 11.35 H new ATOM 0 HD3 PRO A 86 -0.909 -13.116 1.601 1.00 11.35 H new ATOM 1292 N VAL A 87 -5.169 -16.562 2.055 1.00 41.43 N ATOM 1293 CA VAL A 87 -5.787 -17.692 2.738 1.00 71.12 C ATOM 1294 C VAL A 87 -4.807 -18.851 2.879 1.00 63.31 C ATOM 1295 O VAL A 87 -4.865 -19.612 3.844 1.00 51.33 O ATOM 1296 CB VAL A 87 -7.041 -18.182 1.989 1.00 63.54 C ATOM 1297 CG1 VAL A 87 -8.158 -17.155 2.090 1.00 24.23 C ATOM 1298 CG2 VAL A 87 -6.709 -18.481 0.535 1.00 2.15 C ATOM 0 H VAL A 87 -5.692 -16.219 1.249 1.00 41.43 H new ATOM 0 HA VAL A 87 -6.078 -17.343 3.729 1.00 71.12 H new ATOM 0 HB VAL A 87 -7.386 -19.105 2.456 1.00 63.54 H new ATOM 0 HG11 VAL A 87 -9.036 -17.518 1.555 1.00 24.23 H new ATOM 0 HG12 VAL A 87 -8.412 -16.995 3.138 1.00 24.23 H new ATOM 0 HG13 VAL A 87 -7.828 -16.214 1.649 1.00 24.23 H new ATOM 0 HG21 VAL A 87 -7.606 -18.826 0.021 1.00 2.15 H new ATOM 0 HG22 VAL A 87 -6.339 -17.576 0.053 1.00 2.15 H new ATOM 0 HG23 VAL A 87 -5.943 -19.256 0.488 1.00 2.15 H new ATOM 1308 N ALA A 88 -3.908 -18.980 1.909 1.00 65.04 N ATOM 1309 CA ALA A 88 -2.912 -20.046 1.926 1.00 1.35 C ATOM 1310 C ALA A 88 -1.703 -19.653 2.767 1.00 52.14 C ATOM 1311 O ALA A 88 -1.056 -20.504 3.376 1.00 52.31 O ATOM 1312 CB ALA A 88 -2.484 -20.390 0.508 1.00 41.02 C ATOM 0 H ALA A 88 -3.848 -18.360 1.101 1.00 65.04 H new ATOM 0 HA ALA A 88 -3.365 -20.927 2.380 1.00 1.35 H new ATOM 0 HB1 ALA A 88 -1.741 -21.187 0.535 1.00 41.02 H new ATOM 0 HB2 ALA A 88 -3.351 -20.722 -0.063 1.00 41.02 H new ATOM 0 HB3 ALA A 88 -2.053 -19.508 0.034 1.00 41.02 H new ATOM 1318 N GLY A 89 -1.402 -18.358 2.795 1.00 22.31 N ATOM 1319 CA GLY A 89 -0.269 -17.876 3.564 1.00 20.02 C ATOM 1320 C GLY A 89 0.975 -17.702 2.716 1.00 23.44 C ATOM 1321 O GLY A 89 1.384 -18.620 2.006 1.00 72.25 O ATOM 0 H GLY A 89 -1.922 -17.634 2.299 1.00 22.31 H new ATOM 0 HA2 GLY A 89 -0.526 -16.923 4.026 1.00 20.02 H new ATOM 0 HA3 GLY A 89 -0.059 -18.576 4.373 1.00 20.02 H new ATOM 1325 N GLY A 90 1.577 -16.518 2.787 1.00 64.14 N ATOM 1326 CA GLY A 90 2.775 -16.248 2.014 1.00 31.24 C ATOM 1327 C GLY A 90 4.026 -16.227 2.869 1.00 11.21 C ATOM 1328 O GLY A 90 4.438 -17.257 3.403 1.00 14.00 O ATOM 0 H GLY A 90 1.256 -15.742 3.366 1.00 64.14 H new ATOM 0 HA2 GLY A 90 2.882 -17.007 1.239 1.00 31.24 H new ATOM 0 HA3 GLY A 90 2.668 -15.288 1.508 1.00 31.24 H new TER 1332 GLY A 90