USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 914 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 25 HIS : no HD1:sc= 1.88 K(o=3.2,f=-9.1!) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0.00329 USER MOD Set 1.3: A 46 SER OG : rot -100:sc= 1.32 USER MOD Set 2.1: A 43 THR OG1 : rot -120:sc= -0.0416 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -114:sc= 0.285 (180deg=-0.573) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 1.39 (180deg=1.29) USER MOD Single : A 5 TYR OH : rot 110:sc= -0.0161 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.116 F(o=-1.9,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0724 F(o=-0.72,f=-0.072) USER MOD Single : A 21 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.025) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00752 USER MOD Single : A 55 GLN : amide:sc= 0.442 K(o=0.44,f=-0.18) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : +bothHN:sc= 1.53 K(o=1.5,f=-4.9!) USER MOD Single : A 60 THR OG1 : rot -146:sc= 0.94 USER MOD Single : A 61 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.31) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.023) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -24:sc= 0.0216 USER MOD Single : A 73 THR OG1 : rot -18:sc= 0.0535 USER MOD Single : A 74 ASN : amide:sc= 0.178 X(o=0.18,f=-0.081) USER MOD Single : A 77 HIS : no HD1:sc= -0.0352 X(o=-0.035,f=-0.025) USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= 0.0131 (180deg=-0.146) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 1.02 K(o=1,f=-0.38) USER MOD Single : A 83 THR OG1 : rot -46:sc= 1.31 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -105:sc= 0.835 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0104) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 118:sc= 1.24 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.81! X(o=-2.8!,f=-2.5) USER MOD Single : A 107 THR OG1 : rot -124:sc= 0.832 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.246 USER MOD Single : A 117 ASN : amide:sc=-0.00117 X(o=-0.0012,f=-0.45) USER MOD Single : A 119 THR OG1 : rot 49:sc= 0.255 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.931 -6.457 18.769 1.00 0.00 N ATOM 2 CA ARG A 1 17.781 -6.142 17.585 1.00 0.00 C ATOM 3 C ARG A 1 17.674 -7.287 16.563 1.00 0.00 C ATOM 4 O ARG A 1 18.559 -8.146 16.523 1.00 0.00 O ATOM 5 CB ARG A 1 19.236 -5.847 18.036 1.00 0.00 C ATOM 6 CG ARG A 1 19.352 -4.570 18.898 1.00 0.00 C ATOM 7 CD ARG A 1 20.534 -4.620 19.874 1.00 0.00 C ATOM 8 NE ARG A 1 20.528 -3.438 20.758 1.00 0.00 N ATOM 9 CZ ARG A 1 21.077 -3.319 21.952 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.779 -4.274 22.492 1.00 0.00 N ATOM 11 NH2 ARG A 1 20.927 -2.222 22.636 1.00 0.00 N ATOM 0 H1 ARG A 1 16.148 -5.775 18.826 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.546 -7.418 18.674 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.505 -6.398 19.634 1.00 0.00 H new ATOM 0 HA ARG A 1 17.429 -5.238 17.088 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.615 -6.697 18.603 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.870 -5.743 17.155 1.00 0.00 H new ATOM 0 HG2 ARG A 1 19.462 -3.704 18.245 1.00 0.00 H new ATOM 0 HG3 ARG A 1 18.428 -4.430 19.459 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.480 -5.529 20.473 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.471 -4.660 19.318 1.00 0.00 H new ATOM 0 HE ARG A 1 20.041 -2.615 20.404 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.920 -5.150 21.989 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.188 -4.145 23.417 1.00 0.00 H new ATOM 0 HH21 ARG A 1 20.383 -1.450 22.249 1.00 0.00 H new ATOM 0 HH22 ARG A 1 21.353 -2.134 23.559 1.00 0.00 H new ATOM 27 N PRO A 2 16.564 -7.383 15.790 1.00 0.00 N ATOM 28 CA PRO A 2 16.241 -8.605 15.031 1.00 0.00 C ATOM 29 C PRO A 2 17.158 -8.827 13.816 1.00 0.00 C ATOM 30 O PRO A 2 17.705 -9.915 13.634 1.00 0.00 O ATOM 31 CB PRO A 2 14.769 -8.456 14.624 1.00 0.00 C ATOM 32 CG PRO A 2 14.535 -6.945 14.595 1.00 0.00 C ATOM 33 CD PRO A 2 15.460 -6.422 15.696 1.00 0.00 C ATOM 0 HA PRO A 2 16.404 -9.492 15.644 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.578 -8.907 13.650 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.107 -8.947 15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.785 -6.518 13.624 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.493 -6.696 14.794 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.830 -5.426 15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.930 -6.343 16.645 1.00 0.00 H new ATOM 41 N CYS A 3 17.337 -7.780 13.011 1.00 0.00 N ATOM 42 CA CYS A 3 18.222 -7.686 11.846 1.00 0.00 C ATOM 43 C CYS A 3 18.952 -6.324 11.866 1.00 0.00 C ATOM 44 O CYS A 3 18.930 -5.615 12.881 1.00 0.00 O ATOM 45 CB CYS A 3 17.388 -7.922 10.570 1.00 0.00 C ATOM 46 SG CYS A 3 16.702 -9.600 10.424 1.00 0.00 S ATOM 0 H CYS A 3 16.830 -6.909 13.166 1.00 0.00 H new ATOM 0 HA CYS A 3 18.997 -8.452 11.869 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.568 -7.204 10.548 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.012 -7.720 9.700 1.00 0.00 H new ATOM 51 N LYS A 4 19.615 -5.938 10.771 1.00 0.00 N ATOM 52 CA LYS A 4 20.144 -4.587 10.551 1.00 0.00 C ATOM 53 C LYS A 4 19.468 -3.972 9.323 1.00 0.00 C ATOM 54 O LYS A 4 19.113 -4.681 8.377 1.00 0.00 O ATOM 55 CB LYS A 4 21.673 -4.657 10.388 1.00 0.00 C ATOM 56 CG LYS A 4 22.455 -5.087 11.642 1.00 0.00 C ATOM 57 CD LYS A 4 22.959 -3.910 12.498 1.00 0.00 C ATOM 58 CE LYS A 4 21.858 -3.131 13.230 1.00 0.00 C ATOM 59 NZ LYS A 4 21.183 -3.962 14.257 1.00 0.00 N ATOM 0 H LYS A 4 19.803 -6.571 9.994 1.00 0.00 H new ATOM 0 HA LYS A 4 19.928 -3.949 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.903 -5.353 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.033 -3.677 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.817 -5.723 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.308 -5.692 11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.666 -4.291 13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.507 -3.221 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.290 -2.249 13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.122 -2.777 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.555 -3.363 14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.623 -4.703 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.897 -4.403 14.871 1.00 0.00 H new ATOM 73 N TYR A 5 19.281 -2.654 9.361 1.00 0.00 N ATOM 74 CA TYR A 5 18.653 -1.855 8.308 1.00 0.00 C ATOM 75 C TYR A 5 19.375 -0.504 8.156 1.00 0.00 C ATOM 76 O TYR A 5 20.058 -0.054 9.084 1.00 0.00 O ATOM 77 CB TYR A 5 17.169 -1.601 8.634 1.00 0.00 C ATOM 78 CG TYR A 5 16.293 -2.807 8.940 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.279 -3.342 10.243 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.421 -3.331 7.963 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.382 -4.373 10.588 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.502 -4.340 8.314 1.00 0.00 C ATOM 83 CZ TYR A 5 14.478 -4.864 9.622 1.00 0.00 C ATOM 84 OH TYR A 5 13.571 -5.825 9.951 1.00 0.00 O ATOM 0 H TYR A 5 19.575 -2.090 10.158 1.00 0.00 H new ATOM 0 HA TYR A 5 18.726 -2.412 7.374 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.125 -0.929 9.491 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.727 -1.071 7.790 1.00 0.00 H new ATOM 0 HD1 TYR A 5 16.963 -2.958 10.986 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.458 -2.960 6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.386 -4.785 11.586 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.810 -4.715 7.574 1.00 0.00 H new ATOM 0 HH TYR A 5 12.671 -5.437 9.957 1.00 0.00 H new ATOM 94 N LYS A 6 19.188 0.172 7.016 1.00 0.00 N ATOM 95 CA LYS A 6 19.752 1.503 6.718 1.00 0.00 C ATOM 96 C LYS A 6 18.723 2.640 6.785 1.00 0.00 C ATOM 97 O LYS A 6 17.515 2.427 6.662 1.00 0.00 O ATOM 98 CB LYS A 6 20.500 1.455 5.377 1.00 0.00 C ATOM 99 CG LYS A 6 19.587 1.319 4.142 1.00 0.00 C ATOM 100 CD LYS A 6 20.091 0.249 3.158 1.00 0.00 C ATOM 101 CE LYS A 6 19.722 0.623 1.714 1.00 0.00 C ATOM 102 NZ LYS A 6 20.323 -0.320 0.733 1.00 0.00 N ATOM 0 H LYS A 6 18.625 -0.199 6.251 1.00 0.00 H new ATOM 0 HA LYS A 6 20.464 1.745 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.096 2.362 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.196 0.616 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.578 1.065 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.526 2.280 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.172 0.146 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.657 -0.718 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.638 0.622 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.063 1.636 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.053 -0.037 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.359 -0.300 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.978 -1.283 0.921 1.00 0.00 H new ATOM 116 N LEU A 7 19.234 3.856 6.979 1.00 0.00 N ATOM 117 CA LEU A 7 18.486 5.088 7.251 1.00 0.00 C ATOM 118 C LEU A 7 17.957 5.729 5.946 1.00 0.00 C ATOM 119 O LEU A 7 18.748 6.221 5.137 1.00 0.00 O ATOM 120 CB LEU A 7 19.427 6.032 8.046 1.00 0.00 C ATOM 121 CG LEU A 7 18.786 6.881 9.158 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.597 7.701 8.666 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.340 6.027 10.346 1.00 0.00 C ATOM 0 H LEU A 7 20.240 4.019 6.949 1.00 0.00 H new ATOM 0 HA LEU A 7 17.596 4.878 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.215 5.427 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.907 6.707 7.338 1.00 0.00 H new ATOM 0 HG LEU A 7 19.570 7.567 9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.186 8.279 9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.924 8.379 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.830 7.032 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.893 6.667 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.606 5.294 10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.203 5.511 10.767 1.00 0.00 H new ATOM 135 N LYS A 8 16.633 5.719 5.723 1.00 0.00 N ATOM 136 CA LYS A 8 15.968 6.283 4.529 1.00 0.00 C ATOM 137 C LYS A 8 14.725 7.115 4.893 1.00 0.00 C ATOM 138 O LYS A 8 13.639 6.579 5.118 1.00 0.00 O ATOM 139 CB LYS A 8 15.670 5.143 3.532 1.00 0.00 C ATOM 140 CG LYS A 8 15.006 5.596 2.218 1.00 0.00 C ATOM 141 CD LYS A 8 15.882 6.523 1.364 1.00 0.00 C ATOM 142 CE LYS A 8 15.130 6.894 0.079 1.00 0.00 C ATOM 143 NZ LYS A 8 15.936 7.790 -0.791 1.00 0.00 N ATOM 0 H LYS A 8 15.974 5.308 6.384 1.00 0.00 H new ATOM 0 HA LYS A 8 16.640 6.990 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.603 4.633 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.022 4.413 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.747 4.715 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.073 6.108 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.132 7.424 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.822 6.029 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.876 5.987 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.191 7.384 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.395 8.019 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.157 8.667 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.821 7.312 -1.056 1.00 0.00 H new ATOM 157 N LYS A 9 14.882 8.442 4.949 1.00 0.00 N ATOM 158 CA LYS A 9 13.826 9.415 5.299 1.00 0.00 C ATOM 159 C LYS A 9 13.521 10.347 4.123 1.00 0.00 C ATOM 160 O LYS A 9 14.439 10.828 3.452 1.00 0.00 O ATOM 161 CB LYS A 9 14.236 10.213 6.553 1.00 0.00 C ATOM 162 CG LYS A 9 14.521 9.346 7.793 1.00 0.00 C ATOM 163 CD LYS A 9 13.275 8.646 8.360 1.00 0.00 C ATOM 164 CE LYS A 9 13.608 7.641 9.472 1.00 0.00 C ATOM 165 NZ LYS A 9 14.160 8.287 10.694 1.00 0.00 N ATOM 0 H LYS A 9 15.776 8.890 4.746 1.00 0.00 H new ATOM 0 HA LYS A 9 12.911 8.867 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.126 10.798 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.443 10.921 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.264 8.592 7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.960 9.972 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.588 9.397 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.756 8.129 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.707 7.088 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.328 6.915 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.365 7.560 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.036 8.793 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.465 8.960 11.075 1.00 0.00 H new ATOM 179 N SER A 10 12.235 10.599 3.892 1.00 0.00 N ATOM 180 CA SER A 10 11.691 11.381 2.768 1.00 0.00 C ATOM 181 C SER A 10 10.437 12.162 3.195 1.00 0.00 C ATOM 182 O SER A 10 9.866 11.898 4.255 1.00 0.00 O ATOM 183 CB SER A 10 11.350 10.425 1.612 1.00 0.00 C ATOM 184 OG SER A 10 12.514 9.796 1.094 1.00 0.00 O ATOM 0 H SER A 10 11.502 10.249 4.510 1.00 0.00 H new ATOM 0 HA SER A 10 12.440 12.104 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.650 9.666 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.850 10.978 0.817 1.00 0.00 H new ATOM 0 HG SER A 10 12.263 9.194 0.362 1.00 0.00 H new ATOM 190 N THR A 11 9.974 13.112 2.374 1.00 0.00 N ATOM 191 CA THR A 11 8.752 13.892 2.655 1.00 0.00 C ATOM 192 C THR A 11 7.933 14.114 1.385 1.00 0.00 C ATOM 193 O THR A 11 8.323 14.906 0.526 1.00 0.00 O ATOM 194 CB THR A 11 9.040 15.241 3.338 1.00 0.00 C ATOM 195 OG1 THR A 11 9.964 15.126 4.401 1.00 0.00 O ATOM 196 CG2 THR A 11 7.743 15.766 3.949 1.00 0.00 C ATOM 0 H THR A 11 10.431 13.365 1.498 1.00 0.00 H new ATOM 0 HA THR A 11 8.171 13.293 3.357 1.00 0.00 H new ATOM 0 HB THR A 11 9.452 15.902 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.115 16.008 4.800 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.932 16.722 4.437 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.999 15.900 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.371 15.051 4.683 1.00 0.00 H new ATOM 204 N ASN A 12 6.825 13.380 1.233 1.00 0.00 N ATOM 205 CA ASN A 12 6.023 13.309 0.000 1.00 0.00 C ATOM 206 C ASN A 12 4.694 12.541 0.180 1.00 0.00 C ATOM 207 O ASN A 12 4.456 11.916 1.210 1.00 0.00 O ATOM 208 CB ASN A 12 6.879 12.692 -1.132 1.00 0.00 C ATOM 209 CG ASN A 12 7.686 11.470 -0.730 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.074 10.475 -0.138 1.00 0.00 O flip ATOM 211 ND2 ASN A 12 8.885 11.392 -0.937 1.00 0.00 N flip ATOM 0 H ASN A 12 6.448 12.802 1.984 1.00 0.00 H new ATOM 0 HA ASN A 12 5.737 14.327 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.221 12.420 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.563 13.454 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.374 12.160 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.399 10.559 -0.650 1.00 0.00 H new ATOM 218 N LYS A 13 3.848 12.588 -0.852 1.00 0.00 N ATOM 219 CA LYS A 13 2.622 11.795 -1.081 1.00 0.00 C ATOM 220 C LYS A 13 2.880 10.285 -1.216 1.00 0.00 C ATOM 221 O LYS A 13 4.024 9.835 -1.318 1.00 0.00 O ATOM 222 CB LYS A 13 1.887 12.344 -2.326 1.00 0.00 C ATOM 223 CG LYS A 13 2.759 12.754 -3.521 1.00 0.00 C ATOM 224 CD LYS A 13 3.048 14.266 -3.508 1.00 0.00 C ATOM 225 CE LYS A 13 4.054 14.639 -4.605 1.00 0.00 C ATOM 226 NZ LYS A 13 4.480 16.061 -4.512 1.00 0.00 N ATOM 0 H LYS A 13 4.012 13.238 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 13 1.996 11.903 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.181 11.586 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.301 13.211 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.698 12.202 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.256 12.485 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.120 14.819 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.441 14.557 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.929 13.993 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.608 14.458 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.993 16.327 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.642 16.668 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.103 16.184 -3.689 1.00 0.00 H new ATOM 240 N PHE A 14 1.799 9.510 -1.273 1.00 0.00 N ATOM 241 CA PHE A 14 1.777 8.046 -1.384 1.00 0.00 C ATOM 242 C PHE A 14 0.619 7.562 -2.272 1.00 0.00 C ATOM 243 O PHE A 14 -0.459 8.162 -2.300 1.00 0.00 O ATOM 244 CB PHE A 14 1.696 7.420 0.024 1.00 0.00 C ATOM 245 CG PHE A 14 0.675 8.061 0.954 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.694 7.738 0.861 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.095 9.022 1.894 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.638 8.410 1.663 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.153 9.681 2.701 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.217 9.405 2.563 1.00 0.00 C ATOM 0 H PHE A 14 0.859 9.906 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 14 2.701 7.723 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.458 6.361 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.679 7.482 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.021 6.973 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.145 9.253 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.686 8.161 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.484 10.404 3.432 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.943 9.954 3.145 1.00 0.00 H new ATOM 260 N CYS A 15 0.838 6.479 -3.022 1.00 0.00 N ATOM 261 CA CYS A 15 -0.174 5.859 -3.883 1.00 0.00 C ATOM 262 C CYS A 15 -0.704 4.556 -3.270 1.00 0.00 C ATOM 263 O CYS A 15 0.050 3.741 -2.731 1.00 0.00 O ATOM 264 CB CYS A 15 0.383 5.618 -5.292 1.00 0.00 C ATOM 265 SG CYS A 15 -0.894 5.113 -6.484 1.00 0.00 S ATOM 0 H CYS A 15 1.738 6.000 -3.049 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.013 6.550 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.864 6.529 -5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.153 4.848 -5.245 1.00 0.00 H new ATOM 270 N VAL A 16 -2.015 4.357 -3.386 1.00 0.00 N ATOM 271 CA VAL A 16 -2.791 3.253 -2.778 1.00 0.00 C ATOM 272 C VAL A 16 -3.969 2.832 -3.680 1.00 0.00 C ATOM 273 O VAL A 16 -4.167 3.419 -4.744 1.00 0.00 O ATOM 274 CB VAL A 16 -3.292 3.645 -1.366 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.173 3.748 -0.328 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.055 4.969 -1.359 1.00 0.00 C ATOM 0 H VAL A 16 -2.604 4.987 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.126 2.395 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.959 2.828 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.596 4.026 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.669 2.786 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.455 4.506 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.383 5.195 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.403 5.767 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.924 4.892 -2.012 1.00 0.00 H new ATOM 286 N THR A 17 -4.781 1.855 -3.255 1.00 0.00 N ATOM 287 CA THR A 17 -5.984 1.380 -3.983 1.00 0.00 C ATOM 288 C THR A 17 -7.227 1.396 -3.087 1.00 0.00 C ATOM 289 O THR A 17 -7.270 0.666 -2.095 1.00 0.00 O ATOM 290 CB THR A 17 -5.773 -0.046 -4.524 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.511 -0.169 -5.149 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.806 -0.466 -5.559 1.00 0.00 C ATOM 0 H THR A 17 -4.624 1.357 -2.379 1.00 0.00 H new ATOM 0 HA THR A 17 -6.141 2.065 -4.816 1.00 0.00 H new ATOM 0 HB THR A 17 -5.860 -0.687 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.399 -1.083 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.593 -1.481 -5.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.801 -0.431 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.765 0.213 -6.410 1.00 0.00 H new ATOM 300 N CYS A 18 -8.238 2.216 -3.411 1.00 0.00 N ATOM 301 CA CYS A 18 -9.527 2.224 -2.709 1.00 0.00 C ATOM 302 C CYS A 18 -10.483 1.174 -3.275 1.00 0.00 C ATOM 303 O CYS A 18 -10.710 1.099 -4.481 1.00 0.00 O ATOM 304 CB CYS A 18 -10.193 3.606 -2.739 1.00 0.00 C ATOM 305 SG CYS A 18 -9.831 4.641 -1.303 1.00 0.00 S ATOM 0 H CYS A 18 -8.183 2.894 -4.171 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.310 1.975 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.873 4.130 -3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.272 3.474 -2.814 1.00 0.00 H new ATOM 310 N GLU A 19 -11.084 0.396 -2.382 1.00 0.00 N ATOM 311 CA GLU A 19 -12.086 -0.618 -2.689 1.00 0.00 C ATOM 312 C GLU A 19 -13.189 -0.552 -1.625 1.00 0.00 C ATOM 313 O GLU A 19 -12.933 -0.773 -0.443 1.00 0.00 O ATOM 314 CB GLU A 19 -11.410 -1.996 -2.758 1.00 0.00 C ATOM 315 CG GLU A 19 -12.322 -3.041 -3.410 1.00 0.00 C ATOM 316 CD GLU A 19 -11.637 -4.419 -3.474 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.662 -4.575 -4.249 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.080 -5.352 -2.762 1.00 0.00 O ATOM 0 H GLU A 19 -10.878 0.457 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.547 -0.439 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.482 -1.918 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.144 -2.322 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.251 -3.120 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.588 -2.718 -4.416 1.00 0.00 H new ATOM 325 N ASN A 20 -14.408 -0.196 -2.042 1.00 0.00 N ATOM 326 CA ASN A 20 -15.540 0.124 -1.160 1.00 0.00 C ATOM 327 C ASN A 20 -15.224 1.300 -0.198 1.00 0.00 C ATOM 328 O ASN A 20 -15.388 1.209 1.019 1.00 0.00 O ATOM 329 CB ASN A 20 -16.079 -1.152 -0.472 1.00 0.00 C ATOM 330 CG ASN A 20 -16.760 -2.127 -1.419 1.00 0.00 C ATOM 331 OD1 ASN A 20 -16.027 -2.792 -2.285 1.00 0.00 O flip ATOM 332 ND2 ASN A 20 -17.969 -2.303 -1.395 1.00 0.00 N flip ATOM 0 H ASN A 20 -14.644 -0.120 -3.031 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.361 0.498 -1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.253 -1.661 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.787 -0.862 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -18.546 -1.792 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -18.402 -2.961 -2.043 1.00 0.00 H new ATOM 339 N GLN A 21 -14.812 2.436 -0.781 1.00 0.00 N ATOM 340 CA GLN A 21 -14.646 3.762 -0.150 1.00 0.00 C ATOM 341 C GLN A 21 -13.550 3.838 0.934 1.00 0.00 C ATOM 342 O GLN A 21 -13.612 4.675 1.839 1.00 0.00 O ATOM 343 CB GLN A 21 -15.996 4.305 0.367 1.00 0.00 C ATOM 344 CG GLN A 21 -17.134 4.288 -0.664 1.00 0.00 C ATOM 345 CD GLN A 21 -18.100 3.126 -0.465 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.697 2.928 0.585 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.324 2.331 -1.482 1.00 0.00 N ATOM 0 H GLN A 21 -14.569 2.458 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.285 4.411 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.300 3.717 1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.852 5.329 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.686 5.226 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.708 4.232 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.835 2.482 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.987 1.561 -1.391 1.00 0.00 H new ATOM 356 N ALA A 22 -12.547 2.963 0.860 1.00 0.00 N ATOM 357 CA ALA A 22 -11.488 2.826 1.844 1.00 0.00 C ATOM 358 C ALA A 22 -10.256 2.161 1.192 1.00 0.00 C ATOM 359 O ALA A 22 -10.408 1.184 0.451 1.00 0.00 O ATOM 360 CB ALA A 22 -12.035 1.995 3.011 1.00 0.00 C ATOM 0 H ALA A 22 -12.452 2.309 0.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.169 3.798 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.259 1.875 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.894 2.504 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.341 1.014 2.647 1.00 0.00 H new ATOM 366 N PRO A 23 -9.045 2.699 1.400 1.00 0.00 N ATOM 367 CA PRO A 23 -7.813 2.173 0.822 1.00 0.00 C ATOM 368 C PRO A 23 -7.316 0.901 1.525 1.00 0.00 C ATOM 369 O PRO A 23 -6.830 0.938 2.654 1.00 0.00 O ATOM 370 CB PRO A 23 -6.839 3.344 0.857 1.00 0.00 C ATOM 371 CG PRO A 23 -7.277 4.126 2.090 1.00 0.00 C ATOM 372 CD PRO A 23 -8.789 3.965 2.068 1.00 0.00 C ATOM 0 HA PRO A 23 -7.951 1.822 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.806 3.006 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.904 3.949 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.840 3.721 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.980 5.173 2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.196 3.963 3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.262 4.790 1.536 1.00 0.00 H new ATOM 380 N VAL A 24 -7.436 -0.239 0.838 1.00 0.00 N ATOM 381 CA VAL A 24 -7.062 -1.584 1.312 1.00 0.00 C ATOM 382 C VAL A 24 -5.845 -2.164 0.576 1.00 0.00 C ATOM 383 O VAL A 24 -5.628 -3.369 0.636 1.00 0.00 O ATOM 384 CB VAL A 24 -8.265 -2.563 1.295 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.529 -1.956 1.917 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.671 -3.049 -0.100 1.00 0.00 C ATOM 0 H VAL A 24 -7.814 -0.255 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.759 -1.460 2.352 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.894 -3.404 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.339 -2.684 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.331 -1.688 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.816 -1.064 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.519 -3.728 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.950 -2.194 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.833 -3.571 -0.562 1.00 0.00 H new ATOM 396 N HIS A 25 -5.050 -1.361 -0.149 1.00 0.00 N ATOM 397 CA HIS A 25 -3.830 -1.838 -0.835 1.00 0.00 C ATOM 398 C HIS A 25 -2.795 -0.717 -0.961 1.00 0.00 C ATOM 399 O HIS A 25 -3.169 0.429 -1.211 1.00 0.00 O ATOM 400 CB HIS A 25 -4.200 -2.371 -2.235 1.00 0.00 C ATOM 401 CG HIS A 25 -3.328 -3.484 -2.766 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.730 -4.784 -3.021 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.042 -3.352 -3.210 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.697 -5.431 -3.590 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.652 -4.588 -3.689 1.00 0.00 N ATOM 0 H HIS A 25 -5.231 -0.365 -0.278 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.391 -2.640 -0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.231 -2.724 -2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.166 -1.540 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.444 -2.453 -3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.705 -6.461 -3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.729 -4.822 -4.055 1.00 0.00 H new ATOM 414 N PHE A 26 -1.507 -1.040 -0.839 1.00 0.00 N ATOM 415 CA PHE A 26 -0.391 -0.096 -0.986 1.00 0.00 C ATOM 416 C PHE A 26 0.294 -0.245 -2.356 1.00 0.00 C ATOM 417 O PHE A 26 0.684 -1.352 -2.730 1.00 0.00 O ATOM 418 CB PHE A 26 0.612 -0.330 0.155 1.00 0.00 C ATOM 419 CG PHE A 26 1.841 0.553 0.092 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.705 1.955 0.084 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.123 -0.026 0.022 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.843 2.774 -0.017 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.262 0.792 -0.069 1.00 0.00 C ATOM 424 CZ PHE A 26 4.119 2.190 -0.097 1.00 0.00 C ATOM 0 H PHE A 26 -1.200 -1.990 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.777 0.922 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.108 -0.164 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.927 -1.373 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.724 2.402 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.231 -1.100 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.737 3.849 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.245 0.347 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.993 2.818 -0.180 1.00 0.00 H new ATOM 434 N VAL A 27 0.433 0.855 -3.105 1.00 0.00 N ATOM 435 CA VAL A 27 1.048 0.865 -4.449 1.00 0.00 C ATOM 436 C VAL A 27 2.489 1.385 -4.413 1.00 0.00 C ATOM 437 O VAL A 27 3.393 0.699 -4.892 1.00 0.00 O ATOM 438 CB VAL A 27 0.207 1.675 -5.457 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.816 1.642 -6.864 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.228 1.162 -5.581 1.00 0.00 C ATOM 0 H VAL A 27 0.120 1.776 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 27 1.073 -0.171 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 27 0.203 2.690 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.194 2.224 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.819 2.067 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.869 0.611 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.771 1.771 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.216 0.125 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.722 1.224 -4.611 1.00 0.00 H new ATOM 450 N GLY A 28 2.720 2.599 -3.898 1.00 0.00 N ATOM 451 CA GLY A 28 4.025 3.266 -4.001 1.00 0.00 C ATOM 452 C GLY A 28 4.116 4.621 -3.295 1.00 0.00 C ATOM 453 O GLY A 28 3.221 5.023 -2.551 1.00 0.00 O ATOM 0 H GLY A 28 2.014 3.143 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.787 2.606 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.263 3.406 -5.056 1.00 0.00 H new ATOM 457 N VAL A 29 5.229 5.321 -3.516 1.00 0.00 N ATOM 458 CA VAL A 29 5.645 6.539 -2.795 1.00 0.00 C ATOM 459 C VAL A 29 6.052 7.628 -3.790 1.00 0.00 C ATOM 460 O VAL A 29 6.950 7.416 -4.606 1.00 0.00 O ATOM 461 CB VAL A 29 6.812 6.229 -1.836 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.150 7.451 -0.984 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.485 5.082 -0.878 1.00 0.00 C ATOM 0 H VAL A 29 5.900 5.048 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 29 4.801 6.898 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 29 7.654 5.947 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.976 7.211 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.438 8.278 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.278 7.737 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.337 4.901 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.615 5.347 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.270 4.180 -1.451 1.00 0.00 H new ATOM 473 N GLY A 30 5.375 8.782 -3.759 1.00 0.00 N ATOM 474 CA GLY A 30 5.590 9.878 -4.722 1.00 0.00 C ATOM 475 C GLY A 30 5.150 9.587 -6.171 1.00 0.00 C ATOM 476 O GLY A 30 5.340 10.432 -7.046 1.00 0.00 O ATOM 0 H GLY A 30 4.658 8.987 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.054 10.759 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.650 10.131 -4.727 1.00 0.00 H new ATOM 480 N SER A 31 4.576 8.408 -6.431 1.00 0.00 N ATOM 481 CA SER A 31 4.146 7.880 -7.736 1.00 0.00 C ATOM 482 C SER A 31 3.317 6.594 -7.567 1.00 0.00 C ATOM 483 O SER A 31 3.302 5.990 -6.489 1.00 0.00 O ATOM 484 CB SER A 31 5.364 7.598 -8.637 1.00 0.00 C ATOM 485 OG SER A 31 6.193 6.579 -8.097 1.00 0.00 O ATOM 0 H SER A 31 4.384 7.745 -5.680 1.00 0.00 H new ATOM 0 HA SER A 31 3.521 8.638 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.022 7.301 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.945 8.512 -8.760 1.00 0.00 H new ATOM 0 HG SER A 31 6.954 6.425 -8.695 1.00 0.00 H new ATOM 491 N CYS A 32 2.639 6.157 -8.633 1.00 0.00 N ATOM 492 CA CYS A 32 1.905 4.889 -8.716 1.00 0.00 C ATOM 493 C CYS A 32 2.646 3.879 -9.618 1.00 0.00 C ATOM 494 O CYS A 32 2.725 4.056 -10.837 1.00 0.00 O ATOM 495 CB CYS A 32 0.487 5.160 -9.229 1.00 0.00 C ATOM 496 SG CYS A 32 -0.549 6.207 -8.170 1.00 0.00 S ATOM 0 H CYS A 32 2.584 6.698 -9.496 1.00 0.00 H new ATOM 0 HA CYS A 32 1.842 4.444 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.559 5.628 -10.211 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.018 4.204 -9.368 1.00 0.00 H new ATOM 501 N GLY A 33 3.197 2.816 -9.022 1.00 0.00 N ATOM 502 CA GLY A 33 3.992 1.780 -9.697 1.00 0.00 C ATOM 503 C GLY A 33 3.144 0.621 -10.235 1.00 0.00 C ATOM 504 O GLY A 33 3.079 -0.442 -9.615 1.00 0.00 O ATOM 0 H GLY A 33 3.099 2.646 -8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.541 2.233 -10.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.732 1.387 -8.999 1.00 0.00 H new ATOM 508 N SER A 34 2.479 0.829 -11.376 1.00 0.00 N ATOM 509 CA SER A 34 1.661 -0.187 -12.067 1.00 0.00 C ATOM 510 C SER A 34 2.496 -1.145 -12.948 1.00 0.00 C ATOM 511 O SER A 34 3.707 -0.973 -13.114 1.00 0.00 O ATOM 512 CB SER A 34 0.573 0.519 -12.888 1.00 0.00 C ATOM 513 OG SER A 34 -0.457 -0.391 -13.238 1.00 0.00 O ATOM 0 H SER A 34 2.491 1.727 -11.860 1.00 0.00 H new ATOM 0 HA SER A 34 1.201 -0.818 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.155 1.346 -12.314 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.010 0.946 -13.790 1.00 0.00 H new ATOM 0 HG SER A 34 -1.143 0.076 -13.759 1.00 0.00 H new ATOM 519 N GLY A 35 1.849 -2.165 -13.522 1.00 0.00 N ATOM 520 CA GLY A 35 2.440 -3.190 -14.395 1.00 0.00 C ATOM 521 C GLY A 35 1.433 -4.259 -14.849 1.00 0.00 C ATOM 522 O GLY A 35 0.250 -4.206 -14.499 1.00 0.00 O ATOM 0 H GLY A 35 0.848 -2.307 -13.385 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.866 -2.706 -15.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.262 -3.676 -13.868 1.00 0.00 H new ATOM 526 N GLY A 36 1.902 -5.235 -15.635 1.00 0.00 N ATOM 527 CA GLY A 36 1.095 -6.304 -16.246 1.00 0.00 C ATOM 528 C GLY A 36 1.721 -7.696 -16.103 1.00 0.00 C ATOM 529 O GLY A 36 2.010 -8.354 -17.106 1.00 0.00 O ATOM 0 H GLY A 36 2.891 -5.307 -15.874 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.106 -6.310 -15.788 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.955 -6.084 -17.304 1.00 0.00 H new ATOM 533 N SER A 37 1.928 -8.140 -14.860 1.00 0.00 N ATOM 534 CA SER A 37 2.542 -9.434 -14.498 1.00 0.00 C ATOM 535 C SER A 37 1.795 -10.127 -13.345 1.00 0.00 C ATOM 536 O SER A 37 1.078 -9.483 -12.575 1.00 0.00 O ATOM 537 CB SER A 37 4.014 -9.222 -14.105 1.00 0.00 C ATOM 538 OG SER A 37 4.770 -8.653 -15.165 1.00 0.00 O ATOM 0 H SER A 37 1.664 -7.591 -14.042 1.00 0.00 H new ATOM 0 HA SER A 37 2.478 -10.082 -15.372 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.066 -8.571 -13.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.454 -10.177 -13.818 1.00 0.00 H new ATOM 0 HG SER A 37 5.699 -8.532 -14.876 1.00 0.00 H new ATOM 544 N GLY A 38 2.001 -11.438 -13.179 1.00 0.00 N ATOM 545 CA GLY A 38 1.323 -12.303 -12.194 1.00 0.00 C ATOM 546 C GLY A 38 1.877 -12.242 -10.760 1.00 0.00 C ATOM 547 O GLY A 38 1.776 -13.223 -10.019 1.00 0.00 O ATOM 0 H GLY A 38 2.673 -11.952 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.267 -12.034 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.381 -13.334 -12.543 1.00 0.00 H new ATOM 551 N ILE A 39 2.504 -11.127 -10.375 1.00 0.00 N ATOM 552 CA ILE A 39 3.172 -10.917 -9.079 1.00 0.00 C ATOM 553 C ILE A 39 2.149 -10.936 -7.926 1.00 0.00 C ATOM 554 O ILE A 39 1.051 -10.383 -8.039 1.00 0.00 O ATOM 555 CB ILE A 39 3.979 -9.594 -9.099 1.00 0.00 C ATOM 556 CG1 ILE A 39 4.993 -9.574 -10.273 1.00 0.00 C ATOM 557 CG2 ILE A 39 4.724 -9.382 -7.768 1.00 0.00 C ATOM 558 CD1 ILE A 39 5.695 -8.226 -10.488 1.00 0.00 C ATOM 0 H ILE A 39 2.565 -10.309 -10.981 1.00 0.00 H new ATOM 0 HA ILE A 39 3.871 -11.736 -8.909 1.00 0.00 H new ATOM 0 HB ILE A 39 3.266 -8.781 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.749 -10.338 -10.096 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.472 -9.848 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.282 -8.447 -7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.004 -9.340 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.414 -10.209 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.385 -8.305 -11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.951 -7.458 -10.700 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.248 -7.956 -9.588 1.00 0.00 H new ATOM 570 N PHE A 40 2.523 -11.568 -6.808 1.00 0.00 N ATOM 571 CA PHE A 40 1.690 -11.723 -5.601 1.00 0.00 C ATOM 572 C PHE A 40 2.508 -11.819 -4.291 1.00 0.00 C ATOM 573 O PHE A 40 1.969 -12.130 -3.230 1.00 0.00 O ATOM 574 CB PHE A 40 0.761 -12.940 -5.783 1.00 0.00 C ATOM 575 CG PHE A 40 -0.584 -12.783 -5.095 1.00 0.00 C ATOM 576 CD1 PHE A 40 -1.617 -12.079 -5.744 1.00 0.00 C ATOM 577 CD2 PHE A 40 -0.804 -13.313 -3.809 1.00 0.00 C ATOM 578 CE1 PHE A 40 -2.863 -11.909 -5.114 1.00 0.00 C ATOM 579 CE2 PHE A 40 -2.048 -13.136 -3.175 1.00 0.00 C ATOM 580 CZ PHE A 40 -3.079 -12.436 -3.829 1.00 0.00 C ATOM 0 H PHE A 40 3.442 -12.001 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 40 1.094 -10.817 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.598 -13.107 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.258 -13.828 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.452 -11.668 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.016 -13.856 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.654 -11.373 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.212 -13.538 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.035 -12.304 -3.344 1.00 0.00 H new ATOM 590 N LEU A 41 3.824 -11.573 -4.350 1.00 0.00 N ATOM 591 CA LEU A 41 4.758 -11.652 -3.214 1.00 0.00 C ATOM 592 C LEU A 41 4.471 -10.658 -2.073 1.00 0.00 C ATOM 593 O LEU A 41 4.783 -10.912 -0.908 1.00 0.00 O ATOM 594 CB LEU A 41 6.195 -11.500 -3.746 1.00 0.00 C ATOM 595 CG LEU A 41 6.527 -10.256 -4.605 1.00 0.00 C ATOM 596 CD1 LEU A 41 6.984 -9.051 -3.787 1.00 0.00 C ATOM 597 CD2 LEU A 41 7.654 -10.579 -5.586 1.00 0.00 C ATOM 0 H LEU A 41 4.285 -11.304 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 41 4.620 -12.630 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.870 -11.504 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.427 -12.385 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 41 5.597 -10.001 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.199 -8.218 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.196 -8.764 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.884 -9.310 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.879 -9.697 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.544 -10.878 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.344 -11.393 -6.241 1.00 0.00 H new ATOM 609 N GLU A 42 3.867 -9.530 -2.428 1.00 0.00 N ATOM 610 CA GLU A 42 3.322 -8.501 -1.531 1.00 0.00 C ATOM 611 C GLU A 42 2.225 -9.030 -0.583 1.00 0.00 C ATOM 612 O GLU A 42 1.608 -10.071 -0.821 1.00 0.00 O ATOM 613 CB GLU A 42 2.803 -7.323 -2.381 1.00 0.00 C ATOM 614 CG GLU A 42 1.667 -7.691 -3.351 1.00 0.00 C ATOM 615 CD GLU A 42 1.538 -6.642 -4.469 1.00 0.00 C ATOM 616 OE1 GLU A 42 0.778 -5.660 -4.294 1.00 0.00 O ATOM 617 OE2 GLU A 42 2.190 -6.798 -5.529 1.00 0.00 O ATOM 0 H GLU A 42 3.733 -9.288 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 42 4.129 -8.168 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.453 -6.535 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.634 -6.910 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.859 -8.671 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.726 -7.764 -2.805 1.00 0.00 H new ATOM 624 N THR A 43 1.928 -8.279 0.486 1.00 0.00 N ATOM 625 CA THR A 43 0.880 -8.617 1.471 1.00 0.00 C ATOM 626 C THR A 43 -0.515 -8.752 0.835 1.00 0.00 C ATOM 627 O THR A 43 -1.329 -9.556 1.290 1.00 0.00 O ATOM 628 CB THR A 43 0.842 -7.551 2.578 1.00 0.00 C ATOM 629 OG1 THR A 43 2.126 -7.361 3.137 1.00 0.00 O ATOM 630 CG2 THR A 43 -0.109 -7.899 3.724 1.00 0.00 C ATOM 0 H THR A 43 2.413 -7.407 0.698 1.00 0.00 H new ATOM 0 HA THR A 43 1.138 -9.589 1.890 1.00 0.00 H new ATOM 0 HB THR A 43 0.483 -6.645 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.099 -7.565 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.086 -7.104 4.470 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.122 -8.004 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.203 -8.837 4.184 1.00 0.00 H new ATOM 638 N SER A 44 -0.780 -7.994 -0.237 1.00 0.00 N ATOM 639 CA SER A 44 -2.030 -7.967 -1.014 1.00 0.00 C ATOM 640 C SER A 44 -3.291 -7.861 -0.136 1.00 0.00 C ATOM 641 O SER A 44 -4.182 -8.712 -0.156 1.00 0.00 O ATOM 642 CB SER A 44 -2.063 -9.141 -2.004 1.00 0.00 C ATOM 643 OG SER A 44 -2.917 -8.823 -3.090 1.00 0.00 O ATOM 0 H SER A 44 -0.087 -7.344 -0.609 1.00 0.00 H new ATOM 0 HA SER A 44 -2.042 -7.047 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.057 -9.351 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.415 -10.043 -1.503 1.00 0.00 H new ATOM 0 HG SER A 44 -2.936 -9.572 -3.721 1.00 0.00 H new ATOM 649 N LEU A 45 -3.363 -6.778 0.652 1.00 0.00 N ATOM 650 CA LEU A 45 -4.403 -6.533 1.671 1.00 0.00 C ATOM 651 C LEU A 45 -5.851 -6.481 1.125 1.00 0.00 C ATOM 652 O LEU A 45 -6.808 -6.606 1.889 1.00 0.00 O ATOM 653 CB LEU A 45 -4.076 -5.242 2.454 1.00 0.00 C ATOM 654 CG LEU A 45 -2.921 -5.386 3.460 1.00 0.00 C ATOM 655 CD1 LEU A 45 -1.606 -4.880 2.856 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.188 -4.541 4.699 1.00 0.00 C ATOM 0 H LEU A 45 -2.679 -6.023 0.599 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.379 -7.400 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.827 -4.454 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.969 -4.919 2.988 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.847 -6.444 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.804 -4.992 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.369 -5.460 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.709 -3.828 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.362 -4.654 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.280 -3.493 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.113 -4.870 5.172 1.00 0.00 H new ATOM 668 N SER A 46 -6.023 -6.367 -0.191 1.00 0.00 N ATOM 669 CA SER A 46 -7.310 -6.478 -0.900 1.00 0.00 C ATOM 670 C SER A 46 -7.987 -7.848 -0.761 1.00 0.00 C ATOM 671 O SER A 46 -9.216 -7.934 -0.786 1.00 0.00 O ATOM 672 CB SER A 46 -7.127 -6.159 -2.387 1.00 0.00 C ATOM 673 OG SER A 46 -5.870 -6.609 -2.876 1.00 0.00 O ATOM 0 H SER A 46 -5.243 -6.188 -0.823 1.00 0.00 H new ATOM 0 HA SER A 46 -7.968 -5.751 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.928 -6.627 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.212 -5.083 -2.540 1.00 0.00 H new ATOM 0 HG SER A 46 -5.245 -5.855 -2.913 1.00 0.00 H new ATOM 679 N ALA A 47 -7.199 -8.908 -0.576 1.00 0.00 N ATOM 680 CA ALA A 47 -7.657 -10.275 -0.329 1.00 0.00 C ATOM 681 C ALA A 47 -7.057 -10.849 0.968 1.00 0.00 C ATOM 682 O ALA A 47 -5.882 -11.221 1.033 1.00 0.00 O ATOM 683 CB ALA A 47 -7.358 -11.141 -1.552 1.00 0.00 C ATOM 0 H ALA A 47 -6.182 -8.834 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.736 -10.269 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.699 -12.160 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.877 -10.736 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.284 -11.146 -1.740 1.00 0.00 H new ATOM 689 N GLY A 48 -7.887 -10.913 2.013 1.00 0.00 N ATOM 690 CA GLY A 48 -7.541 -11.427 3.347 1.00 0.00 C ATOM 691 C GLY A 48 -7.300 -10.355 4.420 1.00 0.00 C ATOM 692 O GLY A 48 -7.077 -10.708 5.581 1.00 0.00 O ATOM 0 H GLY A 48 -8.855 -10.597 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.343 -12.082 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.644 -12.040 3.261 1.00 0.00 H new ATOM 696 N SER A 49 -7.367 -9.064 4.070 1.00 0.00 N ATOM 697 CA SER A 49 -7.253 -7.927 5.003 1.00 0.00 C ATOM 698 C SER A 49 -8.309 -6.845 4.704 1.00 0.00 C ATOM 699 O SER A 49 -9.303 -7.100 4.018 1.00 0.00 O ATOM 700 CB SER A 49 -5.827 -7.347 4.997 1.00 0.00 C ATOM 701 OG SER A 49 -4.818 -8.341 5.096 1.00 0.00 O ATOM 0 H SER A 49 -7.506 -8.770 3.103 1.00 0.00 H new ATOM 0 HA SER A 49 -7.451 -8.300 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.678 -6.777 4.080 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.722 -6.648 5.827 1.00 0.00 H new ATOM 0 HG SER A 49 -3.936 -7.914 5.086 1.00 0.00 H new ATOM 707 N ASP A 50 -8.146 -5.649 5.274 1.00 0.00 N ATOM 708 CA ASP A 50 -9.034 -4.494 5.153 1.00 0.00 C ATOM 709 C ASP A 50 -8.220 -3.203 5.359 1.00 0.00 C ATOM 710 O ASP A 50 -7.078 -3.225 5.817 1.00 0.00 O ATOM 711 CB ASP A 50 -10.145 -4.600 6.216 1.00 0.00 C ATOM 712 CG ASP A 50 -11.314 -3.644 5.949 1.00 0.00 C ATOM 713 OD1 ASP A 50 -12.174 -3.959 5.094 1.00 0.00 O ATOM 714 OD2 ASP A 50 -11.347 -2.563 6.581 1.00 0.00 O ATOM 0 H ASP A 50 -7.341 -5.451 5.868 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.488 -4.472 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.518 -5.624 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.724 -4.386 7.198 1.00 0.00 H new ATOM 719 N TRP A 51 -8.840 -2.061 5.091 1.00 0.00 N ATOM 720 CA TRP A 51 -8.369 -0.727 5.468 1.00 0.00 C ATOM 721 C TRP A 51 -8.086 -0.612 6.980 1.00 0.00 C ATOM 722 O TRP A 51 -7.122 0.042 7.389 1.00 0.00 O ATOM 723 CB TRP A 51 -9.411 0.305 5.014 1.00 0.00 C ATOM 724 CG TRP A 51 -9.563 1.494 5.905 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.566 1.687 6.790 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.646 2.612 6.072 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.364 2.888 7.448 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.197 3.501 7.038 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.386 2.941 5.535 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.556 4.694 7.406 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.725 4.126 5.907 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.312 5.009 6.828 1.00 0.00 C ATOM 0 H TRP A 51 -9.724 -2.034 4.583 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.418 -0.536 4.971 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.144 0.652 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.378 -0.192 4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.393 1.012 6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.998 3.272 8.148 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.920 2.273 4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.011 5.361 8.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.760 4.358 5.482 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.810 5.928 7.092 1.00 0.00 H new ATOM 743 N LEU A 52 -8.899 -1.260 7.823 1.00 0.00 N ATOM 744 CA LEU A 52 -8.761 -1.224 9.282 1.00 0.00 C ATOM 745 C LEU A 52 -7.383 -1.754 9.733 1.00 0.00 C ATOM 746 O LEU A 52 -6.707 -1.131 10.552 1.00 0.00 O ATOM 747 CB LEU A 52 -9.940 -1.998 9.916 1.00 0.00 C ATOM 748 CG LEU A 52 -10.536 -1.403 11.207 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.521 -1.270 12.341 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.201 -0.044 10.971 1.00 0.00 C ATOM 0 H LEU A 52 -9.682 -1.832 7.505 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.804 -0.192 9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.736 -2.074 9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.606 -3.013 10.130 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.293 -2.125 11.513 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.009 -0.845 13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.122 -2.253 12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.707 -0.617 12.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.605 0.332 11.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.463 0.660 10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.009 -0.155 10.248 1.00 0.00 H new ATOM 762 N THR A 53 -6.935 -2.870 9.151 1.00 0.00 N ATOM 763 CA THR A 53 -5.611 -3.465 9.405 1.00 0.00 C ATOM 764 C THR A 53 -4.489 -2.864 8.550 1.00 0.00 C ATOM 765 O THR A 53 -3.351 -2.814 9.011 1.00 0.00 O ATOM 766 CB THR A 53 -5.646 -4.991 9.231 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.283 -5.362 8.026 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.422 -5.653 10.370 1.00 0.00 C ATOM 0 H THR A 53 -7.489 -3.398 8.477 1.00 0.00 H new ATOM 0 HA THR A 53 -5.378 -3.222 10.442 1.00 0.00 H new ATOM 0 HB THR A 53 -4.607 -5.321 9.225 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.287 -6.339 7.945 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.432 -6.733 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.942 -5.420 11.321 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.446 -5.278 10.379 1.00 0.00 H new ATOM 776 N PHE A 54 -4.784 -2.313 7.365 1.00 0.00 N ATOM 777 CA PHE A 54 -3.842 -1.588 6.493 1.00 0.00 C ATOM 778 C PHE A 54 -3.095 -0.466 7.221 1.00 0.00 C ATOM 779 O PHE A 54 -1.880 -0.324 7.069 1.00 0.00 O ATOM 780 CB PHE A 54 -4.620 -1.038 5.287 1.00 0.00 C ATOM 781 CG PHE A 54 -3.884 -0.054 4.400 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.953 1.327 4.678 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.170 -0.506 3.278 1.00 0.00 C ATOM 784 CE1 PHE A 54 -3.290 2.251 3.852 1.00 0.00 C ATOM 785 CE2 PHE A 54 -2.512 0.421 2.452 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.557 1.793 2.747 1.00 0.00 C ATOM 0 H PHE A 54 -5.723 -2.361 6.969 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.074 -2.287 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.937 -1.881 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.524 -0.554 5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.518 1.676 5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.127 -1.561 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.345 3.308 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.968 0.076 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.027 2.497 2.122 1.00 0.00 H new ATOM 796 N GLN A 55 -3.813 0.293 8.052 1.00 0.00 N ATOM 797 CA GLN A 55 -3.239 1.303 8.942 1.00 0.00 C ATOM 798 C GLN A 55 -2.203 0.668 9.876 1.00 0.00 C ATOM 799 O GLN A 55 -1.017 0.978 9.798 1.00 0.00 O ATOM 800 CB GLN A 55 -4.356 1.974 9.750 1.00 0.00 C ATOM 801 CG GLN A 55 -5.279 2.826 8.875 1.00 0.00 C ATOM 802 CD GLN A 55 -6.625 3.001 9.561 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.845 3.891 10.372 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.557 2.121 9.286 1.00 0.00 N ATOM 0 H GLN A 55 -4.828 0.221 8.126 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.734 2.060 8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.944 1.209 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.914 2.601 10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.825 3.800 8.692 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.415 2.350 7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.374 1.379 8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.465 2.178 9.748 1.00 0.00 H new ATOM 813 N LYS A 56 -2.638 -0.269 10.727 1.00 0.00 N ATOM 814 CA LYS A 56 -1.774 -0.957 11.710 1.00 0.00 C ATOM 815 C LYS A 56 -0.577 -1.707 11.096 1.00 0.00 C ATOM 816 O LYS A 56 0.424 -1.922 11.785 1.00 0.00 O ATOM 817 CB LYS A 56 -2.621 -1.900 12.586 1.00 0.00 C ATOM 818 CG LYS A 56 -3.787 -1.217 13.328 1.00 0.00 C ATOM 819 CD LYS A 56 -3.336 -0.035 14.200 1.00 0.00 C ATOM 820 CE LYS A 56 -4.510 0.500 15.027 1.00 0.00 C ATOM 821 NZ LYS A 56 -4.098 1.648 15.880 1.00 0.00 N ATOM 0 H LYS A 56 -3.609 -0.578 10.757 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.332 -0.172 12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.024 -2.694 11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.970 -2.375 13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.517 -0.865 12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.291 -1.952 13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.531 -0.351 14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.936 0.759 13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.314 0.811 14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.907 -0.297 15.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.916 1.986 16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.348 1.344 16.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.742 2.418 15.278 1.00 0.00 H new ATOM 835 N LYS A 57 -0.652 -2.064 9.807 1.00 0.00 N ATOM 836 CA LYS A 57 0.414 -2.706 9.019 1.00 0.00 C ATOM 837 C LYS A 57 1.613 -1.773 8.784 1.00 0.00 C ATOM 838 O LYS A 57 2.735 -2.162 9.098 1.00 0.00 O ATOM 839 CB LYS A 57 -0.197 -3.282 7.723 1.00 0.00 C ATOM 840 CG LYS A 57 0.613 -4.399 7.041 1.00 0.00 C ATOM 841 CD LYS A 57 1.817 -3.918 6.217 1.00 0.00 C ATOM 842 CE LYS A 57 2.437 -5.108 5.472 1.00 0.00 C ATOM 843 NZ LYS A 57 3.631 -4.711 4.680 1.00 0.00 N ATOM 0 H LYS A 57 -1.497 -1.907 9.257 1.00 0.00 H new ATOM 0 HA LYS A 57 0.835 -3.536 9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.191 -3.667 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.327 -2.467 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.968 -5.089 7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.053 -4.963 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.502 -3.154 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.558 -3.459 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.719 -5.878 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.692 -5.548 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.018 -5.545 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.359 -3.995 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.353 -4.315 5.315 1.00 0.00 H new ATOM 857 N HIS A 58 1.425 -0.570 8.218 1.00 0.00 N ATOM 858 CA HIS A 58 2.546 0.322 7.836 1.00 0.00 C ATOM 859 C HIS A 58 2.272 1.836 7.970 1.00 0.00 C ATOM 860 O HIS A 58 2.924 2.655 7.327 1.00 0.00 O ATOM 861 CB HIS A 58 3.021 -0.058 6.423 1.00 0.00 C ATOM 862 CG HIS A 58 2.085 0.422 5.345 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.310 1.531 4.555 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.825 -0.046 5.090 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.190 1.737 3.834 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.275 0.794 4.142 1.00 0.00 N ATOM 0 H HIS A 58 0.503 -0.186 8.011 1.00 0.00 H new ATOM 0 HA HIS A 58 3.339 0.155 8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.012 0.363 6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.119 -1.142 6.357 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.163 2.089 4.523 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.352 -0.905 5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.047 2.534 3.120 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.661 0.715 3.744 1.00 0.00 H new ATOM 875 N ILE A 59 1.313 2.237 8.793 1.00 0.00 N ATOM 876 CA ILE A 59 0.960 3.645 9.065 1.00 0.00 C ATOM 877 C ILE A 59 0.980 3.881 10.579 1.00 0.00 C ATOM 878 O ILE A 59 0.684 2.980 11.368 1.00 0.00 O ATOM 879 CB ILE A 59 -0.403 4.022 8.423 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.411 3.612 6.929 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.721 5.521 8.593 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.494 4.251 6.053 1.00 0.00 C ATOM 0 H ILE A 59 0.733 1.578 9.313 1.00 0.00 H new ATOM 0 HA ILE A 59 1.698 4.302 8.604 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.189 3.474 8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.562 3.856 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.521 2.529 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.682 5.744 8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.764 5.766 9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.058 6.115 8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.397 3.887 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.478 3.987 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.379 5.335 6.064 1.00 0.00 H new ATOM 894 N THR A 60 1.340 5.094 10.997 1.00 0.00 N ATOM 895 CA THR A 60 1.328 5.482 12.417 1.00 0.00 C ATOM 896 C THR A 60 0.891 6.931 12.646 1.00 0.00 C ATOM 897 O THR A 60 1.102 7.808 11.810 1.00 0.00 O ATOM 898 CB THR A 60 2.689 5.191 13.071 1.00 0.00 C ATOM 899 OG1 THR A 60 2.619 5.517 14.440 1.00 0.00 O ATOM 900 CG2 THR A 60 3.863 5.957 12.459 1.00 0.00 C ATOM 0 H THR A 60 1.648 5.836 10.368 1.00 0.00 H new ATOM 0 HA THR A 60 0.571 4.867 12.903 1.00 0.00 H new ATOM 0 HB THR A 60 2.881 4.131 12.903 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.489 5.853 14.741 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.782 5.691 12.981 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.956 5.698 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.688 7.029 12.555 1.00 0.00 H new ATOM 908 N ASN A 61 0.310 7.185 13.823 1.00 0.00 N ATOM 909 CA ASN A 61 0.016 8.509 14.363 1.00 0.00 C ATOM 910 C ASN A 61 1.234 9.152 15.070 1.00 0.00 C ATOM 911 O ASN A 61 1.135 10.281 15.550 1.00 0.00 O ATOM 912 CB ASN A 61 -1.205 8.373 15.292 1.00 0.00 C ATOM 913 CG ASN A 61 -0.958 7.491 16.508 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.373 7.903 17.499 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.390 6.251 16.474 1.00 0.00 N ATOM 0 H ASN A 61 0.020 6.436 14.451 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.215 9.194 13.548 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.505 9.365 15.630 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.039 7.964 14.722 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.237 5.636 17.273 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.879 5.904 15.649 1.00 0.00 H new ATOM 922 N THR A 62 2.374 8.450 15.141 1.00 0.00 N ATOM 923 CA THR A 62 3.648 8.915 15.717 1.00 0.00 C ATOM 924 C THR A 62 4.826 8.031 15.265 1.00 0.00 C ATOM 925 O THR A 62 4.953 6.873 15.673 1.00 0.00 O ATOM 926 CB THR A 62 3.550 9.014 17.257 1.00 0.00 C ATOM 927 OG1 THR A 62 4.767 9.480 17.804 1.00 0.00 O ATOM 928 CG2 THR A 62 3.165 7.721 17.988 1.00 0.00 C ATOM 0 H THR A 62 2.438 7.497 14.782 1.00 0.00 H new ATOM 0 HA THR A 62 3.846 9.918 15.338 1.00 0.00 H new ATOM 0 HB THR A 62 2.731 9.715 17.418 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.686 9.538 18.779 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.126 7.907 19.061 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.187 7.385 17.643 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.908 6.951 17.780 1.00 0.00 H new ATOM 936 N ARG A 63 5.696 8.537 14.374 1.00 0.00 N ATOM 937 CA ARG A 63 6.956 7.856 14.010 1.00 0.00 C ATOM 938 C ARG A 63 7.926 7.850 15.202 1.00 0.00 C ATOM 939 O ARG A 63 8.486 8.886 15.561 1.00 0.00 O ATOM 940 CB ARG A 63 7.599 8.491 12.761 1.00 0.00 C ATOM 941 CG ARG A 63 8.906 7.775 12.379 1.00 0.00 C ATOM 942 CD ARG A 63 9.568 8.446 11.176 1.00 0.00 C ATOM 943 NE ARG A 63 10.174 9.745 11.536 1.00 0.00 N ATOM 944 CZ ARG A 63 10.506 10.743 10.737 1.00 0.00 C ATOM 945 NH1 ARG A 63 10.260 10.728 9.458 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.110 11.790 11.216 1.00 0.00 N ATOM 0 H ARG A 63 5.550 9.422 13.888 1.00 0.00 H new ATOM 0 HA ARG A 63 6.723 6.821 13.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.900 8.445 11.926 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.801 9.545 12.950 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.591 7.784 13.227 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.698 6.730 12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.335 7.787 10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.827 8.596 10.390 1.00 0.00 H new ATOM 0 HE ARG A 63 10.360 9.889 12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.794 9.924 9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.533 11.520 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.329 11.842 12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.365 12.559 10.597 1.00 0.00 H new ATOM 960 N ASP A 64 8.154 6.669 15.772 1.00 0.00 N ATOM 961 CA ASP A 64 9.097 6.417 16.878 1.00 0.00 C ATOM 962 C ASP A 64 10.065 5.241 16.595 1.00 0.00 C ATOM 963 O ASP A 64 10.806 4.798 17.475 1.00 0.00 O ATOM 964 CB ASP A 64 8.276 6.215 18.164 1.00 0.00 C ATOM 965 CG ASP A 64 9.126 6.261 19.448 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.865 7.256 19.655 1.00 0.00 O ATOM 967 OD2 ASP A 64 9.014 5.333 20.286 1.00 0.00 O ATOM 0 H ASP A 64 7.672 5.823 15.470 1.00 0.00 H new ATOM 0 HA ASP A 64 9.754 7.279 16.994 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.506 6.985 18.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.763 5.255 18.111 1.00 0.00 H new ATOM 972 N VAL A 65 10.055 4.707 15.367 1.00 0.00 N ATOM 973 CA VAL A 65 10.793 3.494 14.971 1.00 0.00 C ATOM 974 C VAL A 65 12.298 3.766 14.798 1.00 0.00 C ATOM 975 O VAL A 65 12.699 4.797 14.256 1.00 0.00 O ATOM 976 CB VAL A 65 10.185 2.884 13.688 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.911 1.593 13.291 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.703 2.537 13.894 1.00 0.00 C ATOM 0 H VAL A 65 9.521 5.115 14.600 1.00 0.00 H new ATOM 0 HA VAL A 65 10.693 2.769 15.779 1.00 0.00 H new ATOM 0 HB VAL A 65 10.294 3.633 12.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.461 1.187 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.964 1.809 13.108 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.825 0.864 14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.299 2.109 12.977 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.608 1.814 14.704 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.149 3.441 14.148 1.00 0.00 H new ATOM 988 N ASP A 66 13.128 2.806 15.224 1.00 0.00 N ATOM 989 CA ASP A 66 14.603 2.855 15.192 1.00 0.00 C ATOM 990 C ASP A 66 15.245 1.638 14.478 1.00 0.00 C ATOM 991 O ASP A 66 16.467 1.500 14.440 1.00 0.00 O ATOM 992 CB ASP A 66 15.104 3.003 16.638 1.00 0.00 C ATOM 993 CG ASP A 66 16.579 3.438 16.740 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.963 4.454 16.111 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.343 2.804 17.509 1.00 0.00 O ATOM 0 H ASP A 66 12.779 1.933 15.619 1.00 0.00 H new ATOM 0 HA ASP A 66 14.911 3.714 14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.482 3.733 17.156 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.978 2.052 17.156 1.00 0.00 H new ATOM 1000 N CYS A 67 14.418 0.758 13.895 1.00 0.00 N ATOM 1001 CA CYS A 67 14.798 -0.436 13.123 1.00 0.00 C ATOM 1002 C CYS A 67 15.732 -1.414 13.881 1.00 0.00 C ATOM 1003 O CYS A 67 16.661 -1.991 13.319 1.00 0.00 O ATOM 1004 CB CYS A 67 15.284 -0.014 11.724 1.00 0.00 C ATOM 1005 SG CYS A 67 14.265 1.267 10.928 1.00 0.00 S ATOM 0 H CYS A 67 13.405 0.867 13.953 1.00 0.00 H new ATOM 0 HA CYS A 67 13.908 -1.049 12.981 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.308 0.351 11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.308 -0.894 11.081 1.00 0.00 H new ATOM 1010 N ASP A 68 15.459 -1.606 15.179 1.00 0.00 N ATOM 1011 CA ASP A 68 16.173 -2.490 16.115 1.00 0.00 C ATOM 1012 C ASP A 68 15.285 -3.012 17.265 1.00 0.00 C ATOM 1013 O ASP A 68 15.530 -4.103 17.777 1.00 0.00 O ATOM 1014 CB ASP A 68 17.397 -1.755 16.698 1.00 0.00 C ATOM 1015 CG ASP A 68 18.682 -2.053 15.911 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.009 -3.251 15.745 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.410 -1.113 15.516 1.00 0.00 O ATOM 0 H ASP A 68 14.686 -1.119 15.633 1.00 0.00 H new ATOM 0 HA ASP A 68 16.487 -3.361 15.541 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.210 -0.681 16.692 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.534 -2.049 17.739 1.00 0.00 H new ATOM 1022 N ASN A 69 14.225 -2.287 17.647 1.00 0.00 N ATOM 1023 CA ASN A 69 13.253 -2.702 18.672 1.00 0.00 C ATOM 1024 C ASN A 69 11.954 -3.288 18.085 1.00 0.00 C ATOM 1025 O ASN A 69 11.126 -3.820 18.827 1.00 0.00 O ATOM 1026 CB ASN A 69 12.977 -1.550 19.648 1.00 0.00 C ATOM 1027 CG ASN A 69 12.288 -0.373 18.995 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.077 -0.313 18.846 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.060 0.591 18.559 1.00 0.00 N ATOM 0 H ASN A 69 14.013 -1.374 17.244 1.00 0.00 H new ATOM 0 HA ASN A 69 13.709 -3.522 19.227 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.359 -1.916 20.468 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.919 -1.217 20.083 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.651 1.400 18.091 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.070 0.533 18.688 1.00 0.00 H new ATOM 1036 N ILE A 70 11.788 -3.265 16.754 1.00 0.00 N ATOM 1037 CA ILE A 70 10.602 -3.782 16.040 1.00 0.00 C ATOM 1038 C ILE A 70 10.393 -5.298 16.170 1.00 0.00 C ATOM 1039 O ILE A 70 9.353 -5.818 15.783 1.00 0.00 O ATOM 1040 CB ILE A 70 10.609 -3.330 14.568 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.731 -3.997 13.738 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.664 -1.793 14.543 1.00 0.00 C ATOM 1043 CD1 ILE A 70 11.917 -3.358 12.363 1.00 0.00 C ATOM 0 H ILE A 70 12.491 -2.877 16.125 1.00 0.00 H new ATOM 0 HA ILE A 70 9.739 -3.340 16.539 1.00 0.00 H new ATOM 0 HB ILE A 70 9.693 -3.662 14.080 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.669 -3.937 14.290 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.502 -5.055 13.613 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.670 -1.446 13.510 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.791 -1.389 15.056 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.570 -1.453 15.045 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.718 -3.870 11.829 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.991 -3.442 11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.175 -2.306 12.483 1.00 0.00 H new ATOM 1055 N MET A 71 11.336 -5.998 16.809 1.00 0.00 N ATOM 1056 CA MET A 71 11.117 -7.336 17.385 1.00 0.00 C ATOM 1057 C MET A 71 9.910 -7.408 18.350 1.00 0.00 C ATOM 1058 O MET A 71 9.325 -8.478 18.525 1.00 0.00 O ATOM 1059 CB MET A 71 12.392 -7.830 18.091 1.00 0.00 C ATOM 1060 CG MET A 71 12.783 -6.989 19.316 1.00 0.00 C ATOM 1061 SD MET A 71 14.212 -7.622 20.227 1.00 0.00 S ATOM 1062 CE MET A 71 14.217 -6.445 21.609 1.00 0.00 C ATOM 0 H MET A 71 12.285 -5.650 16.944 1.00 0.00 H new ATOM 0 HA MET A 71 10.878 -7.991 16.547 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.247 -8.864 18.402 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.217 -7.824 17.379 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.996 -5.971 18.990 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.930 -6.935 19.993 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.040 -6.680 22.284 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.341 -5.433 21.224 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.273 -6.514 22.149 1.00 0.00 H new ATOM 1072 N SER A 72 9.538 -6.281 18.976 1.00 0.00 N ATOM 1073 CA SER A 72 8.437 -6.160 19.945 1.00 0.00 C ATOM 1074 C SER A 72 7.122 -5.642 19.332 1.00 0.00 C ATOM 1075 O SER A 72 6.063 -5.780 19.950 1.00 0.00 O ATOM 1076 CB SER A 72 8.886 -5.230 21.081 1.00 0.00 C ATOM 1077 OG SER A 72 8.053 -5.354 22.224 1.00 0.00 O ATOM 0 H SER A 72 10.015 -5.394 18.815 1.00 0.00 H new ATOM 0 HA SER A 72 8.219 -7.162 20.314 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.915 -5.461 21.355 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.873 -4.197 20.732 1.00 0.00 H new ATOM 0 HG SER A 72 7.172 -5.685 21.952 1.00 0.00 H new ATOM 1083 N THR A 73 7.158 -5.058 18.128 1.00 0.00 N ATOM 1084 CA THR A 73 5.973 -4.608 17.368 1.00 0.00 C ATOM 1085 C THR A 73 5.517 -5.686 16.373 1.00 0.00 C ATOM 1086 O THR A 73 6.108 -6.764 16.293 1.00 0.00 O ATOM 1087 CB THR A 73 6.235 -3.276 16.640 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.208 -3.443 15.637 1.00 0.00 O ATOM 1089 CG2 THR A 73 6.721 -2.169 17.578 1.00 0.00 C ATOM 0 H THR A 73 8.034 -4.878 17.637 1.00 0.00 H new ATOM 0 HA THR A 73 5.172 -4.440 18.087 1.00 0.00 H new ATOM 0 HB THR A 73 5.277 -2.979 16.214 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.709 -4.269 15.802 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.888 -1.256 17.007 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.968 -1.985 18.345 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.653 -2.477 18.052 1.00 0.00 H new ATOM 1097 N ASN A 74 4.452 -5.430 15.601 1.00 0.00 N ATOM 1098 CA ASN A 74 3.952 -6.379 14.594 1.00 0.00 C ATOM 1099 C ASN A 74 4.893 -6.584 13.380 1.00 0.00 C ATOM 1100 O ASN A 74 4.719 -7.527 12.611 1.00 0.00 O ATOM 1101 CB ASN A 74 2.515 -5.996 14.195 1.00 0.00 C ATOM 1102 CG ASN A 74 2.375 -4.800 13.264 1.00 0.00 C ATOM 1103 OD1 ASN A 74 2.586 -4.894 12.066 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.967 -3.655 13.764 1.00 0.00 N ATOM 0 H ASN A 74 3.915 -4.565 15.655 1.00 0.00 H new ATOM 0 HA ASN A 74 3.934 -7.365 15.058 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.050 -6.859 13.718 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.949 -5.791 15.104 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.828 -2.851 13.151 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.789 -3.570 14.765 1.00 0.00 H new ATOM 1111 N LEU A 75 5.922 -5.743 13.238 1.00 0.00 N ATOM 1112 CA LEU A 75 6.927 -5.731 12.167 1.00 0.00 C ATOM 1113 C LEU A 75 8.131 -6.675 12.396 1.00 0.00 C ATOM 1114 O LEU A 75 9.122 -6.596 11.664 1.00 0.00 O ATOM 1115 CB LEU A 75 7.404 -4.272 11.992 1.00 0.00 C ATOM 1116 CG LEU A 75 6.384 -3.231 11.493 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.492 -3.775 10.382 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.524 -2.619 12.599 1.00 0.00 C ATOM 0 H LEU A 75 6.088 -4.999 13.916 1.00 0.00 H new ATOM 0 HA LEU A 75 6.451 -6.116 11.265 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.788 -3.929 12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.243 -4.277 11.297 1.00 0.00 H new ATOM 0 HG LEU A 75 7.000 -2.428 11.088 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.792 -3.002 10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.108 -4.074 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.938 -4.638 10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.833 -1.897 12.165 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.960 -3.406 13.099 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.166 -2.117 13.323 1.00 0.00 H new ATOM 1130 N PHE A 76 8.051 -7.586 13.371 1.00 0.00 N ATOM 1131 CA PHE A 76 9.131 -8.460 13.860 1.00 0.00 C ATOM 1132 C PHE A 76 9.609 -9.515 12.854 1.00 0.00 C ATOM 1133 O PHE A 76 10.616 -10.189 13.073 1.00 0.00 O ATOM 1134 CB PHE A 76 8.671 -9.162 15.144 1.00 0.00 C ATOM 1135 CG PHE A 76 7.610 -10.239 14.967 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.246 -9.897 14.904 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.987 -11.594 14.889 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.266 -10.897 14.776 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.007 -12.596 14.759 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.646 -12.248 14.709 1.00 0.00 C ATOM 0 H PHE A 76 7.178 -7.745 13.873 1.00 0.00 H new ATOM 0 HA PHE A 76 9.985 -7.807 14.038 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.542 -9.611 15.622 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.285 -8.408 15.830 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.950 -8.859 14.954 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.032 -11.865 14.929 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.221 -10.627 14.729 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.301 -13.633 14.698 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.894 -13.018 14.619 1.00 0.00 H new ATOM 1150 N HIS A 77 8.888 -9.644 11.741 1.00 0.00 N ATOM 1151 CA HIS A 77 9.054 -10.645 10.682 1.00 0.00 C ATOM 1152 C HIS A 77 10.405 -10.597 9.930 1.00 0.00 C ATOM 1153 O HIS A 77 10.658 -11.458 9.089 1.00 0.00 O ATOM 1154 CB HIS A 77 7.878 -10.455 9.706 1.00 0.00 C ATOM 1155 CG HIS A 77 6.522 -10.632 10.349 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.055 -11.776 10.968 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.555 -9.669 10.444 1.00 0.00 C ATOM 1158 CE1 HIS A 77 4.820 -11.509 11.439 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.498 -10.234 11.135 1.00 0.00 N ATOM 0 H HIS A 77 8.117 -9.007 11.539 1.00 0.00 H new ATOM 0 HA HIS A 77 9.058 -11.629 11.150 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.936 -9.458 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.978 -11.167 8.887 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.607 -8.663 10.055 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.190 -12.204 11.974 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.624 -9.766 11.374 1.00 0.00 H new ATOM 1168 N CYS A 78 11.248 -9.588 10.195 1.00 0.00 N ATOM 1169 CA CYS A 78 12.426 -9.196 9.398 1.00 0.00 C ATOM 1170 C CYS A 78 12.172 -9.263 7.872 1.00 0.00 C ATOM 1171 O CYS A 78 12.861 -9.939 7.100 1.00 0.00 O ATOM 1172 CB CYS A 78 13.692 -9.922 9.887 1.00 0.00 C ATOM 1173 SG CYS A 78 15.227 -9.428 9.036 1.00 0.00 S ATOM 0 H CYS A 78 11.122 -8.991 11.012 1.00 0.00 H new ATOM 0 HA CYS A 78 12.616 -8.137 9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.810 -9.740 10.955 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.551 -10.995 9.760 1.00 0.00 H new ATOM 1178 N LYS A 79 11.132 -8.538 7.443 1.00 0.00 N ATOM 1179 CA LYS A 79 10.841 -8.221 6.035 1.00 0.00 C ATOM 1180 C LYS A 79 11.914 -7.302 5.428 1.00 0.00 C ATOM 1181 O LYS A 79 12.609 -6.592 6.152 1.00 0.00 O ATOM 1182 CB LYS A 79 9.406 -7.667 5.907 1.00 0.00 C ATOM 1183 CG LYS A 79 8.976 -6.620 6.952 1.00 0.00 C ATOM 1184 CD LYS A 79 9.693 -5.266 6.832 1.00 0.00 C ATOM 1185 CE LYS A 79 10.635 -4.908 7.997 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.899 -4.621 9.258 1.00 0.00 N ATOM 0 H LYS A 79 10.446 -8.142 8.085 1.00 0.00 H new ATOM 0 HA LYS A 79 10.883 -9.136 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.299 -7.224 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.711 -8.505 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.902 -6.457 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.156 -7.025 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.270 -5.261 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.940 -4.483 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.329 -5.731 8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.232 -4.038 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.383 -3.861 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.928 -4.323 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.870 -5.478 9.846 1.00 0.00 H new ATOM 1200 N ASP A 80 12.029 -7.280 4.101 1.00 0.00 N ATOM 1201 CA ASP A 80 13.106 -6.587 3.365 1.00 0.00 C ATOM 1202 C ASP A 80 13.080 -5.055 3.505 1.00 0.00 C ATOM 1203 O ASP A 80 14.134 -4.417 3.557 1.00 0.00 O ATOM 1204 CB ASP A 80 13.029 -6.959 1.878 1.00 0.00 C ATOM 1205 CG ASP A 80 13.234 -8.465 1.641 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.396 -8.909 1.494 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.226 -9.210 1.599 1.00 0.00 O ATOM 0 H ASP A 80 11.365 -7.751 3.486 1.00 0.00 H new ATOM 0 HA ASP A 80 14.042 -6.921 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.059 -6.660 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.785 -6.401 1.327 1.00 0.00 H new ATOM 1212 N LYS A 81 11.881 -4.466 3.574 1.00 0.00 N ATOM 1213 CA LYS A 81 11.626 -3.054 3.903 1.00 0.00 C ATOM 1214 C LYS A 81 10.184 -2.835 4.358 1.00 0.00 C ATOM 1215 O LYS A 81 9.291 -3.602 3.998 1.00 0.00 O ATOM 1216 CB LYS A 81 11.973 -2.121 2.717 1.00 0.00 C ATOM 1217 CG LYS A 81 11.498 -2.630 1.346 1.00 0.00 C ATOM 1218 CD LYS A 81 11.666 -1.579 0.234 1.00 0.00 C ATOM 1219 CE LYS A 81 10.529 -0.547 0.171 1.00 0.00 C ATOM 1220 NZ LYS A 81 9.309 -1.096 -0.482 1.00 0.00 N ATOM 0 H LYS A 81 11.020 -4.983 3.394 1.00 0.00 H new ATOM 0 HA LYS A 81 12.283 -2.798 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.531 -1.142 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.054 -1.982 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.059 -3.527 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.449 -2.918 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.610 -1.055 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.733 -2.089 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.282 -0.218 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.868 0.332 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.568 -0.366 -0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.536 -1.386 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.969 -1.919 0.054 1.00 0.00 H new ATOM 1234 N ASN A 82 9.962 -1.766 5.117 1.00 0.00 N ATOM 1235 CA ASN A 82 8.636 -1.273 5.499 1.00 0.00 C ATOM 1236 C ASN A 82 8.553 0.231 5.238 1.00 0.00 C ATOM 1237 O ASN A 82 9.427 0.979 5.677 1.00 0.00 O ATOM 1238 CB ASN A 82 8.362 -1.580 6.985 1.00 0.00 C ATOM 1239 CG ASN A 82 6.894 -1.868 7.259 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.231 -2.621 6.559 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.348 -1.319 8.312 1.00 0.00 N ATOM 0 H ASN A 82 10.721 -1.199 5.496 1.00 0.00 H new ATOM 0 HA ASN A 82 7.878 -1.778 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.961 -2.438 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.683 -0.734 7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.375 -1.519 8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.894 -0.690 8.900 1.00 0.00 H new ATOM 1248 N THR A 83 7.505 0.667 4.541 1.00 0.00 N ATOM 1249 CA THR A 83 7.251 2.082 4.254 1.00 0.00 C ATOM 1250 C THR A 83 6.262 2.645 5.275 1.00 0.00 C ATOM 1251 O THR A 83 5.045 2.520 5.104 1.00 0.00 O ATOM 1252 CB THR A 83 6.708 2.257 2.828 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.587 1.688 1.879 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.543 3.734 2.496 1.00 0.00 C ATOM 0 H THR A 83 6.798 0.042 4.154 1.00 0.00 H new ATOM 0 HA THR A 83 8.190 2.630 4.328 1.00 0.00 H new ATOM 0 HB THR A 83 5.743 1.752 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.507 1.958 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.157 3.838 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.844 4.189 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.509 4.234 2.570 1.00 0.00 H new ATOM 1262 N PHE A 84 6.776 3.245 6.351 1.00 0.00 N ATOM 1263 CA PHE A 84 5.964 3.910 7.371 1.00 0.00 C ATOM 1264 C PHE A 84 5.494 5.291 6.899 1.00 0.00 C ATOM 1265 O PHE A 84 6.299 6.135 6.494 1.00 0.00 O ATOM 1266 CB PHE A 84 6.705 4.044 8.704 1.00 0.00 C ATOM 1267 CG PHE A 84 7.080 2.749 9.389 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.081 1.887 9.879 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.438 2.439 9.589 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.440 0.730 10.593 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.794 1.244 10.241 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.797 0.399 10.767 1.00 0.00 C ATOM 0 H PHE A 84 7.778 3.283 6.540 1.00 0.00 H new ATOM 0 HA PHE A 84 5.093 3.275 7.531 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.616 4.619 8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.084 4.625 9.385 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.039 2.114 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.205 3.116 9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.673 0.094 11.009 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.835 0.974 10.339 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.073 -0.498 11.301 1.00 0.00 H new ATOM 1282 N ILE A 85 4.187 5.523 6.993 1.00 0.00 N ATOM 1283 CA ILE A 85 3.513 6.794 6.699 1.00 0.00 C ATOM 1284 C ILE A 85 3.114 7.436 8.034 1.00 0.00 C ATOM 1285 O ILE A 85 2.289 6.880 8.763 1.00 0.00 O ATOM 1286 CB ILE A 85 2.291 6.522 5.790 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.727 5.944 4.423 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.429 7.777 5.575 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.550 5.345 3.648 1.00 0.00 C ATOM 0 H ILE A 85 3.534 4.798 7.290 1.00 0.00 H new ATOM 0 HA ILE A 85 4.167 7.483 6.165 1.00 0.00 H new ATOM 0 HB ILE A 85 1.681 5.784 6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.189 6.732 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.485 5.177 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.585 7.532 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.060 8.134 6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.030 8.555 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.904 4.952 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.104 4.539 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.803 6.118 3.466 1.00 0.00 H new ATOM 1301 N TYR A 86 3.702 8.583 8.383 1.00 0.00 N ATOM 1302 CA TYR A 86 3.259 9.381 9.530 1.00 0.00 C ATOM 1303 C TYR A 86 2.123 10.338 9.115 1.00 0.00 C ATOM 1304 O TYR A 86 2.358 11.509 8.802 1.00 0.00 O ATOM 1305 CB TYR A 86 4.470 10.058 10.188 1.00 0.00 C ATOM 1306 CG TYR A 86 4.206 10.981 11.372 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.027 10.893 12.142 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.171 11.956 11.696 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.794 11.811 13.184 1.00 0.00 C ATOM 1310 CE2 TYR A 86 4.950 12.862 12.752 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.753 12.798 13.494 1.00 0.00 C ATOM 1312 OH TYR A 86 3.532 13.685 14.503 1.00 0.00 O ATOM 0 H TYR A 86 4.495 8.984 7.882 1.00 0.00 H new ATOM 0 HA TYR A 86 2.822 8.743 10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.154 9.276 10.518 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.990 10.634 9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.302 10.120 11.932 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.089 12.009 11.129 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.875 11.759 13.749 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.696 13.604 12.993 1.00 0.00 H new ATOM 0 HH TYR A 86 4.297 14.293 14.578 1.00 0.00 H new ATOM 1322 N SER A 87 0.888 9.816 9.117 1.00 0.00 N ATOM 1323 CA SER A 87 -0.353 10.545 8.795 1.00 0.00 C ATOM 1324 C SER A 87 -1.532 10.127 9.684 1.00 0.00 C ATOM 1325 O SER A 87 -1.572 9.014 10.214 1.00 0.00 O ATOM 1326 CB SER A 87 -0.767 10.300 7.335 1.00 0.00 C ATOM 1327 OG SER A 87 0.223 10.770 6.442 1.00 0.00 O ATOM 0 H SER A 87 0.717 8.838 9.351 1.00 0.00 H new ATOM 0 HA SER A 87 -0.130 11.598 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.931 9.235 7.174 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.713 10.802 7.132 1.00 0.00 H new ATOM 0 HG SER A 87 -0.077 11.608 6.032 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.541 11.003 9.790 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.885 10.683 10.303 1.00 0.00 C ATOM 1335 C ARG A 88 -4.668 9.836 9.288 1.00 0.00 C ATOM 1336 O ARG A 88 -4.331 9.859 8.104 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.621 12.008 10.598 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.043 12.764 11.810 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.270 12.041 13.145 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.708 11.944 13.474 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.322 11.031 14.205 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -5.681 10.058 14.789 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -7.614 11.078 14.353 1.00 0.00 N ATOM 0 H ARG A 88 -2.445 11.980 9.515 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.802 10.097 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.568 12.650 9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.676 11.799 10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.973 12.909 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.495 13.754 11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.839 11.041 13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.749 12.573 13.941 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.303 12.677 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.669 9.982 14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.192 9.372 15.345 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.152 11.820 13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.089 10.373 14.917 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.742 9.133 9.695 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.562 8.349 8.771 1.00 0.00 C ATOM 1359 C PRO A 89 -7.417 9.192 7.809 1.00 0.00 C ATOM 1360 O PRO A 89 -7.788 8.697 6.746 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.433 7.458 9.661 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.522 8.218 10.982 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.171 8.920 11.071 1.00 0.00 C ATOM 0 HA PRO A 89 -5.919 7.777 8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.419 7.302 9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.986 6.473 9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.347 8.930 10.982 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.682 7.545 11.824 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.257 9.867 11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.449 8.311 11.616 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.710 10.457 8.124 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.544 11.346 7.297 1.00 0.00 C ATOM 1373 C GLU A 90 -7.940 11.593 5.898 1.00 0.00 C ATOM 1374 O GLU A 90 -8.589 11.228 4.914 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.849 12.665 8.038 1.00 0.00 C ATOM 1376 CG GLU A 90 -10.027 12.566 9.019 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.769 11.599 10.191 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -8.838 11.850 10.997 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -10.512 10.596 10.318 1.00 0.00 O ATOM 0 H GLU A 90 -7.370 10.904 8.976 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.491 10.834 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.959 12.979 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.063 13.442 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.243 13.558 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.915 12.240 8.477 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.705 12.126 5.756 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.079 12.368 4.447 1.00 0.00 C ATOM 1388 C PRO A 91 -5.682 11.102 3.672 1.00 0.00 C ATOM 1389 O PRO A 91 -5.149 11.209 2.571 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.843 13.228 4.735 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.475 12.881 6.173 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.827 12.601 6.822 1.00 0.00 C ATOM 0 HA PRO A 91 -6.805 12.854 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.028 12.998 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.062 14.290 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.818 12.013 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.955 13.703 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.732 11.853 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.230 13.502 7.285 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.937 9.915 4.228 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.685 8.599 3.625 1.00 0.00 C ATOM 1402 C VAL A 92 -7.002 7.997 3.128 1.00 0.00 C ATOM 1403 O VAL A 92 -7.135 7.686 1.946 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.960 7.677 4.630 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.513 6.373 3.962 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.713 8.326 5.251 1.00 0.00 C ATOM 0 H VAL A 92 -6.346 9.839 5.159 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.027 8.710 2.763 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.690 7.484 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.006 5.744 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.384 5.846 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.830 6.599 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.249 7.628 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.003 8.578 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.001 9.232 5.783 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.015 7.875 3.993 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.329 7.315 3.634 1.00 0.00 C ATOM 1418 C LYS A 93 -10.108 8.202 2.656 1.00 0.00 C ATOM 1419 O LYS A 93 -10.671 7.704 1.685 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.165 7.021 4.897 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.971 5.719 4.723 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.304 5.650 5.484 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.170 5.592 7.009 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.084 6.927 7.656 1.00 0.00 N ATOM 0 H LYS A 93 -7.949 8.163 4.969 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.136 6.376 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.508 6.936 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.843 7.852 5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.173 5.578 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.348 4.883 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.903 6.521 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.853 4.771 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.025 5.055 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.280 5.017 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.081 6.812 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.208 7.402 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.903 7.503 7.374 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.128 9.515 2.900 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.930 10.487 2.150 1.00 0.00 C ATOM 1440 C ALA A 94 -10.375 10.833 0.756 1.00 0.00 C ATOM 1441 O ALA A 94 -11.017 11.577 0.010 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.086 11.753 2.994 1.00 0.00 C ATOM 0 H ALA A 94 -9.574 9.942 3.642 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.896 10.020 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.681 12.484 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.586 11.506 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.102 12.172 3.207 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.209 10.287 0.379 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.685 10.351 -0.997 1.00 0.00 C ATOM 1450 C ILE A 95 -9.740 9.848 -2.005 1.00 0.00 C ATOM 1451 O ILE A 95 -9.880 10.419 -3.089 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.359 9.562 -1.142 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.288 10.035 -0.135 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.779 9.710 -2.561 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.048 9.130 -0.071 1.00 0.00 C ATOM 0 H ILE A 95 -8.598 9.785 1.023 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.467 11.396 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.604 8.519 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.975 11.045 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.736 10.091 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.849 9.146 -2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.494 9.326 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.583 10.762 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.343 9.529 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.346 8.124 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.573 9.093 -1.052 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.531 8.833 -1.624 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.651 8.319 -2.414 1.00 0.00 C ATOM 1469 C CYS A 96 -13.028 8.644 -1.802 1.00 0.00 C ATOM 1470 O CYS A 96 -13.156 8.910 -0.603 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.457 6.814 -2.603 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.489 5.795 -1.110 1.00 0.00 S ATOM 0 H CYS A 96 -10.404 8.340 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.649 8.821 -3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.234 6.453 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.502 6.655 -3.103 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.073 8.585 -2.641 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.483 8.795 -2.273 1.00 0.00 C ATOM 1479 C LYS A 97 -16.412 8.076 -3.263 1.00 0.00 C ATOM 1480 O LYS A 97 -16.517 8.472 -4.423 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.785 10.310 -2.202 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.074 10.637 -1.429 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.879 10.540 0.096 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.131 10.960 0.881 1.00 0.00 C ATOM 1485 NZ LYS A 97 -19.214 9.942 0.819 1.00 0.00 N ATOM 0 H LYS A 97 -13.955 8.382 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.666 8.366 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.946 10.819 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.866 10.705 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.406 11.643 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.864 9.952 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.616 9.516 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.041 11.171 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.861 11.134 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.503 11.905 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.035 10.275 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.494 9.793 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.872 9.046 1.221 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.028 6.976 -2.827 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.938 6.155 -3.645 1.00 0.00 C ATOM 1501 C GLY A 98 -17.243 5.139 -4.563 1.00 0.00 C ATOM 1502 O GLY A 98 -17.909 4.489 -5.369 1.00 0.00 O ATOM 0 H GLY A 98 -16.910 6.620 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.616 5.619 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.550 6.817 -4.258 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.916 4.987 -4.460 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.112 4.081 -5.295 1.00 0.00 C ATOM 1508 C ILE A 99 -15.277 2.621 -4.839 1.00 0.00 C ATOM 1509 O ILE A 99 -14.875 2.244 -3.737 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.630 4.526 -5.346 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.535 5.948 -5.952 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.813 3.517 -6.178 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.113 6.492 -6.149 1.00 0.00 C ATOM 0 H ILE A 99 -15.358 5.502 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.485 4.137 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.219 4.552 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.041 5.947 -6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.082 6.636 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.770 3.833 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.878 2.530 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.212 3.473 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.162 7.493 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.603 6.535 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.562 5.835 -6.822 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.855 1.798 -5.717 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.015 0.333 -5.587 1.00 0.00 C ATOM 1527 C ILE A 100 -15.147 -0.413 -6.633 1.00 0.00 C ATOM 1528 O ILE A 100 -14.926 -1.619 -6.542 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.521 -0.059 -5.666 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.421 0.951 -4.907 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.755 -1.463 -5.084 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.911 0.594 -4.804 1.00 0.00 C ATOM 0 H ILE A 100 -16.249 2.148 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.655 0.022 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.790 -0.047 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.027 1.068 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.335 1.921 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.814 -1.713 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.174 -2.192 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.443 -1.481 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.435 1.375 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.335 0.510 -5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.022 -0.356 -4.282 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.584 0.319 -7.600 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.843 -0.168 -8.771 1.00 0.00 C ATOM 1546 C ALA A 101 -12.418 -0.705 -8.489 1.00 0.00 C ATOM 1547 O ALA A 101 -11.705 -1.062 -9.431 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.805 0.982 -9.790 1.00 0.00 C ATOM 0 H ALA A 101 -14.637 1.338 -7.585 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.369 -1.044 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.262 0.662 -10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.823 1.257 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.303 1.843 -9.348 1.00 0.00 H new ATOM 1554 N SER A 102 -11.986 -0.766 -7.222 1.00 0.00 N ATOM 1555 CA SER A 102 -10.622 -1.122 -6.792 1.00 0.00 C ATOM 1556 C SER A 102 -9.530 -0.267 -7.476 1.00 0.00 C ATOM 1557 O SER A 102 -8.726 -0.756 -8.277 1.00 0.00 O ATOM 1558 CB SER A 102 -10.400 -2.634 -6.934 1.00 0.00 C ATOM 1559 OG SER A 102 -9.365 -3.072 -6.072 1.00 0.00 O ATOM 0 H SER A 102 -12.601 -0.561 -6.434 1.00 0.00 H new ATOM 0 HA SER A 102 -10.526 -0.878 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.323 -3.165 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.146 -2.874 -7.966 1.00 0.00 H new ATOM 0 HG SER A 102 -9.728 -3.709 -5.422 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.511 1.042 -7.173 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.525 2.037 -7.650 1.00 0.00 C ATOM 1567 C LYS A 103 -8.442 3.239 -6.700 1.00 0.00 C ATOM 1568 O LYS A 103 -9.354 3.466 -5.914 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.924 2.488 -9.072 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.724 2.962 -9.908 1.00 0.00 C ATOM 1571 CD LYS A 103 -6.875 1.793 -10.445 1.00 0.00 C ATOM 1572 CE LYS A 103 -5.550 2.254 -11.073 1.00 0.00 C ATOM 1573 NZ LYS A 103 -5.747 3.047 -12.317 1.00 0.00 N ATOM 0 H LYS A 103 -10.213 1.458 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.536 1.579 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.414 1.661 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.652 3.296 -9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.083 3.560 -10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.096 3.612 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.663 1.100 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.452 1.244 -11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.999 2.854 -10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.936 1.381 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.822 3.332 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.248 2.469 -13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.309 3.895 -12.102 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.369 4.024 -6.740 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.298 5.360 -6.137 1.00 0.00 C ATOM 1589 C ASN A 104 -6.486 6.339 -7.011 1.00 0.00 C ATOM 1590 O ASN A 104 -6.121 6.020 -8.145 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.701 5.232 -4.722 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.363 6.131 -3.692 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.079 7.065 -4.006 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.129 5.866 -2.431 1.00 0.00 N ATOM 0 H ASN A 104 -6.503 3.747 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.303 5.777 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.787 4.196 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.637 5.466 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.548 6.444 -1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.528 5.082 -2.178 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.176 7.518 -6.467 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.276 8.522 -7.053 1.00 0.00 C ATOM 1603 C VAL A 105 -4.181 8.857 -6.035 1.00 0.00 C ATOM 1604 O VAL A 105 -4.456 8.966 -4.839 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.067 9.786 -7.465 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.188 10.786 -8.229 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.261 9.457 -8.374 1.00 0.00 C ATOM 0 H VAL A 105 -6.559 7.814 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.813 8.122 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.416 10.219 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.781 11.659 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.355 11.095 -7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.802 10.315 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.784 10.377 -8.635 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.904 8.972 -9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.944 8.788 -7.850 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.936 9.017 -6.494 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.811 9.529 -5.701 1.00 0.00 C ATOM 1619 C LEU A 106 -2.176 10.835 -4.963 1.00 0.00 C ATOM 1620 O LEU A 106 -2.834 11.715 -5.526 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.616 9.739 -6.658 1.00 0.00 C ATOM 1622 CG LEU A 106 0.683 10.271 -6.022 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.366 9.208 -5.175 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.646 10.737 -7.110 1.00 0.00 C ATOM 0 H LEU A 106 -2.674 8.788 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.550 8.808 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.395 8.788 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.923 10.433 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 106 0.414 11.108 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.278 9.618 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.695 8.893 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.615 8.350 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.561 11.111 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.886 9.901 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.180 11.533 -7.692 1.00 0.00 H new ATOM 1636 N THR A 107 -1.727 10.977 -3.712 1.00 0.00 N ATOM 1637 CA THR A 107 -1.896 12.218 -2.923 1.00 0.00 C ATOM 1638 C THR A 107 -1.194 13.445 -3.541 1.00 0.00 C ATOM 1639 O THR A 107 -0.422 13.339 -4.494 1.00 0.00 O ATOM 1640 CB THR A 107 -1.440 12.057 -1.455 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.778 10.844 -1.201 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.623 12.118 -0.492 1.00 0.00 C ATOM 0 H THR A 107 -1.234 10.238 -3.210 1.00 0.00 H new ATOM 0 HA THR A 107 -2.970 12.401 -2.943 1.00 0.00 H new ATOM 0 HB THR A 107 -0.750 12.886 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.233 10.369 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.266 12.001 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.125 13.080 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.324 11.316 -0.725 1.00 0.00 H new ATOM 1650 N THR A 108 -1.436 14.630 -2.969 1.00 0.00 N ATOM 1651 CA THR A 108 -0.875 15.923 -3.426 1.00 0.00 C ATOM 1652 C THR A 108 -0.070 16.668 -2.345 1.00 0.00 C ATOM 1653 O THR A 108 0.916 17.341 -2.656 1.00 0.00 O ATOM 1654 CB THR A 108 -1.988 16.799 -4.034 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.436 17.930 -4.672 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.028 17.292 -3.023 1.00 0.00 C ATOM 0 H THR A 108 -2.042 14.727 -2.154 1.00 0.00 H new ATOM 0 HA THR A 108 -0.145 15.696 -4.203 1.00 0.00 H new ATOM 0 HB THR A 108 -2.499 16.146 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.156 18.474 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.773 17.900 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.516 16.436 -2.557 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.535 17.891 -2.257 1.00 0.00 H new ATOM 1664 N SER A 109 -0.429 16.493 -1.067 1.00 0.00 N ATOM 1665 CA SER A 109 0.339 16.984 0.092 1.00 0.00 C ATOM 1666 C SER A 109 1.582 16.122 0.354 1.00 0.00 C ATOM 1667 O SER A 109 1.751 15.054 -0.236 1.00 0.00 O ATOM 1668 CB SER A 109 -0.551 17.019 1.343 1.00 0.00 C ATOM 1669 OG SER A 109 -1.571 17.996 1.201 1.00 0.00 O ATOM 0 H SER A 109 -1.279 15.996 -0.801 1.00 0.00 H new ATOM 0 HA SER A 109 0.676 17.995 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.999 16.039 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.055 17.242 2.221 1.00 0.00 H new ATOM 0 HG SER A 109 -2.130 18.004 2.006 1.00 0.00 H new ATOM 1675 N GLU A 110 2.471 16.577 1.241 1.00 0.00 N ATOM 1676 CA GLU A 110 3.772 15.945 1.498 1.00 0.00 C ATOM 1677 C GLU A 110 3.939 15.582 2.981 1.00 0.00 C ATOM 1678 O GLU A 110 4.121 16.443 3.843 1.00 0.00 O ATOM 1679 CB GLU A 110 4.919 16.807 0.943 1.00 0.00 C ATOM 1680 CG GLU A 110 4.674 17.159 -0.536 1.00 0.00 C ATOM 1681 CD GLU A 110 5.954 17.494 -1.319 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.734 18.380 -0.898 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.140 16.885 -2.402 1.00 0.00 O ATOM 0 H GLU A 110 2.307 17.407 1.810 1.00 0.00 H new ATOM 0 HA GLU A 110 3.811 14.999 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.008 17.722 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.863 16.271 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.173 16.321 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.995 18.010 -0.589 1.00 0.00 H new ATOM 1690 N PHE A 111 3.817 14.284 3.268 1.00 0.00 N ATOM 1691 CA PHE A 111 3.751 13.686 4.606 1.00 0.00 C ATOM 1692 C PHE A 111 5.110 13.102 5.010 1.00 0.00 C ATOM 1693 O PHE A 111 5.973 12.879 4.156 1.00 0.00 O ATOM 1694 CB PHE A 111 2.677 12.583 4.612 1.00 0.00 C ATOM 1695 CG PHE A 111 1.369 12.950 3.928 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.263 12.814 2.530 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.254 13.393 4.665 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.068 13.131 1.873 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.952 13.698 4.006 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.044 13.565 2.609 1.00 0.00 C ATOM 0 H PHE A 111 3.758 13.581 2.532 1.00 0.00 H new ATOM 0 HA PHE A 111 3.489 14.459 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.086 11.697 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.464 12.311 5.646 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.110 12.462 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.324 13.499 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.003 13.041 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.807 14.034 4.574 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.970 13.797 2.104 1.00 0.00 H new ATOM 1710 N TYR A 112 5.311 12.824 6.301 1.00 0.00 N ATOM 1711 CA TYR A 112 6.568 12.269 6.813 1.00 0.00 C ATOM 1712 C TYR A 112 6.695 10.786 6.429 1.00 0.00 C ATOM 1713 O TYR A 112 6.031 9.917 7.003 1.00 0.00 O ATOM 1714 CB TYR A 112 6.670 12.508 8.330 1.00 0.00 C ATOM 1715 CG TYR A 112 7.513 13.701 8.754 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.485 14.911 8.030 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.324 13.596 9.901 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.290 15.995 8.431 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.126 14.679 10.311 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.118 15.882 9.569 1.00 0.00 C ATOM 1721 OH TYR A 112 9.895 16.933 9.949 1.00 0.00 O ATOM 0 H TYR A 112 4.606 12.977 7.022 1.00 0.00 H new ATOM 0 HA TYR A 112 7.412 12.782 6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.663 12.638 8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.082 11.612 8.794 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.845 15.007 7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.331 12.678 10.470 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.274 16.915 7.866 1.00 0.00 H new ATOM 0 HE2 TYR A 112 9.746 14.590 11.191 1.00 0.00 H new ATOM 0 HH TYR A 112 10.403 16.691 10.752 1.00 0.00 H new ATOM 1731 N LEU A 113 7.539 10.510 5.431 1.00 0.00 N ATOM 1732 CA LEU A 113 7.821 9.167 4.912 1.00 0.00 C ATOM 1733 C LEU A 113 9.099 8.573 5.524 1.00 0.00 C ATOM 1734 O LEU A 113 10.156 9.208 5.574 1.00 0.00 O ATOM 1735 CB LEU A 113 7.868 9.205 3.371 1.00 0.00 C ATOM 1736 CG LEU A 113 6.656 8.544 2.691 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.616 7.036 2.908 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.317 9.155 3.100 1.00 0.00 C ATOM 0 H LEU A 113 8.062 11.239 4.946 1.00 0.00 H new ATOM 0 HA LEU A 113 7.013 8.499 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.933 10.243 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.777 8.708 3.033 1.00 0.00 H new ATOM 0 HG LEU A 113 6.800 8.743 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.742 6.619 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.519 6.585 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.559 6.823 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.508 8.639 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.183 9.050 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.303 10.212 2.834 1.00 0.00 H new ATOM 1750 N SER A 114 8.992 7.334 5.999 1.00 0.00 N ATOM 1751 CA SER A 114 10.027 6.630 6.759 1.00 0.00 C ATOM 1752 C SER A 114 10.179 5.190 6.265 1.00 0.00 C ATOM 1753 O SER A 114 9.405 4.304 6.625 1.00 0.00 O ATOM 1754 CB SER A 114 9.668 6.713 8.245 1.00 0.00 C ATOM 1755 OG SER A 114 10.609 6.035 9.059 1.00 0.00 O ATOM 0 H SER A 114 8.153 6.771 5.861 1.00 0.00 H new ATOM 0 HA SER A 114 11.000 7.099 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.615 7.759 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.678 6.285 8.403 1.00 0.00 H new ATOM 0 HG SER A 114 10.162 5.693 9.861 1.00 0.00 H new ATOM 1761 N ASP A 115 11.154 4.957 5.386 1.00 0.00 N ATOM 1762 CA ASP A 115 11.551 3.613 4.953 1.00 0.00 C ATOM 1763 C ASP A 115 12.715 3.061 5.798 1.00 0.00 C ATOM 1764 O ASP A 115 13.535 3.808 6.339 1.00 0.00 O ATOM 1765 CB ASP A 115 11.928 3.633 3.466 1.00 0.00 C ATOM 1766 CG ASP A 115 10.698 3.797 2.561 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.984 2.789 2.349 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.467 4.915 2.044 1.00 0.00 O ATOM 0 H ASP A 115 11.697 5.702 4.949 1.00 0.00 H new ATOM 0 HA ASP A 115 10.700 2.948 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.626 4.449 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.445 2.708 3.211 1.00 0.00 H new ATOM 1773 N CYS A 116 12.827 1.731 5.869 1.00 0.00 N ATOM 1774 CA CYS A 116 13.979 1.041 6.476 1.00 0.00 C ATOM 1775 C CYS A 116 14.327 -0.237 5.698 1.00 0.00 C ATOM 1776 O CYS A 116 13.659 -1.258 5.843 1.00 0.00 O ATOM 1777 CB CYS A 116 13.725 0.786 7.975 1.00 0.00 C ATOM 1778 SG CYS A 116 15.014 1.480 9.048 1.00 0.00 S ATOM 0 H CYS A 116 12.118 1.095 5.505 1.00 0.00 H new ATOM 0 HA CYS A 116 14.856 1.685 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.762 1.215 8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 116 13.657 -0.288 8.148 1.00 0.00 H new ATOM 1783 N ASN A 117 15.338 -0.166 4.825 1.00 0.00 N ATOM 1784 CA ASN A 117 15.790 -1.277 3.974 1.00 0.00 C ATOM 1785 C ASN A 117 16.812 -2.159 4.708 1.00 0.00 C ATOM 1786 O ASN A 117 17.760 -1.634 5.292 1.00 0.00 O ATOM 1787 CB ASN A 117 16.413 -0.704 2.689 1.00 0.00 C ATOM 1788 CG ASN A 117 15.395 -0.270 1.650 1.00 0.00 C ATOM 1789 OD1 ASN A 117 15.155 -0.955 0.669 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.787 0.886 1.808 1.00 0.00 N ATOM 0 H ASN A 117 15.880 0.687 4.686 1.00 0.00 H new ATOM 0 HA ASN A 117 14.931 -1.901 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.038 0.150 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.069 -1.455 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.116 1.209 1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.987 1.459 2.628 1.00 0.00 H new ATOM 1797 N VAL A 118 16.643 -3.486 4.658 1.00 0.00 N ATOM 1798 CA VAL A 118 17.561 -4.484 5.254 1.00 0.00 C ATOM 1799 C VAL A 118 18.992 -4.338 4.719 1.00 0.00 C ATOM 1800 O VAL A 118 19.202 -3.994 3.553 1.00 0.00 O ATOM 1801 CB VAL A 118 17.020 -5.913 5.005 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.031 -7.052 5.207 1.00 0.00 C ATOM 1803 CG2 VAL A 118 15.852 -6.209 5.944 1.00 0.00 C ATOM 0 H VAL A 118 15.844 -3.914 4.191 1.00 0.00 H new ATOM 0 HA VAL A 118 17.604 -4.302 6.328 1.00 0.00 H new ATOM 0 HB VAL A 118 16.738 -5.899 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.547 -8.008 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.870 -6.920 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.395 -7.038 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.482 -7.217 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.188 -6.131 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.052 -5.490 5.767 1.00 0.00 H new ATOM 1813 N THR A 119 19.983 -4.648 5.562 1.00 0.00 N ATOM 1814 CA THR A 119 21.421 -4.577 5.242 1.00 0.00 C ATOM 1815 C THR A 119 22.102 -5.942 5.404 1.00 0.00 C ATOM 1816 O THR A 119 22.471 -6.347 6.512 1.00 0.00 O ATOM 1817 CB THR A 119 22.138 -3.482 6.050 1.00 0.00 C ATOM 1818 OG1 THR A 119 22.010 -3.677 7.435 1.00 0.00 O ATOM 1819 CG2 THR A 119 21.566 -2.100 5.768 1.00 0.00 C ATOM 0 H THR A 119 19.806 -4.965 6.515 1.00 0.00 H new ATOM 0 HA THR A 119 21.501 -4.297 4.192 1.00 0.00 H new ATOM 0 HB THR A 119 23.182 -3.546 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 119 22.239 -4.604 7.657 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.101 -1.357 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.677 -1.869 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 119 20.509 -2.082 6.034 1.00 0.00 H new ATOM 1827 N SER A 120 22.237 -6.673 4.288 1.00 0.00 N ATOM 1828 CA SER A 120 22.924 -7.978 4.196 1.00 0.00 C ATOM 1829 C SER A 120 24.408 -7.899 4.595 1.00 0.00 C ATOM 1830 O SER A 120 24.873 -8.786 5.347 1.00 0.00 O ATOM 1831 CB SER A 120 22.770 -8.535 2.777 1.00 0.00 C ATOM 1832 OG SER A 120 23.065 -9.923 2.767 1.00 0.00 O ATOM 1833 OXT SER A 120 25.108 -6.962 4.142 1.00 0.00 O ATOM 0 H SER A 120 21.859 -6.365 3.392 1.00 0.00 H new ATOM 0 HA SER A 120 22.452 -8.653 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.754 -8.368 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.438 -8.008 2.096 1.00 0.00 H new ATOM 0 HG SER A 120 22.963 -10.273 1.857 1.00 0.00 H new TER 1839 SER A 120