USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 910 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 3 MET CE :methyl -139:sc= -0.482 (180deg=-2.21!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc=-0.00109 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0404 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -129:sc= -0.896 (180deg=-2.77!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 19 TYR OH : rot 180:sc= -1.97! USER MOD Single : A 21 SER OG : rot -18:sc= -0.132! USER MOD Single : A 22 SER OG : rot 180:sc= 0.113 USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -0.551 (180deg=-2.28!) USER MOD Single : A 26 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 27 THR OG1 : rot 77:sc= -4.25! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -30:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 15:sc= 0.431! USER MOD Single : A 45 MET CE :methyl 169:sc= -7.16! (180deg=-7.34!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -3.55 K(o=-3.6,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= 0.408 K(o=0.41,f=-0.74) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0303) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.7!) USER MOD Single : A 74 LYS NZ :NH3+ -108:sc= -1.45! (180deg=-1.72!) USER MOD Single : A 75 GLN : amide:sc= -8.43! C(o=-8.4!,f=-5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.64 X(o=-0.64,f=-1.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -8.2! C(o=-8.2!,f=-7.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 109 ASN : amide:sc= 0.0772 X(o=0.077,f=-0.00046) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.470 0.807 -7.757 1.00 60.24 N ATOM 2 CA GLY A 1 0.747 -0.640 -7.521 1.00 45.03 C ATOM 3 C GLY A 1 1.879 -1.099 -8.441 1.00 61.11 C ATOM 4 O GLY A 1 2.791 -0.351 -8.740 1.00 32.51 O ATOM 0 H1 GLY A 1 0.188 1.257 -6.863 1.00 60.24 H new ATOM 0 H2 GLY A 1 1.327 1.270 -8.122 1.00 60.24 H new ATOM 0 H3 GLY A 1 -0.298 0.905 -8.451 1.00 60.24 H new ATOM 0 HA2 GLY A 1 1.022 -0.803 -6.479 1.00 45.03 H new ATOM 0 HA3 GLY A 1 -0.151 -1.229 -7.710 1.00 45.03 H new ATOM 8 N SER A 2 1.832 -2.322 -8.893 1.00 40.41 N ATOM 9 CA SER A 2 2.906 -2.825 -9.794 1.00 30.41 C ATOM 10 C SER A 2 2.706 -4.316 -10.082 1.00 13.20 C ATOM 11 O SER A 2 2.479 -5.105 -9.184 1.00 23.42 O ATOM 12 CB SER A 2 4.207 -2.597 -9.026 1.00 72.22 C ATOM 13 OG SER A 2 5.121 -1.889 -9.852 1.00 60.24 O ATOM 0 H SER A 2 1.096 -2.994 -8.677 1.00 40.41 H new ATOM 0 HA SER A 2 2.906 -2.315 -10.757 1.00 30.41 H new ATOM 0 HB2 SER A 2 4.011 -2.033 -8.114 1.00 72.22 H new ATOM 0 HB3 SER A 2 4.637 -3.552 -8.724 1.00 72.22 H new ATOM 0 HG SER A 2 5.956 -1.739 -9.362 1.00 60.24 H new ATOM 19 N MET A 3 2.788 -4.708 -11.324 1.00 34.42 N ATOM 20 CA MET A 3 2.602 -6.147 -11.666 1.00 74.31 C ATOM 21 C MET A 3 3.596 -6.571 -12.753 1.00 34.10 C ATOM 22 O MET A 3 3.208 -7.090 -13.780 1.00 15.13 O ATOM 23 CB MET A 3 1.166 -6.242 -12.184 1.00 71.51 C ATOM 24 CG MET A 3 0.861 -7.683 -12.598 1.00 51.13 C ATOM 25 SD MET A 3 -0.100 -8.492 -11.293 1.00 0.01 S ATOM 26 CE MET A 3 1.300 -8.971 -10.249 1.00 31.23 C ATOM 0 H MET A 3 2.976 -4.094 -12.117 1.00 34.42 H new ATOM 0 HA MET A 3 2.775 -6.801 -10.811 1.00 74.31 H new ATOM 0 HB2 MET A 3 0.468 -5.920 -11.411 1.00 71.51 H new ATOM 0 HB3 MET A 3 1.031 -5.573 -13.034 1.00 71.51 H new ATOM 0 HG2 MET A 3 0.304 -7.694 -13.535 1.00 51.13 H new ATOM 0 HG3 MET A 3 1.789 -8.227 -12.772 1.00 51.13 H new ATOM 0 HE1 MET A 3 1.138 -9.977 -9.862 1.00 31.23 H new ATOM 0 HE2 MET A 3 2.217 -8.953 -10.839 1.00 31.23 H new ATOM 0 HE3 MET A 3 1.390 -8.272 -9.417 1.00 31.23 H new ATOM 36 N PRO A 4 4.854 -6.339 -12.489 1.00 20.24 N ATOM 37 CA PRO A 4 5.911 -6.706 -13.456 1.00 3.21 C ATOM 38 C PRO A 4 6.229 -8.199 -13.344 1.00 63.52 C ATOM 39 O PRO A 4 5.476 -8.962 -12.772 1.00 41.43 O ATOM 40 CB PRO A 4 7.103 -5.865 -13.019 1.00 13.30 C ATOM 41 CG PRO A 4 6.882 -5.585 -11.563 1.00 73.11 C ATOM 42 CD PRO A 4 5.404 -5.715 -11.281 1.00 40.41 C ATOM 0 HA PRO A 4 5.629 -6.527 -14.494 1.00 3.21 H new ATOM 0 HB2 PRO A 4 8.040 -6.399 -13.178 1.00 13.30 H new ATOM 0 HB3 PRO A 4 7.162 -4.940 -13.592 1.00 13.30 H new ATOM 0 HG2 PRO A 4 7.450 -6.285 -10.950 1.00 73.11 H new ATOM 0 HG3 PRO A 4 7.231 -4.584 -11.310 1.00 73.11 H new ATOM 0 HD2 PRO A 4 5.221 -6.328 -10.399 1.00 40.41 H new ATOM 0 HD3 PRO A 4 4.948 -4.743 -11.094 1.00 40.41 H new ATOM 50 N LYS A 5 7.339 -8.620 -13.881 1.00 21.32 N ATOM 51 CA LYS A 5 7.706 -10.063 -13.797 1.00 3.22 C ATOM 52 C LYS A 5 8.741 -10.279 -12.692 1.00 63.13 C ATOM 53 O LYS A 5 9.895 -9.932 -12.845 1.00 35.11 O ATOM 54 CB LYS A 5 8.301 -10.398 -15.166 1.00 61.23 C ATOM 55 CG LYS A 5 8.725 -11.870 -15.198 1.00 54.50 C ATOM 56 CD LYS A 5 8.448 -12.448 -16.586 1.00 11.11 C ATOM 57 CE LYS A 5 6.969 -12.273 -16.929 1.00 70.23 C ATOM 58 NZ LYS A 5 6.431 -13.656 -17.034 1.00 22.15 N ATOM 0 H LYS A 5 8.008 -8.029 -14.374 1.00 21.32 H new ATOM 0 HA LYS A 5 6.851 -10.696 -13.559 1.00 3.22 H new ATOM 0 HB2 LYS A 5 7.568 -10.203 -15.949 1.00 61.23 H new ATOM 0 HB3 LYS A 5 9.160 -9.758 -15.367 1.00 61.23 H new ATOM 0 HG2 LYS A 5 9.785 -11.960 -14.959 1.00 54.50 H new ATOM 0 HG3 LYS A 5 8.179 -12.434 -14.442 1.00 54.50 H new ATOM 0 HD2 LYS A 5 9.066 -11.946 -17.330 1.00 11.11 H new ATOM 0 HD3 LYS A 5 8.715 -13.505 -16.611 1.00 11.11 H new ATOM 0 HE2 LYS A 5 6.450 -11.705 -16.157 1.00 70.23 H new ATOM 0 HE3 LYS A 5 6.843 -11.728 -17.865 1.00 70.23 H new ATOM 0 HZ1 LYS A 5 5.418 -13.618 -17.268 1.00 22.15 H new ATOM 0 HZ2 LYS A 5 6.940 -14.171 -17.781 1.00 22.15 H new ATOM 0 HZ3 LYS A 5 6.558 -14.148 -16.127 1.00 22.15 H new ATOM 72 N PRO A 6 8.287 -10.848 -11.610 1.00 12.24 N ATOM 73 CA PRO A 6 9.181 -11.121 -10.458 1.00 73.32 C ATOM 74 C PRO A 6 10.166 -12.238 -10.809 1.00 74.21 C ATOM 75 O PRO A 6 10.372 -12.556 -11.962 1.00 0.23 O ATOM 76 CB PRO A 6 8.222 -11.557 -9.353 1.00 25.03 C ATOM 77 CG PRO A 6 7.019 -12.075 -10.072 1.00 1.23 C ATOM 78 CD PRO A 6 6.912 -11.294 -11.357 1.00 15.23 C ATOM 0 HA PRO A 6 9.787 -10.263 -10.167 1.00 73.32 H new ATOM 0 HB2 PRO A 6 8.668 -12.327 -8.723 1.00 25.03 H new ATOM 0 HB3 PRO A 6 7.964 -10.722 -8.701 1.00 25.03 H new ATOM 0 HG2 PRO A 6 7.119 -13.141 -10.275 1.00 1.23 H new ATOM 0 HG3 PRO A 6 6.122 -11.948 -9.466 1.00 1.23 H new ATOM 0 HD2 PRO A 6 6.536 -11.913 -12.171 1.00 15.23 H new ATOM 0 HD3 PRO A 6 6.230 -10.450 -11.257 1.00 15.23 H new ATOM 86 N GLY A 7 10.777 -12.838 -9.824 1.00 43.42 N ATOM 87 CA GLY A 7 11.746 -13.931 -10.115 1.00 21.45 C ATOM 88 C GLY A 7 11.704 -14.975 -8.999 1.00 73.14 C ATOM 89 O GLY A 7 12.331 -14.822 -7.967 1.00 41.25 O ATOM 0 H GLY A 7 10.648 -12.620 -8.836 1.00 43.42 H new ATOM 0 HA2 GLY A 7 11.505 -14.397 -11.070 1.00 21.45 H new ATOM 0 HA3 GLY A 7 12.752 -13.522 -10.205 1.00 21.45 H new ATOM 93 N ILE A 8 10.977 -16.040 -9.196 1.00 5.12 N ATOM 94 CA ILE A 8 10.909 -17.098 -8.147 1.00 2.10 C ATOM 95 C ILE A 8 12.258 -17.813 -8.048 1.00 63.23 C ATOM 96 O ILE A 8 13.058 -17.773 -8.961 1.00 24.12 O ATOM 97 CB ILE A 8 9.818 -18.058 -8.623 1.00 1.31 C ATOM 98 CG1 ILE A 8 8.548 -17.268 -8.943 1.00 1.15 C ATOM 99 CG2 ILE A 8 9.519 -19.079 -7.523 1.00 0.14 C ATOM 100 CD1 ILE A 8 8.133 -17.529 -10.392 1.00 21.31 C ATOM 0 H ILE A 8 10.428 -16.224 -10.036 1.00 5.12 H new ATOM 0 HA ILE A 8 10.686 -16.697 -7.158 1.00 2.10 H new ATOM 0 HB ILE A 8 10.159 -18.578 -9.518 1.00 1.31 H new ATOM 0 HG12 ILE A 8 7.745 -17.560 -8.266 1.00 1.15 H new ATOM 0 HG13 ILE A 8 8.722 -16.203 -8.790 1.00 1.15 H new ATOM 0 HG21 ILE A 8 8.741 -19.763 -7.863 1.00 0.14 H new ATOM 0 HG22 ILE A 8 10.423 -19.643 -7.294 1.00 0.14 H new ATOM 0 HG23 ILE A 8 9.179 -18.560 -6.627 1.00 0.14 H new ATOM 0 HD11 ILE A 8 7.228 -16.965 -10.618 1.00 21.31 H new ATOM 0 HD12 ILE A 8 8.933 -17.215 -11.062 1.00 21.31 H new ATOM 0 HD13 ILE A 8 7.942 -18.593 -10.530 1.00 21.31 H new ATOM 112 N LEU A 9 12.521 -18.464 -6.950 1.00 61.41 N ATOM 113 CA LEU A 9 13.826 -19.173 -6.808 1.00 62.43 C ATOM 114 C LEU A 9 13.799 -20.113 -5.600 1.00 13.24 C ATOM 115 O LEU A 9 14.800 -20.312 -4.937 1.00 14.22 O ATOM 116 CB LEU A 9 14.854 -18.063 -6.603 1.00 50.40 C ATOM 117 CG LEU A 9 16.261 -18.628 -6.807 1.00 13.11 C ATOM 118 CD1 LEU A 9 16.554 -18.745 -8.304 1.00 21.21 C ATOM 119 CD2 LEU A 9 17.283 -17.692 -6.158 1.00 73.21 C ATOM 0 H LEU A 9 11.894 -18.537 -6.149 1.00 61.41 H new ATOM 0 HA LEU A 9 14.056 -19.790 -7.677 1.00 62.43 H new ATOM 0 HB2 LEU A 9 14.672 -17.249 -7.305 1.00 50.40 H new ATOM 0 HB3 LEU A 9 14.760 -17.646 -5.600 1.00 50.40 H new ATOM 0 HG LEU A 9 16.327 -19.614 -6.348 1.00 13.11 H new ATOM 0 HD11 LEU A 9 17.557 -19.148 -8.448 1.00 21.21 H new ATOM 0 HD12 LEU A 9 15.826 -19.411 -8.766 1.00 21.21 H new ATOM 0 HD13 LEU A 9 16.489 -17.760 -8.766 1.00 21.21 H new ATOM 0 HD21 LEU A 9 18.286 -18.093 -6.302 1.00 73.21 H new ATOM 0 HD22 LEU A 9 17.217 -16.706 -6.618 1.00 73.21 H new ATOM 0 HD23 LEU A 9 17.075 -17.610 -5.091 1.00 73.21 H new ATOM 131 N LYS A 10 12.670 -20.696 -5.310 1.00 10.52 N ATOM 132 CA LYS A 10 12.591 -21.624 -4.148 1.00 5.21 C ATOM 133 C LYS A 10 12.012 -22.975 -4.598 1.00 61.35 C ATOM 134 O LYS A 10 12.476 -23.562 -5.556 1.00 64.32 O ATOM 135 CB LYS A 10 11.673 -20.927 -3.142 1.00 32.30 C ATOM 136 CG LYS A 10 10.362 -20.536 -3.825 1.00 70.41 C ATOM 137 CD LYS A 10 10.311 -19.016 -3.999 1.00 31.22 C ATOM 138 CE LYS A 10 10.195 -18.348 -2.626 1.00 73.01 C ATOM 139 NZ LYS A 10 10.685 -16.956 -2.832 1.00 31.42 N ATOM 0 H LYS A 10 11.799 -20.570 -5.827 1.00 10.52 H new ATOM 0 HA LYS A 10 13.566 -21.835 -3.709 1.00 5.21 H new ATOM 0 HB2 LYS A 10 11.472 -21.589 -2.299 1.00 32.30 H new ATOM 0 HB3 LYS A 10 12.164 -20.040 -2.741 1.00 32.30 H new ATOM 0 HG2 LYS A 10 10.285 -21.027 -4.795 1.00 70.41 H new ATOM 0 HG3 LYS A 10 9.514 -20.873 -3.229 1.00 70.41 H new ATOM 0 HD2 LYS A 10 11.209 -18.668 -4.510 1.00 31.22 H new ATOM 0 HD3 LYS A 10 9.461 -18.739 -4.623 1.00 31.22 H new ATOM 0 HE2 LYS A 10 9.165 -18.355 -2.269 1.00 73.01 H new ATOM 0 HE3 LYS A 10 10.794 -18.871 -1.881 1.00 73.01 H new ATOM 0 HZ1 LYS A 10 10.636 -16.434 -1.934 1.00 31.42 H new ATOM 0 HZ2 LYS A 10 11.670 -16.980 -3.165 1.00 31.42 H new ATOM 0 HZ3 LYS A 10 10.092 -16.480 -3.541 1.00 31.42 H new ATOM 153 N SER A 11 11.012 -23.477 -3.925 1.00 34.02 N ATOM 154 CA SER A 11 10.431 -24.789 -4.337 1.00 60.12 C ATOM 155 C SER A 11 8.993 -24.610 -4.836 1.00 62.42 C ATOM 156 O SER A 11 8.146 -24.089 -4.139 1.00 23.31 O ATOM 157 CB SER A 11 10.457 -25.648 -3.075 1.00 13.41 C ATOM 158 OG SER A 11 10.892 -26.959 -3.409 1.00 51.42 O ATOM 0 H SER A 11 10.574 -23.040 -3.114 1.00 34.02 H new ATOM 0 HA SER A 11 10.991 -25.244 -5.154 1.00 60.12 H new ATOM 0 HB2 SER A 11 11.126 -25.208 -2.335 1.00 13.41 H new ATOM 0 HB3 SER A 11 9.465 -25.685 -2.626 1.00 13.41 H new ATOM 0 HG SER A 11 10.912 -27.513 -2.601 1.00 51.42 H new ATOM 164 N LYS A 12 8.712 -25.050 -6.030 1.00 61.24 N ATOM 165 CA LYS A 12 7.331 -24.915 -6.574 1.00 34.33 C ATOM 166 C LYS A 12 6.581 -26.242 -6.417 1.00 3.12 C ATOM 167 O LYS A 12 6.639 -26.877 -5.382 1.00 4.21 O ATOM 168 CB LYS A 12 7.516 -24.571 -8.053 1.00 21.44 C ATOM 169 CG LYS A 12 8.489 -23.399 -8.191 1.00 62.24 C ATOM 170 CD LYS A 12 9.020 -23.346 -9.625 1.00 13.34 C ATOM 171 CE LYS A 12 7.883 -22.967 -10.578 1.00 52.25 C ATOM 172 NZ LYS A 12 7.290 -24.266 -11.004 1.00 40.50 N ATOM 0 H LYS A 12 9.381 -25.499 -6.655 1.00 61.24 H new ATOM 0 HA LYS A 12 6.750 -24.153 -6.054 1.00 34.33 H new ATOM 0 HB2 LYS A 12 7.897 -25.438 -8.593 1.00 21.44 H new ATOM 0 HB3 LYS A 12 6.556 -24.314 -8.499 1.00 21.44 H new ATOM 0 HG2 LYS A 12 7.987 -22.464 -7.943 1.00 62.24 H new ATOM 0 HG3 LYS A 12 9.315 -23.513 -7.489 1.00 62.24 H new ATOM 0 HD2 LYS A 12 9.828 -22.618 -9.698 1.00 13.34 H new ATOM 0 HD3 LYS A 12 9.437 -24.313 -9.906 1.00 13.34 H new ATOM 0 HE2 LYS A 12 7.143 -22.339 -10.081 1.00 52.25 H new ATOM 0 HE3 LYS A 12 8.256 -22.404 -11.433 1.00 52.25 H new ATOM 0 HZ1 LYS A 12 7.227 -24.295 -12.042 1.00 40.50 H new ATOM 0 HZ2 LYS A 12 7.890 -25.047 -10.672 1.00 40.50 H new ATOM 0 HZ3 LYS A 12 6.338 -24.363 -10.596 1.00 40.50 H new ATOM 186 N SER A 13 5.876 -26.671 -7.431 1.00 2.31 N ATOM 187 CA SER A 13 5.130 -27.959 -7.327 1.00 50.10 C ATOM 188 C SER A 13 4.145 -27.908 -6.155 1.00 11.41 C ATOM 189 O SER A 13 3.484 -26.914 -5.932 1.00 71.02 O ATOM 190 CB SER A 13 6.207 -29.016 -7.084 1.00 52.12 C ATOM 191 OG SER A 13 7.257 -28.845 -8.025 1.00 63.35 O ATOM 0 H SER A 13 5.785 -26.187 -8.324 1.00 2.31 H new ATOM 0 HA SER A 13 4.543 -28.173 -8.220 1.00 50.10 H new ATOM 0 HB2 SER A 13 6.595 -28.929 -6.069 1.00 52.12 H new ATOM 0 HB3 SER A 13 5.780 -30.014 -7.177 1.00 52.12 H new ATOM 0 HG SER A 13 7.949 -29.521 -7.869 1.00 63.35 H new ATOM 197 N MET A 14 4.040 -28.974 -5.405 1.00 42.42 N ATOM 198 CA MET A 14 3.095 -28.988 -4.248 1.00 64.40 C ATOM 199 C MET A 14 1.647 -29.017 -4.743 1.00 2.30 C ATOM 200 O MET A 14 1.384 -29.024 -5.929 1.00 11.22 O ATOM 201 CB MET A 14 3.373 -27.692 -3.481 1.00 31.42 C ATOM 202 CG MET A 14 3.518 -27.997 -1.989 1.00 22.02 C ATOM 203 SD MET A 14 2.885 -26.599 -1.028 1.00 54.02 S ATOM 204 CE MET A 14 2.067 -27.562 0.268 1.00 32.51 C ATOM 0 H MET A 14 4.568 -29.836 -5.543 1.00 42.42 H new ATOM 0 HA MET A 14 3.234 -29.868 -3.620 1.00 64.40 H new ATOM 0 HB2 MET A 14 4.283 -27.224 -3.856 1.00 31.42 H new ATOM 0 HB3 MET A 14 2.561 -26.983 -3.640 1.00 31.42 H new ATOM 0 HG2 MET A 14 2.970 -28.905 -1.737 1.00 22.02 H new ATOM 0 HG3 MET A 14 4.564 -28.178 -1.743 1.00 22.02 H new ATOM 0 HE1 MET A 14 1.600 -26.886 0.984 1.00 32.51 H new ATOM 0 HE2 MET A 14 1.305 -28.200 -0.179 1.00 32.51 H new ATOM 0 HE3 MET A 14 2.803 -28.181 0.781 1.00 32.51 H new ATOM 214 N PHE A 15 0.705 -29.034 -3.840 1.00 31.45 N ATOM 215 CA PHE A 15 -0.727 -29.064 -4.251 1.00 10.33 C ATOM 216 C PHE A 15 -1.389 -27.709 -3.957 1.00 74.20 C ATOM 217 O PHE A 15 -1.084 -27.061 -2.974 1.00 41.33 O ATOM 218 CB PHE A 15 -1.348 -30.178 -3.401 1.00 14.01 C ATOM 219 CG PHE A 15 -2.839 -29.957 -3.264 1.00 54.35 C ATOM 220 CD1 PHE A 15 -3.325 -29.083 -2.287 1.00 5.22 C ATOM 221 CD2 PHE A 15 -3.727 -30.623 -4.116 1.00 4.24 C ATOM 222 CE1 PHE A 15 -4.702 -28.875 -2.159 1.00 23.23 C ATOM 223 CE2 PHE A 15 -5.106 -30.414 -3.987 1.00 21.13 C ATOM 224 CZ PHE A 15 -5.591 -29.539 -3.009 1.00 11.14 C ATOM 0 H PHE A 15 0.866 -29.028 -2.833 1.00 31.45 H new ATOM 0 HA PHE A 15 -0.857 -29.247 -5.318 1.00 10.33 H new ATOM 0 HB2 PHE A 15 -1.157 -31.147 -3.862 1.00 14.01 H new ATOM 0 HB3 PHE A 15 -0.883 -30.196 -2.415 1.00 14.01 H new ATOM 0 HD1 PHE A 15 -2.638 -28.569 -1.632 1.00 5.22 H new ATOM 0 HD2 PHE A 15 -3.350 -31.297 -4.871 1.00 4.24 H new ATOM 0 HE1 PHE A 15 -5.078 -28.201 -1.403 1.00 23.23 H new ATOM 0 HE2 PHE A 15 -5.794 -30.928 -4.642 1.00 21.13 H new ATOM 0 HZ PHE A 15 -6.654 -29.376 -2.911 1.00 11.14 H new ATOM 234 N CYS A 16 -2.297 -27.286 -4.794 1.00 62.03 N ATOM 235 CA CYS A 16 -2.984 -25.982 -4.557 1.00 10.35 C ATOM 236 C CYS A 16 -4.474 -26.114 -4.882 1.00 23.41 C ATOM 237 O CYS A 16 -4.883 -26.994 -5.615 1.00 1.10 O ATOM 238 CB CYS A 16 -2.313 -24.988 -5.506 1.00 32.42 C ATOM 239 SG CYS A 16 -0.515 -25.126 -5.354 1.00 64.15 S ATOM 0 H CYS A 16 -2.594 -27.786 -5.632 1.00 62.03 H new ATOM 0 HA CYS A 16 -2.906 -25.658 -3.519 1.00 10.35 H new ATOM 0 HB2 CYS A 16 -2.618 -25.187 -6.533 1.00 32.42 H new ATOM 0 HB3 CYS A 16 -2.631 -23.973 -5.270 1.00 32.42 H new ATOM 0 HG CYS A 16 0.055 -24.282 -6.162 1.00 64.15 H new ATOM 245 N VAL A 17 -5.293 -25.254 -4.341 1.00 40.25 N ATOM 246 CA VAL A 17 -6.756 -25.345 -4.622 1.00 53.13 C ATOM 247 C VAL A 17 -7.242 -24.083 -5.338 1.00 44.12 C ATOM 248 O VAL A 17 -6.986 -22.975 -4.910 1.00 50.33 O ATOM 249 CB VAL A 17 -7.432 -25.467 -3.255 1.00 30.33 C ATOM 250 CG1 VAL A 17 -8.826 -26.070 -3.432 1.00 75.03 C ATOM 251 CG2 VAL A 17 -6.603 -26.373 -2.340 1.00 34.00 C ATOM 0 H VAL A 17 -5.015 -24.495 -3.719 1.00 40.25 H new ATOM 0 HA VAL A 17 -6.988 -26.192 -5.267 1.00 53.13 H new ATOM 0 HB VAL A 17 -7.510 -24.477 -2.805 1.00 30.33 H new ATOM 0 HG11 VAL A 17 -9.310 -26.158 -2.460 1.00 75.03 H new ATOM 0 HG12 VAL A 17 -9.422 -25.425 -4.077 1.00 75.03 H new ATOM 0 HG13 VAL A 17 -8.740 -27.057 -3.886 1.00 75.03 H new ATOM 0 HG21 VAL A 17 -7.091 -26.454 -1.369 1.00 34.00 H new ATOM 0 HG22 VAL A 17 -6.519 -27.363 -2.788 1.00 34.00 H new ATOM 0 HG23 VAL A 17 -5.608 -25.947 -2.211 1.00 34.00 H new ATOM 261 N ILE A 18 -7.949 -24.247 -6.422 1.00 12.32 N ATOM 262 CA ILE A 18 -8.463 -23.060 -7.164 1.00 52.40 C ATOM 263 C ILE A 18 -9.937 -22.824 -6.824 1.00 60.20 C ATOM 264 O ILE A 18 -10.803 -23.576 -7.223 1.00 1.51 O ATOM 265 CB ILE A 18 -8.301 -23.415 -8.643 1.00 63.22 C ATOM 266 CG1 ILE A 18 -6.831 -23.269 -9.043 1.00 42.51 C ATOM 267 CG2 ILE A 18 -9.151 -22.471 -9.494 1.00 21.15 C ATOM 268 CD1 ILE A 18 -6.224 -24.655 -9.272 1.00 0.45 C ATOM 0 H ILE A 18 -8.193 -25.151 -6.826 1.00 12.32 H new ATOM 0 HA ILE A 18 -7.928 -22.146 -6.906 1.00 52.40 H new ATOM 0 HB ILE A 18 -8.626 -24.443 -8.805 1.00 63.22 H new ATOM 0 HG12 ILE A 18 -6.748 -22.670 -9.950 1.00 42.51 H new ATOM 0 HG13 ILE A 18 -6.281 -22.744 -8.262 1.00 42.51 H new ATOM 0 HG21 ILE A 18 -9.034 -22.726 -10.547 1.00 21.15 H new ATOM 0 HG22 ILE A 18 -10.199 -22.570 -9.211 1.00 21.15 H new ATOM 0 HG23 ILE A 18 -8.827 -21.443 -9.331 1.00 21.15 H new ATOM 0 HD11 ILE A 18 -5.177 -24.551 -9.557 1.00 0.45 H new ATOM 0 HD12 ILE A 18 -6.294 -25.239 -8.354 1.00 0.45 H new ATOM 0 HD13 ILE A 18 -6.768 -25.163 -10.068 1.00 0.45 H new ATOM 280 N TYR A 19 -10.225 -21.789 -6.086 1.00 23.21 N ATOM 281 CA TYR A 19 -11.642 -21.506 -5.718 1.00 15.31 C ATOM 282 C TYR A 19 -12.296 -20.613 -6.768 1.00 14.44 C ATOM 283 O TYR A 19 -11.631 -20.010 -7.587 1.00 14.24 O ATOM 284 CB TYR A 19 -11.566 -20.762 -4.385 1.00 62.32 C ATOM 285 CG TYR A 19 -11.377 -21.750 -3.260 1.00 11.35 C ATOM 286 CD1 TYR A 19 -10.091 -22.173 -2.908 1.00 1.51 C ATOM 287 CD2 TYR A 19 -12.491 -22.241 -2.564 1.00 21.24 C ATOM 288 CE1 TYR A 19 -9.915 -23.085 -1.862 1.00 34.30 C ATOM 289 CE2 TYR A 19 -12.313 -23.153 -1.519 1.00 32.05 C ATOM 290 CZ TYR A 19 -11.026 -23.575 -1.166 1.00 65.12 C ATOM 291 OH TYR A 19 -10.853 -24.473 -0.132 1.00 25.01 O ATOM 0 H TYR A 19 -9.541 -21.126 -5.721 1.00 23.21 H new ATOM 0 HA TYR A 19 -12.233 -22.419 -5.653 1.00 15.31 H new ATOM 0 HB2 TYR A 19 -10.739 -20.052 -4.401 1.00 62.32 H new ATOM 0 HB3 TYR A 19 -12.478 -20.186 -4.227 1.00 62.32 H new ATOM 0 HD1 TYR A 19 -9.233 -21.795 -3.444 1.00 1.51 H new ATOM 0 HD2 TYR A 19 -13.485 -21.915 -2.835 1.00 21.24 H new ATOM 0 HE1 TYR A 19 -8.922 -23.411 -1.591 1.00 34.30 H new ATOM 0 HE2 TYR A 19 -13.170 -23.533 -0.983 1.00 32.05 H new ATOM 0 HH TYR A 19 -11.726 -24.711 0.244 1.00 25.01 H new ATOM 301 N ARG A 20 -13.594 -20.512 -6.741 1.00 42.20 N ATOM 302 CA ARG A 20 -14.291 -19.643 -7.726 1.00 21.31 C ATOM 303 C ARG A 20 -15.253 -18.707 -6.995 1.00 13.11 C ATOM 304 O ARG A 20 -15.852 -19.066 -6.000 1.00 40.53 O ATOM 305 CB ARG A 20 -15.045 -20.598 -8.654 1.00 61.40 C ATOM 306 CG ARG A 20 -16.271 -21.178 -7.942 1.00 10.54 C ATOM 307 CD ARG A 20 -17.268 -21.673 -8.986 1.00 23.21 C ATOM 308 NE ARG A 20 -18.362 -20.662 -8.982 1.00 32.41 N ATOM 309 CZ ARG A 20 -18.612 -19.965 -10.057 1.00 53.33 C ATOM 310 NH1 ARG A 20 -18.593 -20.545 -11.227 1.00 0.12 N ATOM 311 NH2 ARG A 20 -18.881 -18.694 -9.965 1.00 74.11 N ATOM 0 H ARG A 20 -14.202 -20.994 -6.079 1.00 42.20 H new ATOM 0 HA ARG A 20 -13.602 -19.014 -8.290 1.00 21.31 H new ATOM 0 HB2 ARG A 20 -15.356 -20.070 -9.555 1.00 61.40 H new ATOM 0 HB3 ARG A 20 -14.384 -21.405 -8.970 1.00 61.40 H new ATOM 0 HG2 ARG A 20 -15.973 -21.998 -7.288 1.00 10.54 H new ATOM 0 HG3 ARG A 20 -16.733 -20.419 -7.311 1.00 10.54 H new ATOM 0 HD2 ARG A 20 -16.805 -21.750 -9.970 1.00 23.21 H new ATOM 0 HD3 ARG A 20 -17.645 -22.664 -8.733 1.00 23.21 H new ATOM 0 HE ARG A 20 -18.916 -20.514 -8.139 1.00 32.41 H new ATOM 0 HH11 ARG A 20 -18.383 -21.541 -11.299 1.00 0.12 H new ATOM 0 HH12 ARG A 20 -18.788 -20.002 -12.068 1.00 0.12 H new ATOM 0 HH21 ARG A 20 -18.897 -18.241 -9.051 1.00 74.11 H new ATOM 0 HH22 ARG A 20 -19.076 -18.152 -10.807 1.00 74.11 H new ATOM 325 N SER A 21 -15.397 -17.507 -7.473 1.00 32.51 N ATOM 326 CA SER A 21 -16.312 -16.539 -6.803 1.00 43.01 C ATOM 327 C SER A 21 -17.768 -16.972 -6.973 1.00 63.42 C ATOM 328 O SER A 21 -18.183 -17.400 -8.032 1.00 41.43 O ATOM 329 CB SER A 21 -16.056 -15.207 -7.499 1.00 50.11 C ATOM 330 OG SER A 21 -14.786 -14.709 -7.102 1.00 65.01 O ATOM 0 H SER A 21 -14.920 -17.150 -8.301 1.00 32.51 H new ATOM 0 HA SER A 21 -16.132 -16.477 -5.730 1.00 43.01 H new ATOM 0 HB2 SER A 21 -16.087 -15.336 -8.581 1.00 50.11 H new ATOM 0 HB3 SER A 21 -16.837 -14.492 -7.241 1.00 50.11 H new ATOM 0 HG SER A 21 -14.500 -15.160 -6.280 1.00 65.01 H new ATOM 336 N SER A 22 -18.548 -16.870 -5.931 1.00 13.51 N ATOM 337 CA SER A 22 -19.977 -17.274 -6.019 1.00 4.12 C ATOM 338 C SER A 22 -20.667 -16.565 -7.187 1.00 31.50 C ATOM 339 O SER A 22 -21.559 -17.105 -7.811 1.00 34.40 O ATOM 340 CB SER A 22 -20.595 -16.841 -4.691 1.00 63.10 C ATOM 341 OG SER A 22 -19.620 -16.949 -3.662 1.00 31.23 O ATOM 0 H SER A 22 -18.253 -16.522 -5.019 1.00 13.51 H new ATOM 0 HA SER A 22 -20.088 -18.344 -6.193 1.00 4.12 H new ATOM 0 HB2 SER A 22 -20.954 -15.814 -4.761 1.00 63.10 H new ATOM 0 HB3 SER A 22 -21.458 -17.465 -4.457 1.00 63.10 H new ATOM 0 HG SER A 22 -20.013 -16.670 -2.809 1.00 31.23 H new ATOM 347 N LYS A 23 -20.267 -15.361 -7.489 1.00 51.51 N ATOM 348 CA LYS A 23 -20.910 -14.629 -8.618 1.00 10.41 C ATOM 349 C LYS A 23 -19.961 -13.570 -9.185 1.00 52.10 C ATOM 350 O LYS A 23 -19.901 -12.456 -8.705 1.00 52.34 O ATOM 351 CB LYS A 23 -22.145 -13.965 -8.009 1.00 61.14 C ATOM 352 CG LYS A 23 -21.771 -13.307 -6.677 1.00 14.23 C ATOM 353 CD LYS A 23 -22.048 -11.804 -6.752 1.00 35.00 C ATOM 354 CE LYS A 23 -20.788 -11.028 -6.358 1.00 21.31 C ATOM 355 NZ LYS A 23 -20.272 -11.719 -5.143 1.00 43.23 N ATOM 0 H LYS A 23 -19.526 -14.853 -7.006 1.00 51.51 H new ATOM 0 HA LYS A 23 -21.165 -15.296 -9.442 1.00 10.41 H new ATOM 0 HB2 LYS A 23 -22.545 -13.218 -8.695 1.00 61.14 H new ATOM 0 HB3 LYS A 23 -22.929 -14.706 -7.853 1.00 61.14 H new ATOM 0 HG2 LYS A 23 -22.346 -13.753 -5.865 1.00 14.23 H new ATOM 0 HG3 LYS A 23 -20.718 -13.483 -6.456 1.00 14.23 H new ATOM 0 HD2 LYS A 23 -22.355 -11.531 -7.762 1.00 35.00 H new ATOM 0 HD3 LYS A 23 -22.871 -11.542 -6.087 1.00 35.00 H new ATOM 0 HE2 LYS A 23 -20.051 -11.039 -7.161 1.00 21.31 H new ATOM 0 HE3 LYS A 23 -21.017 -9.983 -6.150 1.00 21.31 H new ATOM 0 HZ1 LYS A 23 -19.793 -11.030 -4.529 1.00 43.23 H new ATOM 0 HZ2 LYS A 23 -21.065 -12.151 -4.626 1.00 43.23 H new ATOM 0 HZ3 LYS A 23 -19.598 -12.459 -5.425 1.00 43.23 H new ATOM 369 N ARG A 24 -19.229 -13.905 -10.211 1.00 3.21 N ATOM 370 CA ARG A 24 -18.290 -12.914 -10.817 1.00 41.21 C ATOM 371 C ARG A 24 -17.975 -13.310 -12.264 1.00 20.00 C ATOM 372 O ARG A 24 -18.416 -14.335 -12.746 1.00 4.21 O ATOM 373 CB ARG A 24 -17.031 -12.972 -9.953 1.00 43.42 C ATOM 374 CG ARG A 24 -17.134 -11.934 -8.831 1.00 50.31 C ATOM 375 CD ARG A 24 -16.008 -10.910 -8.974 1.00 23.24 C ATOM 376 NE ARG A 24 -16.348 -9.829 -8.006 1.00 34.01 N ATOM 377 CZ ARG A 24 -16.330 -8.582 -8.389 1.00 51.50 C ATOM 378 NH1 ARG A 24 -17.229 -8.143 -9.228 1.00 21.30 N ATOM 379 NH2 ARG A 24 -15.418 -7.771 -7.930 1.00 52.31 N ATOM 0 H ARG A 24 -19.239 -14.822 -10.658 1.00 3.21 H new ATOM 0 HA ARG A 24 -18.710 -11.909 -10.845 1.00 41.21 H new ATOM 0 HB2 ARG A 24 -16.913 -13.970 -9.530 1.00 43.42 H new ATOM 0 HB3 ARG A 24 -16.149 -12.778 -10.563 1.00 43.42 H new ATOM 0 HG2 ARG A 24 -18.101 -11.434 -8.873 1.00 50.31 H new ATOM 0 HG3 ARG A 24 -17.071 -12.426 -7.860 1.00 50.31 H new ATOM 0 HD2 ARG A 24 -15.039 -11.354 -8.746 1.00 23.24 H new ATOM 0 HD3 ARG A 24 -15.951 -10.525 -9.992 1.00 23.24 H new ATOM 0 HE ARG A 24 -16.595 -10.064 -7.045 1.00 34.01 H new ATOM 0 HH11 ARG A 24 -17.946 -8.775 -9.584 1.00 21.30 H new ATOM 0 HH12 ARG A 24 -17.214 -7.168 -9.527 1.00 21.30 H new ATOM 0 HH21 ARG A 24 -14.718 -8.111 -7.271 1.00 52.31 H new ATOM 0 HH22 ARG A 24 -15.405 -6.796 -8.230 1.00 52.31 H new ATOM 393 N ASP A 25 -17.222 -12.504 -12.961 1.00 61.13 N ATOM 394 CA ASP A 25 -16.887 -12.837 -14.376 1.00 51.14 C ATOM 395 C ASP A 25 -15.918 -14.020 -14.435 1.00 61.32 C ATOM 396 O ASP A 25 -16.023 -14.880 -15.286 1.00 52.40 O ATOM 397 CB ASP A 25 -16.229 -11.575 -14.936 1.00 73.13 C ATOM 398 CG ASP A 25 -15.061 -11.167 -14.037 1.00 14.11 C ATOM 399 OD1 ASP A 25 -14.055 -11.856 -14.055 1.00 63.15 O ATOM 400 OD2 ASP A 25 -15.193 -10.170 -13.345 1.00 71.04 O ATOM 0 H ASP A 25 -16.825 -11.631 -12.614 1.00 61.13 H new ATOM 0 HA ASP A 25 -17.769 -13.126 -14.948 1.00 51.14 H new ATOM 0 HB2 ASP A 25 -15.875 -11.756 -15.951 1.00 73.13 H new ATOM 0 HB3 ASP A 25 -16.958 -10.767 -14.993 1.00 73.13 H new ATOM 405 N GLN A 26 -14.971 -14.071 -13.539 1.00 10.53 N ATOM 406 CA GLN A 26 -13.998 -15.201 -13.550 1.00 73.40 C ATOM 407 C GLN A 26 -12.967 -15.026 -12.431 1.00 31.25 C ATOM 408 O GLN A 26 -11.783 -15.212 -12.630 1.00 40.40 O ATOM 409 CB GLN A 26 -13.320 -15.127 -14.916 1.00 43.20 C ATOM 410 CG GLN A 26 -13.270 -16.523 -15.541 1.00 2.32 C ATOM 411 CD GLN A 26 -14.391 -16.662 -16.573 1.00 13.34 C ATOM 412 OE1 GLN A 26 -14.292 -16.141 -17.668 1.00 11.34 O ATOM 413 NE2 GLN A 26 -15.460 -17.347 -16.273 1.00 61.22 N ATOM 0 H GLN A 26 -14.829 -13.381 -12.801 1.00 10.53 H new ATOM 0 HA GLN A 26 -14.484 -16.163 -13.386 1.00 73.40 H new ATOM 0 HB2 GLN A 26 -13.866 -14.445 -15.568 1.00 43.20 H new ATOM 0 HB3 GLN A 26 -12.311 -14.728 -14.811 1.00 43.20 H new ATOM 0 HG2 GLN A 26 -12.302 -16.686 -16.016 1.00 2.32 H new ATOM 0 HG3 GLN A 26 -13.377 -17.283 -14.767 1.00 2.32 H new ATOM 0 HE21 GLN A 26 -15.545 -17.784 -15.355 1.00 61.22 H new ATOM 0 HE22 GLN A 26 -16.211 -17.445 -16.956 1.00 61.22 H new ATOM 422 N THR A 27 -13.407 -14.670 -11.256 1.00 50.03 N ATOM 423 CA THR A 27 -12.451 -14.486 -10.129 1.00 54.14 C ATOM 424 C THR A 27 -12.188 -15.828 -9.439 1.00 51.15 C ATOM 425 O THR A 27 -13.106 -16.528 -9.056 1.00 34.11 O ATOM 426 CB THR A 27 -13.149 -13.516 -9.175 1.00 41.03 C ATOM 427 OG1 THR A 27 -13.299 -12.257 -9.813 1.00 42.43 O ATOM 428 CG2 THR A 27 -12.314 -13.350 -7.906 1.00 2.04 C ATOM 0 H THR A 27 -14.386 -14.499 -11.028 1.00 50.03 H new ATOM 0 HA THR A 27 -11.485 -14.105 -10.460 1.00 54.14 H new ATOM 0 HB THR A 27 -14.130 -13.911 -8.909 1.00 41.03 H new ATOM 0 HG1 THR A 27 -14.039 -12.301 -10.454 1.00 42.43 H new ATOM 0 HG21 THR A 27 -12.815 -12.658 -7.229 1.00 2.04 H new ATOM 0 HG22 THR A 27 -12.199 -14.317 -7.417 1.00 2.04 H new ATOM 0 HG23 THR A 27 -11.331 -12.956 -8.166 1.00 2.04 H new ATOM 436 N TYR A 28 -10.946 -16.196 -9.285 1.00 75.10 N ATOM 437 CA TYR A 28 -10.633 -17.498 -8.623 1.00 14.22 C ATOM 438 C TYR A 28 -9.572 -17.307 -7.537 1.00 1.33 C ATOM 439 O TYR A 28 -8.675 -16.497 -7.665 1.00 25.22 O ATOM 440 CB TYR A 28 -10.097 -18.393 -9.741 1.00 12.33 C ATOM 441 CG TYR A 28 -11.248 -18.979 -10.523 1.00 33.13 C ATOM 442 CD1 TYR A 28 -11.924 -18.195 -11.465 1.00 5.20 C ATOM 443 CD2 TYR A 28 -11.631 -20.308 -10.312 1.00 10.34 C ATOM 444 CE1 TYR A 28 -12.987 -18.742 -12.196 1.00 13.31 C ATOM 445 CE2 TYR A 28 -12.694 -20.854 -11.042 1.00 60.32 C ATOM 446 CZ TYR A 28 -13.372 -20.070 -11.983 1.00 13.15 C ATOM 447 OH TYR A 28 -14.418 -20.610 -12.705 1.00 64.21 O ATOM 0 H TYR A 28 -10.136 -15.655 -9.587 1.00 75.10 H new ATOM 0 HA TYR A 28 -11.508 -17.929 -8.136 1.00 14.22 H new ATOM 0 HB2 TYR A 28 -9.452 -17.816 -10.403 1.00 12.33 H new ATOM 0 HB3 TYR A 28 -9.488 -19.192 -9.319 1.00 12.33 H new ATOM 0 HD1 TYR A 28 -11.627 -17.170 -11.628 1.00 5.20 H new ATOM 0 HD2 TYR A 28 -11.107 -20.913 -9.586 1.00 10.34 H new ATOM 0 HE1 TYR A 28 -13.509 -18.138 -12.924 1.00 13.31 H new ATOM 0 HE2 TYR A 28 -12.991 -21.880 -10.879 1.00 60.32 H new ATOM 0 HH TYR A 28 -14.555 -21.542 -12.436 1.00 64.21 H new ATOM 457 N LEU A 29 -9.664 -18.055 -6.473 1.00 21.40 N ATOM 458 CA LEU A 29 -8.657 -17.923 -5.380 1.00 11.42 C ATOM 459 C LEU A 29 -7.694 -19.113 -5.413 1.00 52.30 C ATOM 460 O LEU A 29 -8.031 -20.182 -5.882 1.00 32.41 O ATOM 461 CB LEU A 29 -9.476 -17.925 -4.089 1.00 33.03 C ATOM 462 CG LEU A 29 -9.388 -16.549 -3.425 1.00 44.40 C ATOM 463 CD1 LEU A 29 -10.122 -16.580 -2.087 1.00 32.43 C ATOM 464 CD2 LEU A 29 -7.918 -16.190 -3.191 1.00 70.31 C ATOM 0 H LEU A 29 -10.391 -18.752 -6.312 1.00 21.40 H new ATOM 0 HA LEU A 29 -8.052 -17.021 -5.474 1.00 11.42 H new ATOM 0 HB2 LEU A 29 -10.516 -18.170 -4.306 1.00 33.03 H new ATOM 0 HB3 LEU A 29 -9.103 -18.692 -3.411 1.00 33.03 H new ATOM 0 HG LEU A 29 -9.847 -15.803 -4.074 1.00 44.40 H new ATOM 0 HD11 LEU A 29 -10.059 -15.600 -1.615 1.00 32.43 H new ATOM 0 HD12 LEU A 29 -11.168 -16.837 -2.252 1.00 32.43 H new ATOM 0 HD13 LEU A 29 -9.663 -17.326 -1.438 1.00 32.43 H new ATOM 0 HD21 LEU A 29 -7.854 -15.210 -2.718 1.00 70.31 H new ATOM 0 HD22 LEU A 29 -7.460 -16.937 -2.542 1.00 70.31 H new ATOM 0 HD23 LEU A 29 -7.393 -16.167 -4.146 1.00 70.31 H new ATOM 476 N TYR A 30 -6.496 -18.937 -4.927 1.00 62.24 N ATOM 477 CA TYR A 30 -5.516 -20.063 -4.940 1.00 20.42 C ATOM 478 C TYR A 30 -4.874 -20.230 -3.560 1.00 23.11 C ATOM 479 O TYR A 30 -4.555 -19.266 -2.894 1.00 3.13 O ATOM 480 CB TYR A 30 -4.463 -19.654 -5.971 1.00 10.45 C ATOM 481 CG TYR A 30 -5.046 -19.750 -7.359 1.00 73.23 C ATOM 482 CD1 TYR A 30 -5.940 -18.773 -7.809 1.00 12.01 C ATOM 483 CD2 TYR A 30 -4.693 -20.816 -8.194 1.00 31.14 C ATOM 484 CE1 TYR A 30 -6.479 -18.858 -9.097 1.00 63.14 C ATOM 485 CE2 TYR A 30 -5.233 -20.903 -9.482 1.00 12.11 C ATOM 486 CZ TYR A 30 -6.127 -19.923 -9.934 1.00 4.21 C ATOM 487 OH TYR A 30 -6.657 -20.010 -11.205 1.00 65.23 O ATOM 0 H TYR A 30 -6.153 -18.066 -4.522 1.00 62.24 H new ATOM 0 HA TYR A 30 -5.987 -21.015 -5.186 1.00 20.42 H new ATOM 0 HB2 TYR A 30 -4.127 -18.635 -5.777 1.00 10.45 H new ATOM 0 HB3 TYR A 30 -3.589 -20.300 -5.888 1.00 10.45 H new ATOM 0 HD1 TYR A 30 -6.214 -17.953 -7.162 1.00 12.01 H new ATOM 0 HD2 TYR A 30 -4.004 -21.571 -7.845 1.00 31.14 H new ATOM 0 HE1 TYR A 30 -7.167 -18.102 -9.446 1.00 63.14 H new ATOM 0 HE2 TYR A 30 -4.961 -21.725 -10.127 1.00 12.11 H new ATOM 0 HH TYR A 30 -7.549 -19.603 -11.216 1.00 65.23 H new ATOM 497 N VAL A 31 -4.677 -21.445 -3.130 1.00 4.10 N ATOM 498 CA VAL A 31 -4.050 -21.674 -1.794 1.00 65.13 C ATOM 499 C VAL A 31 -3.314 -23.014 -1.774 1.00 12.31 C ATOM 500 O VAL A 31 -3.664 -23.939 -2.480 1.00 65.31 O ATOM 501 CB VAL A 31 -5.198 -21.689 -0.775 1.00 31.32 C ATOM 502 CG1 VAL A 31 -5.402 -20.279 -0.223 1.00 34.10 C ATOM 503 CG2 VAL A 31 -6.496 -22.173 -1.435 1.00 61.20 C ATOM 0 H VAL A 31 -4.922 -22.291 -3.644 1.00 4.10 H new ATOM 0 HA VAL A 31 -3.322 -20.896 -1.563 1.00 65.13 H new ATOM 0 HB VAL A 31 -4.942 -22.372 0.035 1.00 31.32 H new ATOM 0 HG11 VAL A 31 -6.217 -20.286 0.501 1.00 34.10 H new ATOM 0 HG12 VAL A 31 -4.487 -19.943 0.264 1.00 34.10 H new ATOM 0 HG13 VAL A 31 -5.648 -19.601 -1.040 1.00 34.10 H new ATOM 0 HG21 VAL A 31 -7.299 -22.177 -0.698 1.00 61.20 H new ATOM 0 HG22 VAL A 31 -6.759 -21.504 -2.254 1.00 61.20 H new ATOM 0 HG23 VAL A 31 -6.353 -23.182 -1.822 1.00 61.20 H new ATOM 513 N GLU A 32 -2.298 -23.129 -0.961 1.00 22.15 N ATOM 514 CA GLU A 32 -1.547 -24.414 -0.893 1.00 34.23 C ATOM 515 C GLU A 32 -2.480 -25.530 -0.424 1.00 41.42 C ATOM 516 O GLU A 32 -2.203 -26.701 -0.587 1.00 22.11 O ATOM 517 CB GLU A 32 -0.435 -24.174 0.128 1.00 53.11 C ATOM 518 CG GLU A 32 -1.053 -23.867 1.495 1.00 13.20 C ATOM 519 CD GLU A 32 -0.061 -24.237 2.599 1.00 33.41 C ATOM 520 OE1 GLU A 32 1.022 -24.692 2.268 1.00 25.03 O ATOM 521 OE2 GLU A 32 -0.399 -24.059 3.758 1.00 63.42 O ATOM 0 H GLU A 32 -1.957 -22.392 -0.344 1.00 22.15 H new ATOM 0 HA GLU A 32 -1.144 -24.715 -1.860 1.00 34.23 H new ATOM 0 HB2 GLU A 32 0.206 -25.053 0.196 1.00 53.11 H new ATOM 0 HB3 GLU A 32 0.195 -23.344 -0.193 1.00 53.11 H new ATOM 0 HG2 GLU A 32 -1.309 -22.809 1.561 1.00 13.20 H new ATOM 0 HG3 GLU A 32 -1.979 -24.427 1.621 1.00 13.20 H new ATOM 528 N LYS A 33 -3.592 -25.167 0.155 1.00 43.41 N ATOM 529 CA LYS A 33 -4.560 -26.192 0.636 1.00 70.30 C ATOM 530 C LYS A 33 -5.946 -25.561 0.788 1.00 62.22 C ATOM 531 O LYS A 33 -6.078 -24.359 0.919 1.00 45.00 O ATOM 532 CB LYS A 33 -4.021 -26.651 1.993 1.00 44.10 C ATOM 533 CG LYS A 33 -4.310 -25.583 3.051 1.00 12.34 C ATOM 534 CD LYS A 33 -3.116 -25.467 4.003 1.00 12.12 C ATOM 535 CE LYS A 33 -3.335 -26.382 5.209 1.00 10.14 C ATOM 536 NZ LYS A 33 -2.003 -26.473 5.870 1.00 71.35 N ATOM 0 H LYS A 33 -3.872 -24.200 0.316 1.00 43.41 H new ATOM 0 HA LYS A 33 -4.661 -27.028 -0.056 1.00 70.30 H new ATOM 0 HB2 LYS A 33 -4.485 -27.595 2.279 1.00 44.10 H new ATOM 0 HB3 LYS A 33 -2.948 -26.830 1.927 1.00 44.10 H new ATOM 0 HG2 LYS A 33 -4.500 -24.623 2.571 1.00 12.34 H new ATOM 0 HG3 LYS A 33 -5.209 -25.844 3.609 1.00 12.34 H new ATOM 0 HD2 LYS A 33 -2.197 -25.743 3.486 1.00 12.12 H new ATOM 0 HD3 LYS A 33 -2.999 -24.435 4.333 1.00 12.12 H new ATOM 0 HE2 LYS A 33 -4.084 -25.971 5.886 1.00 10.14 H new ATOM 0 HE3 LYS A 33 -3.690 -27.365 4.899 1.00 10.14 H new ATOM 0 HZ1 LYS A 33 -2.072 -27.085 6.708 1.00 71.35 H new ATOM 0 HZ2 LYS A 33 -1.312 -26.874 5.204 1.00 71.35 H new ATOM 0 HZ3 LYS A 33 -1.694 -25.523 6.160 1.00 71.35 H new ATOM 550 N LYS A 34 -6.978 -26.354 0.770 1.00 65.01 N ATOM 551 CA LYS A 34 -8.350 -25.793 0.914 1.00 1.25 C ATOM 552 C LYS A 34 -8.667 -25.547 2.391 1.00 13.21 C ATOM 553 O LYS A 34 -9.616 -26.085 2.929 1.00 71.45 O ATOM 554 CB LYS A 34 -9.279 -26.864 0.337 1.00 14.41 C ATOM 555 CG LYS A 34 -9.255 -28.096 1.242 1.00 14.23 C ATOM 556 CD LYS A 34 -9.359 -29.358 0.385 1.00 41.52 C ATOM 557 CE LYS A 34 -10.830 -29.762 0.249 1.00 72.15 C ATOM 558 NZ LYS A 34 -10.806 -31.055 -0.488 1.00 12.20 N ATOM 0 H LYS A 34 -6.932 -27.367 0.662 1.00 65.01 H new ATOM 0 HA LYS A 34 -8.462 -24.838 0.401 1.00 1.25 H new ATOM 0 HB2 LYS A 34 -10.295 -26.476 0.258 1.00 14.41 H new ATOM 0 HB3 LYS A 34 -8.961 -27.133 -0.670 1.00 14.41 H new ATOM 0 HG2 LYS A 34 -8.335 -28.114 1.826 1.00 14.23 H new ATOM 0 HG3 LYS A 34 -10.081 -28.056 1.952 1.00 14.23 H new ATOM 0 HD2 LYS A 34 -8.927 -29.179 -0.600 1.00 41.52 H new ATOM 0 HD3 LYS A 34 -8.789 -30.168 0.840 1.00 41.52 H new ATOM 0 HE2 LYS A 34 -11.301 -29.873 1.226 1.00 72.15 H new ATOM 0 HE3 LYS A 34 -11.398 -29.008 -0.295 1.00 72.15 H new ATOM 0 HZ1 LYS A 34 -11.779 -31.397 -0.621 1.00 12.20 H new ATOM 0 HZ2 LYS A 34 -10.358 -30.917 -1.416 1.00 12.20 H new ATOM 0 HZ3 LYS A 34 -10.264 -31.755 0.057 1.00 12.20 H new ATOM 572 N ASP A 35 -7.879 -24.744 3.054 1.00 64.13 N ATOM 573 CA ASP A 35 -8.145 -24.475 4.497 1.00 43.30 C ATOM 574 C ASP A 35 -9.004 -23.217 4.659 1.00 15.21 C ATOM 575 O ASP A 35 -10.172 -23.291 4.981 1.00 15.01 O ATOM 576 CB ASP A 35 -6.765 -24.262 5.117 1.00 30.42 C ATOM 577 CG ASP A 35 -6.921 -23.740 6.546 1.00 60.41 C ATOM 578 OD1 ASP A 35 -8.045 -23.678 7.013 1.00 64.40 O ATOM 579 OD2 ASP A 35 -5.913 -23.411 7.150 1.00 61.12 O ATOM 0 H ASP A 35 -7.068 -24.265 2.662 1.00 64.13 H new ATOM 0 HA ASP A 35 -8.689 -25.290 4.973 1.00 43.30 H new ATOM 0 HB2 ASP A 35 -6.208 -25.199 5.120 1.00 30.42 H new ATOM 0 HB3 ASP A 35 -6.192 -23.552 4.520 1.00 30.42 H new ATOM 584 N ASP A 36 -8.434 -22.066 4.437 1.00 51.31 N ATOM 585 CA ASP A 36 -9.221 -20.808 4.578 1.00 12.01 C ATOM 586 C ASP A 36 -8.453 -19.628 3.978 1.00 55.13 C ATOM 587 O ASP A 36 -7.297 -19.741 3.621 1.00 70.30 O ATOM 588 CB ASP A 36 -9.404 -20.613 6.082 1.00 50.43 C ATOM 589 CG ASP A 36 -10.689 -21.309 6.536 1.00 21.11 C ATOM 590 OD1 ASP A 36 -11.702 -21.128 5.877 1.00 63.21 O ATOM 591 OD2 ASP A 36 -10.642 -22.009 7.533 1.00 21.12 O ATOM 0 H ASP A 36 -7.459 -21.941 4.164 1.00 51.31 H new ATOM 0 HA ASP A 36 -10.176 -20.865 4.056 1.00 12.01 H new ATOM 0 HB2 ASP A 36 -8.548 -21.021 6.619 1.00 50.43 H new ATOM 0 HB3 ASP A 36 -9.451 -19.550 6.318 1.00 50.43 H new ATOM 596 N PHE A 37 -9.085 -18.494 3.884 1.00 11.43 N ATOM 597 CA PHE A 37 -8.395 -17.296 3.329 1.00 23.10 C ATOM 598 C PHE A 37 -8.431 -16.169 4.363 1.00 32.53 C ATOM 599 O PHE A 37 -9.426 -15.490 4.522 1.00 14.20 O ATOM 600 CB PHE A 37 -9.217 -16.912 2.099 1.00 74.21 C ATOM 601 CG PHE A 37 -8.841 -17.795 0.934 1.00 41.12 C ATOM 602 CD1 PHE A 37 -7.789 -17.427 0.085 1.00 54.01 C ATOM 603 CD2 PHE A 37 -9.548 -18.981 0.697 1.00 15.01 C ATOM 604 CE1 PHE A 37 -7.446 -18.243 -1.000 1.00 42.35 C ATOM 605 CE2 PHE A 37 -9.205 -19.797 -0.386 1.00 31.52 C ATOM 606 CZ PHE A 37 -8.154 -19.429 -1.235 1.00 54.11 C ATOM 0 H PHE A 37 -10.053 -18.343 4.168 1.00 11.43 H new ATOM 0 HA PHE A 37 -7.350 -17.483 3.081 1.00 23.10 H new ATOM 0 HB2 PHE A 37 -10.280 -17.014 2.315 1.00 74.21 H new ATOM 0 HB3 PHE A 37 -9.042 -15.866 1.846 1.00 74.21 H new ATOM 0 HD1 PHE A 37 -7.242 -16.514 0.267 1.00 54.01 H new ATOM 0 HD2 PHE A 37 -10.359 -19.266 1.351 1.00 15.01 H new ATOM 0 HE1 PHE A 37 -6.636 -17.958 -1.655 1.00 42.35 H new ATOM 0 HE2 PHE A 37 -9.751 -20.711 -0.567 1.00 31.52 H new ATOM 0 HZ PHE A 37 -7.889 -20.059 -2.071 1.00 54.11 H new ATOM 616 N SER A 38 -7.355 -15.966 5.074 1.00 44.03 N ATOM 617 CA SER A 38 -7.332 -14.888 6.103 1.00 61.13 C ATOM 618 C SER A 38 -6.369 -13.775 5.688 1.00 40.31 C ATOM 619 O SER A 38 -6.314 -12.727 6.299 1.00 0.24 O ATOM 620 CB SER A 38 -6.847 -15.572 7.380 1.00 51.04 C ATOM 621 OG SER A 38 -6.253 -14.603 8.235 1.00 20.34 O ATOM 0 H SER A 38 -6.491 -16.500 4.986 1.00 44.03 H new ATOM 0 HA SER A 38 -8.309 -14.423 6.235 1.00 61.13 H new ATOM 0 HB2 SER A 38 -7.682 -16.057 7.886 1.00 51.04 H new ATOM 0 HB3 SER A 38 -6.125 -16.351 7.137 1.00 51.04 H new ATOM 0 HG SER A 38 -6.500 -13.704 7.932 1.00 20.34 H new ATOM 627 N ARG A 39 -5.603 -14.001 4.659 1.00 33.22 N ATOM 628 CA ARG A 39 -4.632 -12.964 4.212 1.00 51.30 C ATOM 629 C ARG A 39 -5.236 -12.115 3.092 1.00 43.40 C ATOM 630 O ARG A 39 -4.758 -11.041 2.787 1.00 14.32 O ATOM 631 CB ARG A 39 -3.425 -13.751 3.704 1.00 71.23 C ATOM 632 CG ARG A 39 -2.150 -12.935 3.929 1.00 11.12 C ATOM 633 CD ARG A 39 -2.297 -11.563 3.268 1.00 53.25 C ATOM 634 NE ARG A 39 -0.920 -10.998 3.233 1.00 45.10 N ATOM 635 CZ ARG A 39 -0.730 -9.764 2.860 1.00 42.00 C ATOM 636 NH1 ARG A 39 -1.355 -8.794 3.472 1.00 34.12 N ATOM 637 NH2 ARG A 39 0.081 -9.495 1.872 1.00 33.23 N ATOM 0 H ARG A 39 -5.607 -14.859 4.108 1.00 33.22 H new ATOM 0 HA ARG A 39 -4.363 -12.276 5.013 1.00 51.30 H new ATOM 0 HB2 ARG A 39 -3.355 -14.706 4.225 1.00 71.23 H new ATOM 0 HB3 ARG A 39 -3.544 -13.975 2.644 1.00 71.23 H new ATOM 0 HG2 ARG A 39 -1.965 -12.818 4.997 1.00 11.12 H new ATOM 0 HG3 ARG A 39 -1.291 -13.461 3.512 1.00 11.12 H new ATOM 0 HD2 ARG A 39 -2.712 -11.652 2.264 1.00 53.25 H new ATOM 0 HD3 ARG A 39 -2.971 -10.922 3.836 1.00 53.25 H new ATOM 0 HE ARG A 39 -0.125 -11.577 3.501 1.00 45.10 H new ATOM 0 HH11 ARG A 39 -1.991 -9.003 4.241 1.00 34.12 H new ATOM 0 HH12 ARG A 39 -1.207 -7.828 3.181 1.00 34.12 H new ATOM 0 HH21 ARG A 39 0.567 -10.252 1.391 1.00 33.23 H new ATOM 0 HH22 ARG A 39 0.228 -8.528 1.582 1.00 33.23 H new ATOM 651 N VAL A 40 -6.284 -12.584 2.476 1.00 14.11 N ATOM 652 CA VAL A 40 -6.909 -11.793 1.381 1.00 1.32 C ATOM 653 C VAL A 40 -7.479 -10.485 1.939 1.00 33.03 C ATOM 654 O VAL A 40 -8.185 -10.485 2.927 1.00 61.33 O ATOM 655 CB VAL A 40 -8.035 -12.677 0.846 1.00 14.21 C ATOM 656 CG1 VAL A 40 -9.029 -12.961 1.969 1.00 51.35 C ATOM 657 CG2 VAL A 40 -8.751 -11.951 -0.296 1.00 21.41 C ATOM 0 H VAL A 40 -6.733 -13.476 2.682 1.00 14.11 H new ATOM 0 HA VAL A 40 -6.194 -11.527 0.603 1.00 1.32 H new ATOM 0 HB VAL A 40 -7.621 -13.616 0.478 1.00 14.21 H new ATOM 0 HG11 VAL A 40 -9.834 -13.591 1.592 1.00 51.35 H new ATOM 0 HG12 VAL A 40 -8.519 -13.473 2.785 1.00 51.35 H new ATOM 0 HG13 VAL A 40 -9.444 -12.021 2.333 1.00 51.35 H new ATOM 0 HG21 VAL A 40 -9.555 -12.580 -0.679 1.00 21.41 H new ATOM 0 HG22 VAL A 40 -9.168 -11.014 0.073 1.00 21.41 H new ATOM 0 HG23 VAL A 40 -8.041 -11.742 -1.096 1.00 21.41 H new ATOM 667 N PRO A 41 -7.142 -9.411 1.282 1.00 62.31 N ATOM 668 CA PRO A 41 -7.616 -8.069 1.708 1.00 50.01 C ATOM 669 C PRO A 41 -9.119 -7.928 1.458 1.00 63.32 C ATOM 670 O PRO A 41 -9.662 -8.498 0.534 1.00 74.20 O ATOM 671 CB PRO A 41 -6.823 -7.113 0.820 1.00 11.30 C ATOM 672 CG PRO A 41 -6.464 -7.924 -0.385 1.00 41.45 C ATOM 673 CD PRO A 41 -6.299 -9.345 0.087 1.00 14.30 C ATOM 0 HA PRO A 41 -7.468 -7.878 2.771 1.00 50.01 H new ATOM 0 HB2 PRO A 41 -7.417 -6.241 0.548 1.00 11.30 H new ATOM 0 HB3 PRO A 41 -5.932 -6.746 1.330 1.00 11.30 H new ATOM 0 HG2 PRO A 41 -7.243 -7.856 -1.144 1.00 41.45 H new ATOM 0 HG3 PRO A 41 -5.543 -7.557 -0.839 1.00 41.45 H new ATOM 0 HD2 PRO A 41 -6.621 -10.059 -0.671 1.00 14.30 H new ATOM 0 HD3 PRO A 41 -5.258 -9.573 0.317 1.00 14.30 H new ATOM 681 N GLU A 42 -9.798 -7.171 2.280 1.00 12.01 N ATOM 682 CA GLU A 42 -11.262 -6.992 2.090 1.00 62.12 C ATOM 683 C GLU A 42 -11.531 -6.183 0.819 1.00 2.11 C ATOM 684 O GLU A 42 -12.652 -6.085 0.362 1.00 20.40 O ATOM 685 CB GLU A 42 -11.727 -6.229 3.329 1.00 10.34 C ATOM 686 CG GLU A 42 -12.754 -7.071 4.091 1.00 41.15 C ATOM 687 CD GLU A 42 -13.848 -6.163 4.653 1.00 11.14 C ATOM 688 OE1 GLU A 42 -13.536 -5.036 4.996 1.00 53.41 O ATOM 689 OE2 GLU A 42 -14.980 -6.611 4.730 1.00 73.31 O ATOM 0 H GLU A 42 -9.399 -6.670 3.074 1.00 12.01 H new ATOM 0 HA GLU A 42 -11.789 -7.940 1.977 1.00 62.12 H new ATOM 0 HB2 GLU A 42 -10.876 -6.005 3.972 1.00 10.34 H new ATOM 0 HB3 GLU A 42 -12.167 -5.275 3.038 1.00 10.34 H new ATOM 0 HG2 GLU A 42 -13.192 -7.817 3.427 1.00 41.15 H new ATOM 0 HG3 GLU A 42 -12.266 -7.613 4.901 1.00 41.15 H new ATOM 696 N GLU A 43 -10.510 -5.611 0.241 1.00 31.15 N ATOM 697 CA GLU A 43 -10.712 -4.818 -1.005 1.00 50.30 C ATOM 698 C GLU A 43 -11.021 -5.764 -2.166 1.00 5.04 C ATOM 699 O GLU A 43 -11.867 -5.493 -2.995 1.00 42.41 O ATOM 700 CB GLU A 43 -9.387 -4.087 -1.238 1.00 12.03 C ATOM 701 CG GLU A 43 -8.334 -5.079 -1.739 1.00 31.25 C ATOM 702 CD GLU A 43 -6.966 -4.397 -1.776 1.00 64.10 C ATOM 703 OE1 GLU A 43 -6.921 -3.192 -1.590 1.00 30.42 O ATOM 704 OE2 GLU A 43 -5.985 -5.089 -1.987 1.00 41.42 O ATOM 0 H GLU A 43 -9.548 -5.658 0.576 1.00 31.15 H new ATOM 0 HA GLU A 43 -11.543 -4.117 -0.926 1.00 50.30 H new ATOM 0 HB2 GLU A 43 -9.524 -3.288 -1.967 1.00 12.03 H new ATOM 0 HB3 GLU A 43 -9.050 -3.620 -0.313 1.00 12.03 H new ATOM 0 HG2 GLU A 43 -8.300 -5.950 -1.085 1.00 31.25 H new ATOM 0 HG3 GLU A 43 -8.601 -5.437 -2.733 1.00 31.25 H new ATOM 711 N LEU A 44 -10.349 -6.880 -2.219 1.00 4.23 N ATOM 712 CA LEU A 44 -10.606 -7.860 -3.310 1.00 20.43 C ATOM 713 C LEU A 44 -11.713 -8.814 -2.870 1.00 20.15 C ATOM 714 O LEU A 44 -12.678 -9.033 -3.576 1.00 21.11 O ATOM 715 CB LEU A 44 -9.285 -8.608 -3.495 1.00 62.23 C ATOM 716 CG LEU A 44 -8.849 -8.524 -4.958 1.00 12.53 C ATOM 717 CD1 LEU A 44 -9.952 -9.093 -5.852 1.00 65.11 C ATOM 718 CD2 LEU A 44 -8.593 -7.062 -5.329 1.00 4.00 C ATOM 0 H LEU A 44 -9.630 -7.156 -1.551 1.00 4.23 H new ATOM 0 HA LEU A 44 -10.927 -7.389 -4.239 1.00 20.43 H new ATOM 0 HB2 LEU A 44 -8.518 -8.177 -2.851 1.00 62.23 H new ATOM 0 HB3 LEU A 44 -9.401 -9.651 -3.199 1.00 62.23 H new ATOM 0 HG LEU A 44 -7.935 -9.100 -5.100 1.00 12.53 H new ATOM 0 HD11 LEU A 44 -9.642 -9.033 -6.895 1.00 65.11 H new ATOM 0 HD12 LEU A 44 -10.134 -10.134 -5.587 1.00 65.11 H new ATOM 0 HD13 LEU A 44 -10.867 -8.517 -5.712 1.00 65.11 H new ATOM 0 HD21 LEU A 44 -8.282 -7.000 -6.372 1.00 4.00 H new ATOM 0 HD22 LEU A 44 -9.507 -6.485 -5.188 1.00 4.00 H new ATOM 0 HD23 LEU A 44 -7.807 -6.657 -4.691 1.00 4.00 H new ATOM 730 N MET A 45 -11.588 -9.373 -1.696 1.00 13.02 N ATOM 731 CA MET A 45 -12.645 -10.294 -1.204 1.00 40.15 C ATOM 732 C MET A 45 -13.996 -9.583 -1.253 1.00 70.02 C ATOM 733 O MET A 45 -15.035 -10.203 -1.299 1.00 64.22 O ATOM 734 CB MET A 45 -12.254 -10.620 0.240 1.00 74.04 C ATOM 735 CG MET A 45 -13.152 -11.739 0.771 1.00 22.41 C ATOM 736 SD MET A 45 -12.263 -12.679 2.036 1.00 63.42 S ATOM 737 CE MET A 45 -11.639 -13.987 0.949 1.00 43.31 C ATOM 0 H MET A 45 -10.802 -9.231 -1.061 1.00 13.02 H new ATOM 0 HA MET A 45 -12.730 -11.199 -1.806 1.00 40.15 H new ATOM 0 HB2 MET A 45 -11.209 -10.926 0.285 1.00 74.04 H new ATOM 0 HB3 MET A 45 -12.353 -9.732 0.864 1.00 74.04 H new ATOM 0 HG2 MET A 45 -14.066 -11.318 1.191 1.00 22.41 H new ATOM 0 HG3 MET A 45 -13.450 -12.398 -0.044 1.00 22.41 H new ATOM 0 HE1 MET A 45 -10.897 -14.580 1.483 1.00 43.31 H new ATOM 0 HE2 MET A 45 -12.464 -14.629 0.642 1.00 43.31 H new ATOM 0 HE3 MET A 45 -11.180 -13.539 0.067 1.00 43.31 H new ATOM 747 N LYS A 46 -13.985 -8.278 -1.260 1.00 33.02 N ATOM 748 CA LYS A 46 -15.269 -7.528 -1.323 1.00 62.04 C ATOM 749 C LYS A 46 -16.178 -8.174 -2.371 1.00 24.20 C ATOM 750 O LYS A 46 -17.359 -8.359 -2.158 1.00 15.13 O ATOM 751 CB LYS A 46 -14.872 -6.107 -1.743 1.00 45.02 C ATOM 752 CG LYS A 46 -16.071 -5.389 -2.367 1.00 1.21 C ATOM 753 CD LYS A 46 -17.143 -5.159 -1.300 1.00 63.31 C ATOM 754 CE LYS A 46 -18.436 -4.691 -1.970 1.00 22.15 C ATOM 755 NZ LYS A 46 -18.517 -3.233 -1.669 1.00 72.11 N ATOM 0 H LYS A 46 -13.145 -7.701 -1.225 1.00 33.02 H new ATOM 0 HA LYS A 46 -15.813 -7.528 -0.378 1.00 62.04 H new ATOM 0 HB2 LYS A 46 -14.515 -5.550 -0.877 1.00 45.02 H new ATOM 0 HB3 LYS A 46 -14.050 -6.147 -2.458 1.00 45.02 H new ATOM 0 HG2 LYS A 46 -15.756 -4.436 -2.792 1.00 1.21 H new ATOM 0 HG3 LYS A 46 -16.479 -5.984 -3.185 1.00 1.21 H new ATOM 0 HD2 LYS A 46 -17.321 -6.079 -0.744 1.00 63.31 H new ATOM 0 HD3 LYS A 46 -16.802 -4.413 -0.582 1.00 63.31 H new ATOM 0 HE2 LYS A 46 -18.412 -4.872 -3.045 1.00 22.15 H new ATOM 0 HE3 LYS A 46 -19.301 -5.225 -1.576 1.00 22.15 H new ATOM 0 HZ1 LYS A 46 -19.379 -2.838 -2.096 1.00 72.11 H new ATOM 0 HZ2 LYS A 46 -18.545 -3.092 -0.639 1.00 72.11 H new ATOM 0 HZ3 LYS A 46 -17.684 -2.751 -2.062 1.00 72.11 H new ATOM 769 N GLY A 47 -15.626 -8.524 -3.500 1.00 30.04 N ATOM 770 CA GLY A 47 -16.447 -9.167 -4.566 1.00 11.31 C ATOM 771 C GLY A 47 -16.440 -10.684 -4.369 1.00 73.20 C ATOM 772 O GLY A 47 -17.431 -11.352 -4.584 1.00 63.35 O ATOM 0 H GLY A 47 -14.641 -8.393 -3.731 1.00 30.04 H new ATOM 0 HA2 GLY A 47 -17.469 -8.790 -4.530 1.00 11.31 H new ATOM 0 HA3 GLY A 47 -16.048 -8.915 -5.549 1.00 11.31 H new ATOM 776 N PHE A 48 -15.327 -11.234 -3.963 1.00 33.10 N ATOM 777 CA PHE A 48 -15.256 -12.710 -3.754 1.00 12.35 C ATOM 778 C PHE A 48 -16.069 -13.113 -2.520 1.00 31.05 C ATOM 779 O PHE A 48 -16.868 -14.027 -2.563 1.00 25.11 O ATOM 780 CB PHE A 48 -13.769 -13.005 -3.537 1.00 44.30 C ATOM 781 CG PHE A 48 -13.414 -14.320 -4.188 1.00 71.42 C ATOM 782 CD1 PHE A 48 -14.321 -15.387 -4.158 1.00 52.04 C ATOM 783 CD2 PHE A 48 -12.174 -14.474 -4.823 1.00 4.23 C ATOM 784 CE1 PHE A 48 -13.989 -16.605 -4.761 1.00 42.21 C ATOM 785 CE2 PHE A 48 -11.845 -15.694 -5.428 1.00 61.23 C ATOM 786 CZ PHE A 48 -12.753 -16.758 -5.397 1.00 72.33 C ATOM 0 H PHE A 48 -14.465 -10.726 -3.767 1.00 33.10 H new ATOM 0 HA PHE A 48 -15.666 -13.267 -4.597 1.00 12.35 H new ATOM 0 HB2 PHE A 48 -13.163 -12.203 -3.959 1.00 44.30 H new ATOM 0 HB3 PHE A 48 -13.547 -13.044 -2.470 1.00 44.30 H new ATOM 0 HD1 PHE A 48 -15.277 -15.269 -3.669 1.00 52.04 H new ATOM 0 HD2 PHE A 48 -11.473 -13.653 -4.846 1.00 4.23 H new ATOM 0 HE1 PHE A 48 -14.688 -17.428 -4.735 1.00 42.21 H new ATOM 0 HE2 PHE A 48 -10.890 -15.813 -5.918 1.00 61.23 H new ATOM 0 HZ PHE A 48 -12.499 -17.698 -5.864 1.00 72.33 H new ATOM 796 N GLY A 49 -15.866 -12.441 -1.419 1.00 20.34 N ATOM 797 CA GLY A 49 -16.619 -12.785 -0.183 1.00 64.10 C ATOM 798 C GLY A 49 -16.246 -14.201 0.248 1.00 13.22 C ATOM 799 O GLY A 49 -15.187 -14.435 0.797 1.00 64.34 O ATOM 0 H GLY A 49 -15.209 -11.667 -1.324 1.00 20.34 H new ATOM 0 HA2 GLY A 49 -16.384 -12.076 0.611 1.00 64.10 H new ATOM 0 HA3 GLY A 49 -17.692 -12.717 -0.364 1.00 64.10 H new ATOM 803 N GLN A 50 -17.098 -15.150 -0.012 1.00 61.42 N ATOM 804 CA GLN A 50 -16.781 -16.552 0.369 1.00 32.22 C ATOM 805 C GLN A 50 -16.424 -17.353 -0.885 1.00 52.22 C ATOM 806 O GLN A 50 -17.234 -17.498 -1.778 1.00 2.13 O ATOM 807 CB GLN A 50 -18.061 -17.091 1.010 1.00 2.34 C ATOM 808 CG GLN A 50 -17.767 -17.537 2.445 1.00 31.40 C ATOM 809 CD GLN A 50 -17.000 -16.435 3.177 1.00 40.04 C ATOM 810 OE1 GLN A 50 -16.220 -16.710 4.067 1.00 2.51 O ATOM 811 NE2 GLN A 50 -17.189 -15.189 2.838 1.00 50.21 N ATOM 0 H GLN A 50 -17.999 -15.016 -0.471 1.00 61.42 H new ATOM 0 HA GLN A 50 -15.933 -16.622 1.051 1.00 32.22 H new ATOM 0 HB2 GLN A 50 -18.833 -16.321 1.008 1.00 2.34 H new ATOM 0 HB3 GLN A 50 -18.446 -17.929 0.429 1.00 2.34 H new ATOM 0 HG2 GLN A 50 -18.699 -17.754 2.967 1.00 31.40 H new ATOM 0 HG3 GLN A 50 -17.183 -18.458 2.438 1.00 31.40 H new ATOM 0 HE21 GLN A 50 -17.844 -14.957 2.091 1.00 50.21 H new ATOM 0 HE22 GLN A 50 -16.682 -14.447 3.320 1.00 50.21 H new ATOM 820 N PRO A 51 -15.214 -17.840 -0.915 1.00 5.44 N ATOM 821 CA PRO A 51 -14.739 -18.626 -2.081 1.00 63.15 C ATOM 822 C PRO A 51 -15.447 -19.978 -2.149 1.00 15.13 C ATOM 823 O PRO A 51 -15.992 -20.458 -1.174 1.00 21.31 O ATOM 824 CB PRO A 51 -13.246 -18.800 -1.810 1.00 1.33 C ATOM 825 CG PRO A 51 -13.107 -18.666 -0.329 1.00 54.11 C ATOM 826 CD PRO A 51 -14.182 -17.714 0.121 1.00 42.15 C ATOM 0 HA PRO A 51 -14.941 -18.139 -3.035 1.00 63.15 H new ATOM 0 HB2 PRO A 51 -12.893 -19.772 -2.154 1.00 1.33 H new ATOM 0 HB3 PRO A 51 -12.659 -18.044 -2.332 1.00 1.33 H new ATOM 0 HG2 PRO A 51 -13.218 -19.634 0.159 1.00 54.11 H new ATOM 0 HG3 PRO A 51 -12.119 -18.287 -0.066 1.00 54.11 H new ATOM 0 HD2 PRO A 51 -14.568 -17.981 1.105 1.00 42.15 H new ATOM 0 HD3 PRO A 51 -13.808 -16.693 0.192 1.00 42.15 H new ATOM 834 N GLN A 52 -15.448 -20.595 -3.298 1.00 12.44 N ATOM 835 CA GLN A 52 -16.117 -21.919 -3.438 1.00 62.11 C ATOM 836 C GLN A 52 -15.172 -22.912 -4.116 1.00 73.10 C ATOM 837 O GLN A 52 -14.240 -22.527 -4.796 1.00 42.32 O ATOM 838 CB GLN A 52 -17.342 -21.656 -4.316 1.00 3.32 C ATOM 839 CG GLN A 52 -18.135 -20.477 -3.752 1.00 15.23 C ATOM 840 CD GLN A 52 -18.722 -20.860 -2.390 1.00 40.23 C ATOM 841 OE1 GLN A 52 -19.181 -21.970 -2.205 1.00 5.11 O ATOM 842 NE2 GLN A 52 -18.725 -19.981 -1.425 1.00 20.24 N ATOM 0 H GLN A 52 -15.013 -20.238 -4.149 1.00 12.44 H new ATOM 0 HA GLN A 52 -16.395 -22.348 -2.475 1.00 62.11 H new ATOM 0 HB2 GLN A 52 -17.030 -21.441 -5.338 1.00 3.32 H new ATOM 0 HB3 GLN A 52 -17.971 -22.545 -4.355 1.00 3.32 H new ATOM 0 HG2 GLN A 52 -17.488 -19.606 -3.649 1.00 15.23 H new ATOM 0 HG3 GLN A 52 -18.934 -20.201 -4.440 1.00 15.23 H new ATOM 0 HE21 GLN A 52 -18.339 -19.050 -1.582 1.00 20.24 H new ATOM 0 HE22 GLN A 52 -19.113 -20.225 -0.514 1.00 20.24 H new ATOM 851 N LEU A 53 -15.397 -24.181 -3.936 1.00 63.41 N ATOM 852 CA LEU A 53 -14.502 -25.188 -4.571 1.00 70.40 C ATOM 853 C LEU A 53 -14.954 -25.470 -6.006 1.00 71.14 C ATOM 854 O LEU A 53 -15.998 -26.046 -6.240 1.00 14.42 O ATOM 855 CB LEU A 53 -14.642 -26.440 -3.706 1.00 11.24 C ATOM 856 CG LEU A 53 -13.387 -27.301 -3.844 1.00 53.23 C ATOM 857 CD1 LEU A 53 -13.297 -27.842 -5.271 1.00 50.53 C ATOM 858 CD2 LEU A 53 -12.149 -26.454 -3.538 1.00 63.30 C ATOM 0 H LEU A 53 -16.160 -24.565 -3.378 1.00 63.41 H new ATOM 0 HA LEU A 53 -13.469 -24.846 -4.628 1.00 70.40 H new ATOM 0 HB2 LEU A 53 -14.790 -26.159 -2.663 1.00 11.24 H new ATOM 0 HB3 LEU A 53 -15.521 -27.008 -4.011 1.00 11.24 H new ATOM 0 HG LEU A 53 -13.438 -28.133 -3.142 1.00 53.23 H new ATOM 0 HD11 LEU A 53 -12.402 -28.456 -5.371 1.00 50.53 H new ATOM 0 HD12 LEU A 53 -14.178 -28.446 -5.487 1.00 50.53 H new ATOM 0 HD13 LEU A 53 -13.246 -27.010 -5.973 1.00 50.53 H new ATOM 0 HD21 LEU A 53 -11.254 -27.069 -3.637 1.00 63.30 H new ATOM 0 HD22 LEU A 53 -12.096 -25.621 -4.239 1.00 63.30 H new ATOM 0 HD23 LEU A 53 -12.214 -26.069 -2.520 1.00 63.30 H new ATOM 870 N ALA A 54 -14.171 -25.069 -6.970 1.00 71.40 N ATOM 871 CA ALA A 54 -14.549 -25.312 -8.392 1.00 32.25 C ATOM 872 C ALA A 54 -13.539 -26.256 -9.049 1.00 54.30 C ATOM 873 O ALA A 54 -13.891 -27.086 -9.863 1.00 1.41 O ATOM 874 CB ALA A 54 -14.503 -23.935 -9.054 1.00 13.02 C ATOM 0 H ALA A 54 -13.285 -24.583 -6.834 1.00 71.40 H new ATOM 0 HA ALA A 54 -15.530 -25.777 -8.487 1.00 32.25 H new ATOM 0 HB1 ALA A 54 -14.770 -24.028 -10.107 1.00 13.02 H new ATOM 0 HB2 ALA A 54 -15.209 -23.269 -8.558 1.00 13.02 H new ATOM 0 HB3 ALA A 54 -13.497 -23.524 -8.970 1.00 13.02 H new ATOM 880 N MET A 55 -12.287 -26.136 -8.702 1.00 14.45 N ATOM 881 CA MET A 55 -11.257 -27.028 -9.305 1.00 71.44 C ATOM 882 C MET A 55 -10.101 -27.231 -8.323 1.00 2.12 C ATOM 883 O MET A 55 -9.606 -26.295 -7.729 1.00 41.14 O ATOM 884 CB MET A 55 -10.772 -26.289 -10.556 1.00 71.01 C ATOM 885 CG MET A 55 -11.212 -27.056 -11.805 1.00 62.40 C ATOM 886 SD MET A 55 -11.682 -25.880 -13.099 1.00 60.14 S ATOM 887 CE MET A 55 -13.222 -26.693 -13.592 1.00 63.22 C ATOM 0 H MET A 55 -11.933 -25.459 -8.027 1.00 14.45 H new ATOM 0 HA MET A 55 -11.653 -28.015 -9.544 1.00 71.44 H new ATOM 0 HB2 MET A 55 -11.179 -25.278 -10.575 1.00 71.01 H new ATOM 0 HB3 MET A 55 -9.686 -26.195 -10.538 1.00 71.01 H new ATOM 0 HG2 MET A 55 -10.402 -27.696 -12.156 1.00 62.40 H new ATOM 0 HG3 MET A 55 -12.053 -27.708 -11.568 1.00 62.40 H new ATOM 0 HE1 MET A 55 -13.691 -26.126 -14.396 1.00 63.22 H new ATOM 0 HE2 MET A 55 -13.005 -27.703 -13.939 1.00 63.22 H new ATOM 0 HE3 MET A 55 -13.898 -26.740 -12.738 1.00 63.22 H new ATOM 897 N ILE A 56 -9.667 -28.450 -8.146 1.00 73.02 N ATOM 898 CA ILE A 56 -8.545 -28.713 -7.198 1.00 0.20 C ATOM 899 C ILE A 56 -7.276 -29.080 -7.972 1.00 64.34 C ATOM 900 O ILE A 56 -7.265 -29.997 -8.767 1.00 0.23 O ATOM 901 CB ILE A 56 -9.013 -29.896 -6.350 1.00 33.42 C ATOM 902 CG1 ILE A 56 -10.294 -29.514 -5.606 1.00 24.04 C ATOM 903 CG2 ILE A 56 -7.927 -30.257 -5.338 1.00 31.35 C ATOM 904 CD1 ILE A 56 -10.937 -30.771 -5.022 1.00 11.03 C ATOM 0 H ILE A 56 -10.040 -29.275 -8.616 1.00 73.02 H new ATOM 0 HA ILE A 56 -8.307 -27.842 -6.588 1.00 0.20 H new ATOM 0 HB ILE A 56 -9.208 -30.752 -6.996 1.00 33.42 H new ATOM 0 HG12 ILE A 56 -10.067 -28.805 -4.810 1.00 24.04 H new ATOM 0 HG13 ILE A 56 -10.988 -29.019 -6.285 1.00 24.04 H new ATOM 0 HG21 ILE A 56 -8.260 -31.100 -4.733 1.00 31.35 H new ATOM 0 HG22 ILE A 56 -7.013 -30.528 -5.866 1.00 31.35 H new ATOM 0 HG23 ILE A 56 -7.733 -29.401 -4.692 1.00 31.35 H new ATOM 0 HD11 ILE A 56 -11.850 -30.500 -4.492 1.00 11.03 H new ATOM 0 HD12 ILE A 56 -11.178 -31.464 -5.828 1.00 11.03 H new ATOM 0 HD13 ILE A 56 -10.243 -31.247 -4.329 1.00 11.03 H new ATOM 916 N LEU A 57 -6.206 -28.369 -7.739 1.00 50.10 N ATOM 917 CA LEU A 57 -4.937 -28.674 -8.456 1.00 52.24 C ATOM 918 C LEU A 57 -4.095 -29.662 -7.640 1.00 71.01 C ATOM 919 O LEU A 57 -3.796 -29.417 -6.488 1.00 72.11 O ATOM 920 CB LEU A 57 -4.228 -27.326 -8.577 1.00 31.21 C ATOM 921 CG LEU A 57 -3.005 -27.470 -9.481 1.00 64.11 C ATOM 922 CD1 LEU A 57 -3.257 -26.739 -10.799 1.00 22.04 C ATOM 923 CD2 LEU A 57 -1.785 -26.861 -8.788 1.00 61.23 C ATOM 0 H LEU A 57 -6.157 -27.590 -7.083 1.00 50.10 H new ATOM 0 HA LEU A 57 -5.105 -29.135 -9.429 1.00 52.24 H new ATOM 0 HB2 LEU A 57 -4.910 -26.581 -8.986 1.00 31.21 H new ATOM 0 HB3 LEU A 57 -3.925 -26.973 -7.591 1.00 31.21 H new ATOM 0 HG LEU A 57 -2.822 -28.526 -9.679 1.00 64.11 H new ATOM 0 HD11 LEU A 57 -2.385 -26.841 -11.444 1.00 22.04 H new ATOM 0 HD12 LEU A 57 -4.127 -27.170 -11.294 1.00 22.04 H new ATOM 0 HD13 LEU A 57 -3.439 -25.683 -10.600 1.00 22.04 H new ATOM 0 HD21 LEU A 57 -0.912 -26.963 -9.432 1.00 61.23 H new ATOM 0 HD22 LEU A 57 -1.968 -25.805 -8.590 1.00 61.23 H new ATOM 0 HD23 LEU A 57 -1.604 -27.380 -7.847 1.00 61.23 H new ATOM 935 N PRO A 58 -3.745 -30.752 -8.269 1.00 32.52 N ATOM 936 CA PRO A 58 -2.935 -31.795 -7.595 1.00 74.14 C ATOM 937 C PRO A 58 -1.480 -31.337 -7.435 1.00 12.14 C ATOM 938 O PRO A 58 -1.135 -30.213 -7.741 1.00 52.34 O ATOM 939 CB PRO A 58 -3.023 -32.985 -8.547 1.00 41.43 C ATOM 940 CG PRO A 58 -3.308 -32.390 -9.889 1.00 71.11 C ATOM 941 CD PRO A 58 -4.067 -31.110 -9.653 1.00 22.30 C ATOM 0 HA PRO A 58 -3.291 -32.025 -6.590 1.00 74.14 H new ATOM 0 HB2 PRO A 58 -2.092 -33.552 -8.557 1.00 41.43 H new ATOM 0 HB3 PRO A 58 -3.812 -33.674 -8.245 1.00 41.43 H new ATOM 0 HG2 PRO A 58 -2.381 -32.195 -10.429 1.00 71.11 H new ATOM 0 HG3 PRO A 58 -3.893 -33.078 -10.499 1.00 71.11 H new ATOM 0 HD2 PRO A 58 -3.758 -30.330 -10.349 1.00 22.30 H new ATOM 0 HD3 PRO A 58 -5.139 -31.252 -9.789 1.00 22.30 H new ATOM 949 N LEU A 59 -0.627 -32.206 -6.959 1.00 64.21 N ATOM 950 CA LEU A 59 0.807 -31.832 -6.781 1.00 25.11 C ATOM 951 C LEU A 59 1.687 -32.692 -7.687 1.00 31.41 C ATOM 952 O LEU A 59 2.513 -33.455 -7.225 1.00 51.15 O ATOM 953 CB LEU A 59 1.133 -32.112 -5.309 1.00 3.51 C ATOM 954 CG LEU A 59 0.397 -33.369 -4.826 1.00 72.11 C ATOM 955 CD1 LEU A 59 0.808 -34.574 -5.675 1.00 60.24 C ATOM 956 CD2 LEU A 59 0.760 -33.635 -3.363 1.00 75.12 C ATOM 0 H LEU A 59 -0.862 -33.160 -6.685 1.00 64.21 H new ATOM 0 HA LEU A 59 0.987 -30.789 -7.040 1.00 25.11 H new ATOM 0 HB2 LEU A 59 2.208 -32.243 -5.187 1.00 3.51 H new ATOM 0 HB3 LEU A 59 0.845 -31.257 -4.697 1.00 3.51 H new ATOM 0 HG LEU A 59 -0.678 -33.214 -4.920 1.00 72.11 H new ATOM 0 HD11 LEU A 59 0.281 -35.462 -5.326 1.00 60.24 H new ATOM 0 HD12 LEU A 59 0.553 -34.388 -6.718 1.00 60.24 H new ATOM 0 HD13 LEU A 59 1.883 -34.732 -5.587 1.00 60.24 H new ATOM 0 HD21 LEU A 59 0.239 -34.527 -3.015 1.00 75.12 H new ATOM 0 HD22 LEU A 59 1.836 -33.786 -3.277 1.00 75.12 H new ATOM 0 HD23 LEU A 59 0.463 -32.781 -2.754 1.00 75.12 H new ATOM 968 N ASP A 60 1.516 -32.582 -8.971 1.00 21.40 N ATOM 969 CA ASP A 60 2.339 -33.406 -9.898 1.00 24.03 C ATOM 970 C ASP A 60 3.327 -32.522 -10.672 1.00 70.03 C ATOM 971 O ASP A 60 4.525 -32.626 -10.500 1.00 61.42 O ATOM 972 CB ASP A 60 1.321 -34.049 -10.839 1.00 74.21 C ATOM 973 CG ASP A 60 1.981 -35.205 -11.592 1.00 1.01 C ATOM 974 OD1 ASP A 60 2.986 -35.702 -11.113 1.00 71.20 O ATOM 975 OD2 ASP A 60 1.467 -35.574 -12.636 1.00 31.53 O ATOM 0 H ASP A 60 0.844 -31.959 -9.420 1.00 21.40 H new ATOM 0 HA ASP A 60 2.942 -34.149 -9.377 1.00 24.03 H new ATOM 0 HB2 ASP A 60 0.464 -34.413 -10.271 1.00 74.21 H new ATOM 0 HB3 ASP A 60 0.945 -33.309 -11.545 1.00 74.21 H new ATOM 980 N GLY A 61 2.840 -31.658 -11.519 1.00 21.53 N ATOM 981 CA GLY A 61 3.764 -30.779 -12.293 1.00 10.14 C ATOM 982 C GLY A 61 3.038 -30.209 -13.511 1.00 62.34 C ATOM 983 O GLY A 61 3.358 -29.143 -13.994 1.00 65.15 O ATOM 0 H GLY A 61 1.847 -31.522 -11.709 1.00 21.53 H new ATOM 0 HA2 GLY A 61 4.124 -29.968 -11.660 1.00 10.14 H new ATOM 0 HA3 GLY A 61 4.638 -31.346 -12.612 1.00 10.14 H new ATOM 987 N ARG A 62 2.059 -30.912 -14.011 1.00 31.24 N ATOM 988 CA ARG A 62 1.315 -30.407 -15.199 1.00 41.41 C ATOM 989 C ARG A 62 0.120 -29.562 -14.752 1.00 21.12 C ATOM 990 O ARG A 62 -0.990 -30.042 -14.653 1.00 3.21 O ATOM 991 CB ARG A 62 0.838 -31.663 -15.931 1.00 21.32 C ATOM 992 CG ARG A 62 1.605 -31.809 -17.248 1.00 54.15 C ATOM 993 CD ARG A 62 3.103 -31.634 -16.989 1.00 30.15 C ATOM 994 NE ARG A 62 3.760 -32.691 -17.807 1.00 1.04 N ATOM 995 CZ ARG A 62 3.611 -33.948 -17.491 1.00 23.23 C ATOM 996 NH1 ARG A 62 4.017 -34.382 -16.329 1.00 63.14 N ATOM 997 NH2 ARG A 62 3.056 -34.770 -18.337 1.00 50.15 N ATOM 0 H ARG A 62 1.743 -31.812 -13.649 1.00 31.24 H new ATOM 0 HA ARG A 62 1.933 -29.774 -15.836 1.00 41.41 H new ATOM 0 HB2 ARG A 62 0.996 -32.543 -15.307 1.00 21.32 H new ATOM 0 HB3 ARG A 62 -0.232 -31.598 -16.126 1.00 21.32 H new ATOM 0 HG2 ARG A 62 1.413 -32.788 -17.686 1.00 54.15 H new ATOM 0 HG3 ARG A 62 1.260 -31.065 -17.966 1.00 54.15 H new ATOM 0 HD2 ARG A 62 3.441 -30.640 -17.283 1.00 30.15 H new ATOM 0 HD3 ARG A 62 3.337 -31.751 -15.931 1.00 30.15 H new ATOM 0 HE ARG A 62 4.327 -32.432 -18.615 1.00 1.04 H new ATOM 0 HH11 ARG A 62 4.451 -33.738 -15.667 1.00 63.14 H new ATOM 0 HH12 ARG A 62 3.900 -35.365 -16.082 1.00 63.14 H new ATOM 0 HH21 ARG A 62 2.739 -34.430 -19.245 1.00 50.15 H new ATOM 0 HH22 ARG A 62 2.939 -35.753 -18.091 1.00 50.15 H new ATOM 1011 N LYS A 63 0.341 -28.305 -14.485 1.00 64.30 N ATOM 1012 CA LYS A 63 -0.782 -27.428 -14.043 1.00 12.22 C ATOM 1013 C LYS A 63 -0.914 -26.225 -14.979 1.00 3.11 C ATOM 1014 O LYS A 63 -0.175 -25.264 -14.880 1.00 24.20 O ATOM 1015 CB LYS A 63 -0.400 -26.973 -12.634 1.00 63.45 C ATOM 1016 CG LYS A 63 -0.355 -28.184 -11.701 1.00 11.55 C ATOM 1017 CD LYS A 63 1.053 -28.780 -11.704 1.00 43.11 C ATOM 1018 CE LYS A 63 1.676 -28.642 -10.314 1.00 52.40 C ATOM 1019 NZ LYS A 63 2.626 -27.500 -10.428 1.00 73.11 N ATOM 0 H LYS A 63 1.249 -27.846 -14.553 1.00 64.30 H new ATOM 0 HA LYS A 63 -1.740 -27.947 -14.057 1.00 12.22 H new ATOM 0 HB2 LYS A 63 0.571 -26.478 -12.651 1.00 63.45 H new ATOM 0 HB3 LYS A 63 -1.123 -26.245 -12.267 1.00 63.45 H new ATOM 0 HG2 LYS A 63 -0.633 -27.887 -10.690 1.00 11.55 H new ATOM 0 HG3 LYS A 63 -1.079 -28.932 -12.024 1.00 11.55 H new ATOM 0 HD2 LYS A 63 1.013 -29.830 -11.992 1.00 43.11 H new ATOM 0 HD3 LYS A 63 1.672 -28.271 -12.442 1.00 43.11 H new ATOM 0 HE2 LYS A 63 0.915 -28.448 -9.558 1.00 52.40 H new ATOM 0 HE3 LYS A 63 2.192 -29.556 -10.020 1.00 52.40 H new ATOM 0 HZ1 LYS A 63 3.043 -27.301 -9.496 1.00 73.11 H new ATOM 0 HZ2 LYS A 63 3.382 -27.743 -11.100 1.00 73.11 H new ATOM 0 HZ3 LYS A 63 2.118 -26.658 -10.767 1.00 73.11 H new ATOM 1033 N LYS A 64 -1.852 -26.266 -15.887 1.00 14.44 N ATOM 1034 CA LYS A 64 -2.032 -25.121 -16.828 1.00 61.01 C ATOM 1035 C LYS A 64 -3.397 -24.463 -16.601 1.00 13.41 C ATOM 1036 O LYS A 64 -4.415 -25.125 -16.560 1.00 3.42 O ATOM 1037 CB LYS A 64 -1.963 -25.738 -18.226 1.00 23.22 C ATOM 1038 CG LYS A 64 -0.577 -26.344 -18.454 1.00 64.31 C ATOM 1039 CD LYS A 64 -0.233 -26.283 -19.946 1.00 51.02 C ATOM 1040 CE LYS A 64 -0.233 -27.698 -20.530 1.00 2.33 C ATOM 1041 NZ LYS A 64 -0.159 -27.515 -22.010 1.00 61.22 N ATOM 0 H LYS A 64 -2.501 -27.042 -16.018 1.00 14.44 H new ATOM 0 HA LYS A 64 -1.276 -24.349 -16.687 1.00 61.01 H new ATOM 0 HB2 LYS A 64 -2.729 -26.506 -18.333 1.00 23.22 H new ATOM 0 HB3 LYS A 64 -2.167 -24.978 -18.980 1.00 23.22 H new ATOM 0 HG2 LYS A 64 0.169 -25.800 -17.875 1.00 64.31 H new ATOM 0 HG3 LYS A 64 -0.558 -27.377 -18.107 1.00 64.31 H new ATOM 0 HD2 LYS A 64 -0.958 -25.661 -20.472 1.00 51.02 H new ATOM 0 HD3 LYS A 64 0.744 -25.821 -20.086 1.00 51.02 H new ATOM 0 HE2 LYS A 64 0.616 -28.275 -20.162 1.00 2.33 H new ATOM 0 HE3 LYS A 64 -1.135 -28.241 -20.246 1.00 2.33 H new ATOM 0 HZ1 LYS A 64 -0.155 -28.445 -22.475 1.00 61.22 H new ATOM 0 HZ2 LYS A 64 -0.983 -26.969 -22.334 1.00 61.22 H new ATOM 0 HZ3 LYS A 64 0.713 -27.003 -22.253 1.00 61.22 H new ATOM 1055 N LEU A 65 -3.425 -23.168 -16.455 1.00 62.21 N ATOM 1056 CA LEU A 65 -4.726 -22.475 -16.230 1.00 53.11 C ATOM 1057 C LEU A 65 -4.878 -21.297 -17.198 1.00 1.14 C ATOM 1058 O LEU A 65 -4.007 -20.457 -17.310 1.00 64.12 O ATOM 1059 CB LEU A 65 -4.668 -21.981 -14.786 1.00 75.11 C ATOM 1060 CG LEU A 65 -4.643 -23.181 -13.839 1.00 4.03 C ATOM 1061 CD1 LEU A 65 -4.273 -22.717 -12.431 1.00 34.12 C ATOM 1062 CD2 LEU A 65 -6.029 -23.834 -13.810 1.00 70.01 C ATOM 0 H LEU A 65 -2.606 -22.560 -16.481 1.00 62.21 H new ATOM 0 HA LEU A 65 -5.578 -23.134 -16.401 1.00 53.11 H new ATOM 0 HB2 LEU A 65 -3.780 -21.367 -14.636 1.00 75.11 H new ATOM 0 HB3 LEU A 65 -5.531 -21.352 -14.570 1.00 75.11 H new ATOM 0 HG LEU A 65 -3.904 -23.902 -14.188 1.00 4.03 H new ATOM 0 HD11 LEU A 65 -4.256 -23.574 -11.758 1.00 34.12 H new ATOM 0 HD12 LEU A 65 -3.288 -22.250 -12.449 1.00 34.12 H new ATOM 0 HD13 LEU A 65 -5.011 -21.995 -12.080 1.00 34.12 H new ATOM 0 HD21 LEU A 65 -6.014 -24.690 -13.135 1.00 70.01 H new ATOM 0 HD22 LEU A 65 -6.765 -23.110 -13.461 1.00 70.01 H new ATOM 0 HD23 LEU A 65 -6.295 -24.167 -14.813 1.00 70.01 H new ATOM 1074 N VAL A 66 -5.980 -21.226 -17.893 1.00 2.33 N ATOM 1075 CA VAL A 66 -6.191 -20.100 -18.847 1.00 42.42 C ATOM 1076 C VAL A 66 -6.608 -18.839 -18.087 1.00 1.40 C ATOM 1077 O VAL A 66 -6.899 -17.816 -18.674 1.00 62.35 O ATOM 1078 CB VAL A 66 -7.316 -20.568 -19.770 1.00 44.32 C ATOM 1079 CG1 VAL A 66 -6.927 -21.901 -20.409 1.00 32.53 C ATOM 1080 CG2 VAL A 66 -8.601 -20.751 -18.958 1.00 21.43 C ATOM 0 H VAL A 66 -6.744 -21.900 -17.842 1.00 2.33 H new ATOM 0 HA VAL A 66 -5.287 -19.852 -19.403 1.00 42.42 H new ATOM 0 HB VAL A 66 -7.480 -19.823 -20.548 1.00 44.32 H new ATOM 0 HG11 VAL A 66 -7.728 -22.236 -21.068 1.00 32.53 H new ATOM 0 HG12 VAL A 66 -6.011 -21.774 -20.987 1.00 32.53 H new ATOM 0 HG13 VAL A 66 -6.764 -22.644 -19.629 1.00 32.53 H new ATOM 0 HG21 VAL A 66 -9.403 -21.085 -19.616 1.00 21.43 H new ATOM 0 HG22 VAL A 66 -8.437 -21.496 -18.180 1.00 21.43 H new ATOM 0 HG23 VAL A 66 -8.879 -19.802 -18.499 1.00 21.43 H new ATOM 1090 N ASN A 67 -6.636 -18.902 -16.782 1.00 14.12 N ATOM 1091 CA ASN A 67 -7.033 -17.707 -15.985 1.00 75.22 C ATOM 1092 C ASN A 67 -5.819 -17.137 -15.244 1.00 42.31 C ATOM 1093 O ASN A 67 -5.434 -16.002 -15.445 1.00 42.33 O ATOM 1094 CB ASN A 67 -8.075 -18.220 -14.991 1.00 1.14 C ATOM 1095 CG ASN A 67 -9.275 -18.783 -15.756 1.00 24.22 C ATOM 1096 OD1 ASN A 67 -9.459 -18.491 -16.920 1.00 51.11 O ATOM 1097 ND2 ASN A 67 -10.107 -19.579 -15.143 1.00 14.23 N ATOM 0 H ASN A 67 -6.401 -19.730 -16.235 1.00 14.12 H new ATOM 0 HA ASN A 67 -7.427 -16.907 -16.611 1.00 75.22 H new ATOM 0 HB2 ASN A 67 -7.639 -18.992 -14.357 1.00 1.14 H new ATOM 0 HB3 ASN A 67 -8.396 -17.412 -14.334 1.00 1.14 H new ATOM 0 HD21 ASN A 67 -10.913 -19.957 -15.642 1.00 14.23 H new ATOM 0 HD22 ASN A 67 -9.952 -19.824 -14.165 1.00 14.23 H new ATOM 1104 N ALA A 68 -5.208 -17.915 -14.392 1.00 62.35 N ATOM 1105 CA ALA A 68 -4.021 -17.416 -13.643 1.00 22.42 C ATOM 1106 C ALA A 68 -2.820 -18.330 -13.881 1.00 0.30 C ATOM 1107 O ALA A 68 -2.966 -19.498 -14.180 1.00 13.20 O ATOM 1108 CB ALA A 68 -4.436 -17.444 -12.173 1.00 53.24 C ATOM 0 H ALA A 68 -5.480 -18.875 -14.183 1.00 62.35 H new ATOM 0 HA ALA A 68 -3.724 -16.417 -13.962 1.00 22.42 H new ATOM 0 HB1 ALA A 68 -3.611 -17.089 -11.555 1.00 53.24 H new ATOM 0 HB2 ALA A 68 -5.302 -16.799 -12.027 1.00 53.24 H new ATOM 0 HB3 ALA A 68 -4.691 -18.464 -11.886 1.00 53.24 H new ATOM 1114 N ASP A 69 -1.633 -17.807 -13.751 1.00 70.30 N ATOM 1115 CA ASP A 69 -0.424 -18.649 -13.967 1.00 61.22 C ATOM 1116 C ASP A 69 0.011 -19.284 -12.647 1.00 23.12 C ATOM 1117 O ASP A 69 0.482 -18.616 -11.748 1.00 62.13 O ATOM 1118 CB ASP A 69 0.644 -17.685 -14.481 1.00 62.42 C ATOM 1119 CG ASP A 69 0.247 -17.170 -15.865 1.00 41.43 C ATOM 1120 OD1 ASP A 69 -0.106 -17.987 -16.701 1.00 13.03 O ATOM 1121 OD2 ASP A 69 0.298 -15.968 -16.067 1.00 62.11 O ATOM 0 H ASP A 69 -1.448 -16.835 -13.505 1.00 70.30 H new ATOM 0 HA ASP A 69 -0.603 -19.464 -14.669 1.00 61.22 H new ATOM 0 HB2 ASP A 69 0.757 -16.850 -13.790 1.00 62.42 H new ATOM 0 HB3 ASP A 69 1.609 -18.189 -14.533 1.00 62.42 H new ATOM 1126 N ILE A 70 -0.148 -20.568 -12.526 1.00 12.14 N ATOM 1127 CA ILE A 70 0.249 -21.257 -11.265 1.00 43.22 C ATOM 1128 C ILE A 70 1.601 -20.719 -10.776 1.00 23.01 C ATOM 1129 O ILE A 70 1.901 -20.742 -9.598 1.00 34.13 O ATOM 1130 CB ILE A 70 0.317 -22.753 -11.637 1.00 71.41 C ATOM 1131 CG1 ILE A 70 -0.312 -23.579 -10.513 1.00 34.11 C ATOM 1132 CG2 ILE A 70 1.769 -23.203 -11.845 1.00 5.43 C ATOM 1133 CD1 ILE A 70 0.484 -23.375 -9.223 1.00 1.40 C ATOM 0 H ILE A 70 -0.537 -21.175 -13.247 1.00 12.14 H new ATOM 0 HA ILE A 70 -0.452 -21.090 -10.447 1.00 43.22 H new ATOM 0 HB ILE A 70 -0.228 -22.904 -12.569 1.00 71.41 H new ATOM 0 HG12 ILE A 70 -1.349 -23.279 -10.364 1.00 34.11 H new ATOM 0 HG13 ILE A 70 -0.321 -24.635 -10.784 1.00 34.11 H new ATOM 0 HG21 ILE A 70 1.788 -24.261 -12.106 1.00 5.43 H new ATOM 0 HG22 ILE A 70 2.218 -22.622 -12.651 1.00 5.43 H new ATOM 0 HG23 ILE A 70 2.334 -23.046 -10.926 1.00 5.43 H new ATOM 0 HD11 ILE A 70 0.036 -23.963 -8.422 1.00 1.40 H new ATOM 0 HD12 ILE A 70 1.514 -23.696 -9.377 1.00 1.40 H new ATOM 0 HD13 ILE A 70 0.470 -22.320 -8.950 1.00 1.40 H new ATOM 1145 N GLU A 71 2.417 -20.236 -11.673 1.00 64.14 N ATOM 1146 CA GLU A 71 3.745 -19.697 -11.259 1.00 34.31 C ATOM 1147 C GLU A 71 3.561 -18.377 -10.508 1.00 62.50 C ATOM 1148 O GLU A 71 4.148 -18.155 -9.466 1.00 63.31 O ATOM 1149 CB GLU A 71 4.510 -19.472 -12.563 1.00 63.14 C ATOM 1150 CG GLU A 71 4.543 -20.771 -13.369 1.00 63.15 C ATOM 1151 CD GLU A 71 5.780 -20.778 -14.274 1.00 71.12 C ATOM 1152 OE1 GLU A 71 5.858 -19.929 -15.143 1.00 13.12 O ATOM 1153 OE2 GLU A 71 6.625 -21.637 -14.077 1.00 33.41 O ATOM 0 H GLU A 71 2.222 -20.191 -12.673 1.00 64.14 H new ATOM 0 HA GLU A 71 4.277 -20.374 -10.591 1.00 34.31 H new ATOM 0 HB2 GLU A 71 4.033 -18.683 -13.145 1.00 63.14 H new ATOM 0 HB3 GLU A 71 5.526 -19.140 -12.348 1.00 63.14 H new ATOM 0 HG2 GLU A 71 4.566 -21.629 -12.697 1.00 63.15 H new ATOM 0 HG3 GLU A 71 3.638 -20.862 -13.970 1.00 63.15 H new ATOM 1160 N LYS A 72 2.751 -17.499 -11.032 1.00 24.10 N ATOM 1161 CA LYS A 72 2.526 -16.193 -10.351 1.00 50.33 C ATOM 1162 C LYS A 72 1.892 -16.418 -8.976 1.00 70.01 C ATOM 1163 O LYS A 72 1.843 -15.527 -8.152 1.00 13.52 O ATOM 1164 CB LYS A 72 1.562 -15.437 -11.265 1.00 42.21 C ATOM 1165 CG LYS A 72 2.351 -14.484 -12.161 1.00 42.31 C ATOM 1166 CD LYS A 72 2.138 -13.047 -11.686 1.00 21.34 C ATOM 1167 CE LYS A 72 3.354 -12.590 -10.876 1.00 10.32 C ATOM 1168 NZ LYS A 72 2.880 -12.536 -9.465 1.00 32.02 N ATOM 0 H LYS A 72 2.235 -17.629 -11.902 1.00 24.10 H new ATOM 0 HA LYS A 72 3.454 -15.644 -10.188 1.00 50.33 H new ATOM 0 HB2 LYS A 72 0.995 -16.140 -11.875 1.00 42.21 H new ATOM 0 HB3 LYS A 72 0.841 -14.879 -10.668 1.00 42.21 H new ATOM 0 HG2 LYS A 72 3.411 -14.735 -12.132 1.00 42.31 H new ATOM 0 HG3 LYS A 72 2.027 -14.588 -13.196 1.00 42.31 H new ATOM 0 HD2 LYS A 72 1.990 -12.388 -12.542 1.00 21.34 H new ATOM 0 HD3 LYS A 72 1.237 -12.984 -11.076 1.00 21.34 H new ATOM 0 HE2 LYS A 72 4.186 -13.286 -10.986 1.00 10.32 H new ATOM 0 HE3 LYS A 72 3.707 -11.615 -11.211 1.00 10.32 H new ATOM 0 HZ1 LYS A 72 3.660 -12.230 -8.848 1.00 32.02 H new ATOM 0 HZ2 LYS A 72 2.093 -11.861 -9.389 1.00 32.02 H new ATOM 0 HZ3 LYS A 72 2.556 -13.480 -9.171 1.00 32.02 H new ATOM 1182 N VAL A 73 1.407 -17.603 -8.725 1.00 31.45 N ATOM 1183 CA VAL A 73 0.777 -17.883 -7.406 1.00 32.42 C ATOM 1184 C VAL A 73 1.816 -18.449 -6.432 1.00 42.14 C ATOM 1185 O VAL A 73 1.670 -18.357 -5.229 1.00 3.32 O ATOM 1186 CB VAL A 73 -0.304 -18.924 -7.700 1.00 21.42 C ATOM 1187 CG1 VAL A 73 -1.127 -19.175 -6.437 1.00 51.13 C ATOM 1188 CG2 VAL A 73 -1.222 -18.404 -8.812 1.00 71.03 C ATOM 0 H VAL A 73 1.420 -18.388 -9.376 1.00 31.45 H new ATOM 0 HA VAL A 73 0.366 -16.985 -6.945 1.00 32.42 H new ATOM 0 HB VAL A 73 0.164 -19.855 -8.019 1.00 21.42 H new ATOM 0 HG11 VAL A 73 -1.898 -19.917 -6.646 1.00 51.13 H new ATOM 0 HG12 VAL A 73 -0.475 -19.543 -5.645 1.00 51.13 H new ATOM 0 HG13 VAL A 73 -1.596 -18.245 -6.118 1.00 51.13 H new ATOM 0 HG21 VAL A 73 -1.993 -19.145 -9.023 1.00 71.03 H new ATOM 0 HG22 VAL A 73 -1.690 -17.473 -8.492 1.00 71.03 H new ATOM 0 HG23 VAL A 73 -0.636 -18.224 -9.713 1.00 71.03 H new ATOM 1198 N LYS A 74 2.866 -19.033 -6.943 1.00 2.23 N ATOM 1199 CA LYS A 74 3.913 -19.606 -6.049 1.00 41.21 C ATOM 1200 C LYS A 74 4.419 -18.547 -5.067 1.00 34.11 C ATOM 1201 O LYS A 74 4.440 -18.755 -3.869 1.00 20.35 O ATOM 1202 CB LYS A 74 5.037 -20.042 -6.988 1.00 55.12 C ATOM 1203 CG LYS A 74 4.535 -21.167 -7.894 1.00 64.05 C ATOM 1204 CD LYS A 74 4.620 -22.498 -7.146 1.00 13.22 C ATOM 1205 CE LYS A 74 3.223 -23.117 -7.051 1.00 61.31 C ATOM 1206 NZ LYS A 74 3.464 -24.577 -6.873 1.00 70.25 N ATOM 0 H LYS A 74 3.044 -19.138 -7.942 1.00 2.23 H new ATOM 0 HA LYS A 74 3.532 -20.433 -5.450 1.00 41.21 H new ATOM 0 HB2 LYS A 74 5.371 -19.197 -7.590 1.00 55.12 H new ATOM 0 HB3 LYS A 74 5.897 -20.382 -6.411 1.00 55.12 H new ATOM 0 HG2 LYS A 74 3.506 -20.973 -8.197 1.00 64.05 H new ATOM 0 HG3 LYS A 74 5.133 -21.210 -8.804 1.00 64.05 H new ATOM 0 HD2 LYS A 74 5.296 -23.177 -7.665 1.00 13.22 H new ATOM 0 HD3 LYS A 74 5.029 -22.342 -6.148 1.00 13.22 H new ATOM 0 HE2 LYS A 74 2.663 -22.703 -6.212 1.00 61.31 H new ATOM 0 HE3 LYS A 74 2.641 -22.919 -7.951 1.00 61.31 H new ATOM 0 HZ1 LYS A 74 3.209 -25.080 -7.747 1.00 70.25 H new ATOM 0 HZ2 LYS A 74 4.469 -24.740 -6.660 1.00 70.25 H new ATOM 0 HZ3 LYS A 74 2.882 -24.932 -6.087 1.00 70.25 H new ATOM 1220 N GLN A 75 4.834 -17.413 -5.563 1.00 72.20 N ATOM 1221 CA GLN A 75 5.349 -16.346 -4.658 1.00 52.04 C ATOM 1222 C GLN A 75 4.240 -15.848 -3.730 1.00 63.13 C ATOM 1223 O GLN A 75 4.491 -15.158 -2.762 1.00 44.10 O ATOM 1224 CB GLN A 75 5.815 -15.225 -5.588 1.00 74.10 C ATOM 1225 CG GLN A 75 4.638 -14.744 -6.442 1.00 12.01 C ATOM 1226 CD GLN A 75 3.854 -13.673 -5.681 1.00 74.01 C ATOM 1227 OE1 GLN A 75 4.397 -12.646 -5.324 1.00 11.25 O ATOM 1228 NE2 GLN A 75 2.594 -13.872 -5.414 1.00 22.02 N ATOM 0 H GLN A 75 4.839 -17.179 -6.556 1.00 72.20 H new ATOM 0 HA GLN A 75 6.154 -16.707 -4.018 1.00 52.04 H new ATOM 0 HB2 GLN A 75 6.216 -14.397 -5.004 1.00 74.10 H new ATOM 0 HB3 GLN A 75 6.621 -15.582 -6.229 1.00 74.10 H new ATOM 0 HG2 GLN A 75 5.002 -14.340 -7.386 1.00 12.01 H new ATOM 0 HG3 GLN A 75 3.985 -15.583 -6.685 1.00 12.01 H new ATOM 0 HE21 GLN A 75 2.139 -14.734 -5.714 1.00 22.02 H new ATOM 0 HE22 GLN A 75 2.063 -13.165 -4.905 1.00 22.02 H new ATOM 1237 N ALA A 76 3.015 -16.193 -4.012 1.00 60.15 N ATOM 1238 CA ALA A 76 1.896 -15.737 -3.139 1.00 52.21 C ATOM 1239 C ALA A 76 1.606 -16.786 -2.064 1.00 21.41 C ATOM 1240 O ALA A 76 1.439 -16.468 -0.904 1.00 73.23 O ATOM 1241 CB ALA A 76 0.698 -15.585 -4.073 1.00 64.32 C ATOM 0 H ALA A 76 2.740 -16.770 -4.807 1.00 60.15 H new ATOM 0 HA ALA A 76 2.129 -14.806 -2.623 1.00 52.21 H new ATOM 0 HB1 ALA A 76 -0.168 -15.251 -3.502 1.00 64.32 H new ATOM 0 HB2 ALA A 76 0.929 -14.851 -4.845 1.00 64.32 H new ATOM 0 HB3 ALA A 76 0.477 -16.545 -4.540 1.00 64.32 H new ATOM 1247 N LEU A 77 1.545 -18.035 -2.441 1.00 1.35 N ATOM 1248 CA LEU A 77 1.268 -19.096 -1.432 1.00 51.23 C ATOM 1249 C LEU A 77 2.513 -19.346 -0.579 1.00 53.35 C ATOM 1250 O LEU A 77 2.435 -19.862 0.516 1.00 15.31 O ATOM 1251 CB LEU A 77 0.914 -20.342 -2.247 1.00 32.15 C ATOM 1252 CG LEU A 77 -0.160 -19.991 -3.277 1.00 61.13 C ATOM 1253 CD1 LEU A 77 -0.660 -21.271 -3.949 1.00 52.31 C ATOM 1254 CD2 LEU A 77 -1.328 -19.294 -2.576 1.00 32.11 C ATOM 0 H LEU A 77 1.674 -18.364 -3.398 1.00 1.35 H new ATOM 0 HA LEU A 77 0.464 -18.818 -0.750 1.00 51.23 H new ATOM 0 HB2 LEU A 77 1.802 -20.726 -2.749 1.00 32.15 H new ATOM 0 HB3 LEU A 77 0.555 -21.131 -1.587 1.00 32.15 H new ATOM 0 HG LEU A 77 0.262 -19.326 -4.031 1.00 61.13 H new ATOM 0 HD11 LEU A 77 -1.426 -21.021 -4.683 1.00 52.31 H new ATOM 0 HD12 LEU A 77 0.172 -21.769 -4.447 1.00 52.31 H new ATOM 0 HD13 LEU A 77 -1.083 -21.936 -3.196 1.00 52.31 H new ATOM 0 HD21 LEU A 77 -2.095 -19.043 -3.309 1.00 32.11 H new ATOM 0 HD22 LEU A 77 -1.750 -19.960 -1.823 1.00 32.11 H new ATOM 0 HD23 LEU A 77 -0.973 -18.382 -2.096 1.00 32.11 H new ATOM 1266 N THR A 78 3.663 -18.971 -1.072 1.00 22.22 N ATOM 1267 CA THR A 78 4.910 -19.178 -0.283 1.00 51.33 C ATOM 1268 C THR A 78 5.165 -17.965 0.615 1.00 41.51 C ATOM 1269 O THR A 78 5.766 -18.072 1.665 1.00 34.11 O ATOM 1270 CB THR A 78 6.025 -19.325 -1.320 1.00 0.41 C ATOM 1271 OG1 THR A 78 7.187 -19.844 -0.689 1.00 63.14 O ATOM 1272 CG2 THR A 78 6.344 -17.960 -1.935 1.00 54.12 C ATOM 0 H THR A 78 3.792 -18.532 -1.984 1.00 22.22 H new ATOM 0 HA THR A 78 4.849 -20.052 0.366 1.00 51.33 H new ATOM 0 HB THR A 78 5.700 -20.005 -2.107 1.00 0.41 H new ATOM 0 HG1 THR A 78 7.903 -19.941 -1.351 1.00 63.14 H new ATOM 0 HG21 THR A 78 7.139 -18.070 -2.673 1.00 54.12 H new ATOM 0 HG22 THR A 78 5.452 -17.562 -2.419 1.00 54.12 H new ATOM 0 HG23 THR A 78 6.669 -17.275 -1.152 1.00 54.12 H new ATOM 1280 N GLU A 79 4.707 -16.813 0.208 1.00 50.12 N ATOM 1281 CA GLU A 79 4.917 -15.593 1.038 1.00 14.12 C ATOM 1282 C GLU A 79 3.689 -15.337 1.919 1.00 21.14 C ATOM 1283 O GLU A 79 3.808 -15.017 3.086 1.00 61.33 O ATOM 1284 CB GLU A 79 5.100 -14.457 0.031 1.00 34.13 C ATOM 1285 CG GLU A 79 6.480 -14.569 -0.622 1.00 72.24 C ATOM 1286 CD GLU A 79 7.479 -13.706 0.150 1.00 31.11 C ATOM 1287 OE1 GLU A 79 7.666 -13.956 1.330 1.00 74.00 O ATOM 1288 OE2 GLU A 79 8.044 -12.806 -0.453 1.00 42.31 O ATOM 0 H GLU A 79 4.197 -16.664 -0.663 1.00 50.12 H new ATOM 0 HA GLU A 79 5.774 -15.688 1.705 1.00 14.12 H new ATOM 0 HB2 GLU A 79 4.321 -14.503 -0.730 1.00 34.13 H new ATOM 0 HB3 GLU A 79 5.000 -13.494 0.531 1.00 34.13 H new ATOM 0 HG2 GLU A 79 6.809 -15.608 -0.627 1.00 72.24 H new ATOM 0 HG3 GLU A 79 6.430 -14.245 -1.662 1.00 72.24 H new ATOM 1295 N GLN A 80 2.514 -15.482 1.371 1.00 40.21 N ATOM 1296 CA GLN A 80 1.280 -15.253 2.178 1.00 23.32 C ATOM 1297 C GLN A 80 0.553 -16.579 2.396 1.00 14.13 C ATOM 1298 O GLN A 80 0.221 -16.948 3.504 1.00 32.53 O ATOM 1299 CB GLN A 80 0.401 -14.311 1.345 1.00 1.11 C ATOM 1300 CG GLN A 80 1.253 -13.246 0.647 1.00 21.20 C ATOM 1301 CD GLN A 80 0.481 -12.690 -0.549 1.00 63.41 C ATOM 1302 OE1 GLN A 80 0.400 -11.493 -0.735 1.00 11.22 O ATOM 1303 NE2 GLN A 80 -0.098 -13.519 -1.376 1.00 71.32 N ATOM 0 H GLN A 80 2.354 -15.749 0.400 1.00 40.21 H new ATOM 0 HA GLN A 80 1.510 -14.830 3.156 1.00 23.32 H new ATOM 0 HB2 GLN A 80 -0.152 -14.885 0.602 1.00 1.11 H new ATOM 0 HB3 GLN A 80 -0.335 -13.830 1.989 1.00 1.11 H new ATOM 0 HG2 GLN A 80 1.496 -12.443 1.343 1.00 21.20 H new ATOM 0 HG3 GLN A 80 2.198 -13.678 0.317 1.00 21.20 H new ATOM 0 HE21 GLN A 80 -0.030 -14.525 -1.221 1.00 71.32 H new ATOM 0 HE22 GLN A 80 -0.618 -13.160 -2.177 1.00 71.32 H new ATOM 1312 N GLY A 81 0.296 -17.291 1.332 1.00 72.41 N ATOM 1313 CA GLY A 81 -0.416 -18.591 1.457 1.00 71.50 C ATOM 1314 C GLY A 81 -1.714 -18.536 0.650 1.00 4.32 C ATOM 1315 O GLY A 81 -2.494 -19.468 0.643 1.00 72.11 O ATOM 0 H GLY A 81 0.550 -17.026 0.380 1.00 72.41 H new ATOM 0 HA2 GLY A 81 0.217 -19.401 1.095 1.00 71.50 H new ATOM 0 HA3 GLY A 81 -0.634 -18.800 2.504 1.00 71.50 H new ATOM 1319 N TYR A 82 -1.953 -17.449 -0.037 1.00 52.24 N ATOM 1320 CA TYR A 82 -3.204 -17.340 -0.847 1.00 62.04 C ATOM 1321 C TYR A 82 -2.974 -16.426 -2.053 1.00 13.51 C ATOM 1322 O TYR A 82 -2.195 -15.495 -2.000 1.00 51.42 O ATOM 1323 CB TYR A 82 -4.262 -16.721 0.082 1.00 52.40 C ATOM 1324 CG TYR A 82 -4.011 -17.118 1.520 1.00 63.13 C ATOM 1325 CD1 TYR A 82 -2.993 -16.493 2.246 1.00 74.50 C ATOM 1326 CD2 TYR A 82 -4.800 -18.103 2.123 1.00 61.24 C ATOM 1327 CE1 TYR A 82 -2.758 -16.854 3.579 1.00 41.53 C ATOM 1328 CE2 TYR A 82 -4.567 -18.466 3.455 1.00 50.14 C ATOM 1329 CZ TYR A 82 -3.547 -17.841 4.184 1.00 52.13 C ATOM 1330 OH TYR A 82 -3.318 -18.198 5.497 1.00 73.14 O ATOM 0 H TYR A 82 -1.339 -16.635 -0.073 1.00 52.24 H new ATOM 0 HA TYR A 82 -3.519 -18.313 -1.223 1.00 62.04 H new ATOM 0 HB2 TYR A 82 -4.242 -15.635 -0.009 1.00 52.40 H new ATOM 0 HB3 TYR A 82 -5.256 -17.048 -0.222 1.00 52.40 H new ATOM 0 HD1 TYR A 82 -2.387 -15.731 1.779 1.00 74.50 H new ATOM 0 HD2 TYR A 82 -5.588 -18.583 1.562 1.00 61.24 H new ATOM 0 HE1 TYR A 82 -1.970 -16.372 4.139 1.00 41.53 H new ATOM 0 HE2 TYR A 82 -5.174 -19.228 3.921 1.00 50.14 H new ATOM 0 HH TYR A 82 -3.954 -18.895 5.762 1.00 73.14 H new ATOM 1340 N TYR A 83 -3.656 -16.677 -3.136 1.00 53.22 N ATOM 1341 CA TYR A 83 -3.486 -15.817 -4.341 1.00 20.41 C ATOM 1342 C TYR A 83 -4.812 -15.716 -5.099 1.00 51.14 C ATOM 1343 O TYR A 83 -5.443 -16.707 -5.406 1.00 5.32 O ATOM 1344 CB TYR A 83 -2.432 -16.518 -5.198 1.00 22.11 C ATOM 1345 CG TYR A 83 -2.289 -15.790 -6.513 1.00 20.04 C ATOM 1346 CD1 TYR A 83 -3.267 -15.932 -7.505 1.00 21.01 C ATOM 1347 CD2 TYR A 83 -1.178 -14.969 -6.740 1.00 1.12 C ATOM 1348 CE1 TYR A 83 -3.134 -15.255 -8.722 1.00 61.23 C ATOM 1349 CE2 TYR A 83 -1.045 -14.292 -7.956 1.00 64.54 C ATOM 1350 CZ TYR A 83 -2.021 -14.433 -8.948 1.00 64.23 C ATOM 1351 OH TYR A 83 -1.890 -13.765 -10.149 1.00 13.40 O ATOM 0 H TYR A 83 -4.324 -17.441 -3.239 1.00 53.22 H new ATOM 0 HA TYR A 83 -3.182 -14.803 -4.082 1.00 20.41 H new ATOM 0 HB2 TYR A 83 -1.476 -16.537 -4.675 1.00 22.11 H new ATOM 0 HB3 TYR A 83 -2.720 -17.554 -5.373 1.00 22.11 H new ATOM 0 HD1 TYR A 83 -4.125 -16.565 -7.330 1.00 21.01 H new ATOM 0 HD2 TYR A 83 -0.423 -14.859 -5.975 1.00 1.12 H new ATOM 0 HE1 TYR A 83 -3.888 -15.366 -9.487 1.00 61.23 H new ATOM 0 HE2 TYR A 83 -0.187 -13.659 -8.130 1.00 64.54 H new ATOM 0 HH TYR A 83 -1.064 -13.238 -10.142 1.00 13.40 H new ATOM 1361 N LEU A 84 -5.243 -14.524 -5.403 1.00 32.43 N ATOM 1362 CA LEU A 84 -6.528 -14.359 -6.139 1.00 10.44 C ATOM 1363 C LEU A 84 -6.253 -13.974 -7.592 1.00 52.04 C ATOM 1364 O LEU A 84 -5.525 -13.042 -7.871 1.00 33.13 O ATOM 1365 CB LEU A 84 -7.261 -13.231 -5.409 1.00 42.42 C ATOM 1366 CG LEU A 84 -8.562 -12.903 -6.146 1.00 60.40 C ATOM 1367 CD1 LEU A 84 -9.303 -14.198 -6.482 1.00 21.22 C ATOM 1368 CD2 LEU A 84 -9.446 -12.031 -5.249 1.00 65.01 C ATOM 0 H LEU A 84 -4.760 -13.655 -5.173 1.00 32.43 H new ATOM 0 HA LEU A 84 -7.117 -15.276 -6.160 1.00 10.44 H new ATOM 0 HB2 LEU A 84 -7.477 -13.529 -4.383 1.00 42.42 H new ATOM 0 HB3 LEU A 84 -6.627 -12.346 -5.357 1.00 42.42 H new ATOM 0 HG LEU A 84 -8.332 -12.368 -7.067 1.00 60.40 H new ATOM 0 HD11 LEU A 84 -10.229 -13.962 -7.007 1.00 21.22 H new ATOM 0 HD12 LEU A 84 -8.675 -14.822 -7.118 1.00 21.22 H new ATOM 0 HD13 LEU A 84 -9.534 -14.734 -5.562 1.00 21.22 H new ATOM 0 HD21 LEU A 84 -10.374 -11.795 -5.771 1.00 65.01 H new ATOM 0 HD22 LEU A 84 -9.674 -12.569 -4.329 1.00 65.01 H new ATOM 0 HD23 LEU A 84 -8.920 -11.107 -5.008 1.00 65.01 H new ATOM 1380 N GLN A 85 -6.825 -14.688 -8.524 1.00 22.22 N ATOM 1381 CA GLN A 85 -6.589 -14.359 -9.955 1.00 73.02 C ATOM 1382 C GLN A 85 -7.773 -13.569 -10.522 1.00 75.33 C ATOM 1383 O GLN A 85 -8.919 -13.935 -10.346 1.00 15.21 O ATOM 1384 CB GLN A 85 -6.433 -15.713 -10.661 1.00 50.21 C ATOM 1385 CG GLN A 85 -7.811 -16.296 -10.994 1.00 71.25 C ATOM 1386 CD GLN A 85 -8.307 -15.753 -12.340 1.00 33.10 C ATOM 1387 OE1 GLN A 85 -9.291 -16.232 -12.869 1.00 72.23 O ATOM 1388 NE2 GLN A 85 -7.675 -14.769 -12.925 1.00 4.14 N ATOM 0 H GLN A 85 -7.443 -15.482 -8.355 1.00 22.22 H new ATOM 0 HA GLN A 85 -5.707 -13.734 -10.096 1.00 73.02 H new ATOM 0 HB2 GLN A 85 -5.851 -15.591 -11.574 1.00 50.21 H new ATOM 0 HB3 GLN A 85 -5.882 -16.403 -10.022 1.00 50.21 H new ATOM 0 HG2 GLN A 85 -7.754 -17.384 -11.032 1.00 71.25 H new ATOM 0 HG3 GLN A 85 -8.521 -16.041 -10.207 1.00 71.25 H new ATOM 0 HE21 GLN A 85 -6.849 -14.362 -12.487 1.00 4.14 H new ATOM 0 HE22 GLN A 85 -8.009 -14.409 -13.819 1.00 4.14 H new ATOM 1397 N LEU A 86 -7.496 -12.492 -11.204 1.00 11.42 N ATOM 1398 CA LEU A 86 -8.591 -11.669 -11.791 1.00 3.24 C ATOM 1399 C LEU A 86 -8.272 -11.346 -13.255 1.00 71.51 C ATOM 1400 O LEU A 86 -7.175 -10.930 -13.570 1.00 61.24 O ATOM 1401 CB LEU A 86 -8.610 -10.389 -10.949 1.00 12.14 C ATOM 1402 CG LEU A 86 -10.043 -10.039 -10.542 1.00 45.01 C ATOM 1403 CD1 LEU A 86 -10.815 -9.536 -11.760 1.00 0.51 C ATOM 1404 CD2 LEU A 86 -10.737 -11.280 -9.971 1.00 33.11 C ATOM 0 H LEU A 86 -6.553 -12.145 -11.381 1.00 11.42 H new ATOM 0 HA LEU A 86 -9.554 -12.180 -11.779 1.00 3.24 H new ATOM 0 HB2 LEU A 86 -7.995 -10.522 -10.059 1.00 12.14 H new ATOM 0 HB3 LEU A 86 -8.175 -9.566 -11.517 1.00 12.14 H new ATOM 0 HG LEU A 86 -10.019 -9.258 -9.782 1.00 45.01 H new ATOM 0 HD11 LEU A 86 -11.835 -9.288 -11.467 1.00 0.51 H new ATOM 0 HD12 LEU A 86 -10.326 -8.648 -12.160 1.00 0.51 H new ATOM 0 HD13 LEU A 86 -10.836 -10.313 -12.524 1.00 0.51 H new ATOM 0 HD21 LEU A 86 -11.757 -11.026 -9.683 1.00 33.11 H new ATOM 0 HD22 LEU A 86 -10.758 -12.065 -10.727 1.00 33.11 H new ATOM 0 HD23 LEU A 86 -10.190 -11.633 -9.097 1.00 33.11 H new ATOM 1416 N PRO A 87 -9.247 -11.546 -14.102 1.00 40.14 N ATOM 1417 CA PRO A 87 -9.067 -11.267 -15.550 1.00 13.14 C ATOM 1418 C PRO A 87 -8.905 -9.762 -15.782 1.00 30.04 C ATOM 1419 O PRO A 87 -9.837 -9.004 -15.616 1.00 53.51 O ATOM 1420 CB PRO A 87 -10.356 -11.793 -16.180 1.00 65.22 C ATOM 1421 CG PRO A 87 -11.355 -11.765 -15.070 1.00 23.21 C ATOM 1422 CD PRO A 87 -10.592 -12.041 -13.803 1.00 62.40 C ATOM 0 HA PRO A 87 -8.178 -11.733 -15.975 1.00 13.14 H new ATOM 0 HB2 PRO A 87 -10.673 -11.168 -17.015 1.00 65.22 H new ATOM 0 HB3 PRO A 87 -10.224 -12.802 -16.569 1.00 65.22 H new ATOM 0 HG2 PRO A 87 -11.853 -10.797 -15.020 1.00 23.21 H new ATOM 0 HG3 PRO A 87 -12.131 -12.514 -15.227 1.00 23.21 H new ATOM 0 HD2 PRO A 87 -11.030 -11.524 -12.949 1.00 62.40 H new ATOM 0 HD3 PRO A 87 -10.585 -13.104 -13.562 1.00 62.40 H new ATOM 1430 N PRO A 88 -7.709 -9.386 -16.150 1.00 21.22 N ATOM 1431 CA PRO A 88 -7.400 -7.955 -16.397 1.00 44.02 C ATOM 1432 C PRO A 88 -7.999 -7.484 -17.727 1.00 22.34 C ATOM 1433 O PRO A 88 -8.056 -8.230 -18.684 1.00 61.32 O ATOM 1434 CB PRO A 88 -5.877 -7.925 -16.456 1.00 45.00 C ATOM 1435 CG PRO A 88 -5.471 -9.309 -16.856 1.00 62.50 C ATOM 1436 CD PRO A 88 -6.544 -10.248 -16.366 1.00 63.14 C ATOM 0 HA PRO A 88 -7.813 -7.297 -15.633 1.00 44.02 H new ATOM 0 HB2 PRO A 88 -5.526 -7.188 -17.178 1.00 45.00 H new ATOM 0 HB3 PRO A 88 -5.451 -7.654 -15.490 1.00 45.00 H new ATOM 0 HG2 PRO A 88 -5.362 -9.380 -17.938 1.00 62.50 H new ATOM 0 HG3 PRO A 88 -4.506 -9.568 -16.421 1.00 62.50 H new ATOM 0 HD2 PRO A 88 -6.756 -11.027 -17.099 1.00 63.14 H new ATOM 0 HD3 PRO A 88 -6.244 -10.749 -15.446 1.00 63.14 H new ATOM 1444 N PRO A 89 -8.415 -6.246 -17.733 1.00 32.05 N ATOM 1445 CA PRO A 89 -9.008 -5.640 -18.953 1.00 51.12 C ATOM 1446 C PRO A 89 -7.922 -5.402 -20.008 1.00 4.32 C ATOM 1447 O PRO A 89 -6.758 -5.643 -19.761 1.00 65.32 O ATOM 1448 CB PRO A 89 -9.581 -4.316 -18.447 1.00 0.33 C ATOM 1449 CG PRO A 89 -8.785 -3.991 -17.226 1.00 40.15 C ATOM 1450 CD PRO A 89 -8.370 -5.303 -16.612 1.00 63.11 C ATOM 0 HA PRO A 89 -9.760 -6.269 -19.429 1.00 51.12 H new ATOM 0 HB2 PRO A 89 -9.487 -3.533 -19.199 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -10.642 -4.409 -18.213 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -7.912 -3.391 -17.483 1.00 40.15 H new ATOM 0 HG3 PRO A 89 -9.378 -3.406 -16.523 1.00 40.15 H new ATOM 0 HD2 PRO A 89 -7.371 -5.244 -16.180 1.00 63.11 H new ATOM 0 HD3 PRO A 89 -9.047 -5.601 -15.811 1.00 63.11 H new ATOM 1458 N PRO A 90 -8.340 -4.931 -21.155 1.00 62.13 N ATOM 1459 CA PRO A 90 -7.384 -4.656 -22.258 1.00 61.32 C ATOM 1460 C PRO A 90 -6.453 -3.498 -21.881 1.00 52.03 C ATOM 1461 O PRO A 90 -5.264 -3.543 -22.127 1.00 71.33 O ATOM 1462 CB PRO A 90 -8.290 -4.285 -23.433 1.00 62.24 C ATOM 1463 CG PRO A 90 -9.555 -3.804 -22.797 1.00 75.03 C ATOM 1464 CD PRO A 90 -9.723 -4.611 -21.536 1.00 70.41 C ATOM 0 HA PRO A 90 -6.732 -5.499 -22.486 1.00 61.32 H new ATOM 0 HB2 PRO A 90 -7.838 -3.510 -24.053 1.00 62.24 H new ATOM 0 HB3 PRO A 90 -8.473 -5.144 -24.079 1.00 62.24 H new ATOM 0 HG2 PRO A 90 -9.498 -2.739 -22.573 1.00 75.03 H new ATOM 0 HG3 PRO A 90 -10.405 -3.944 -23.465 1.00 75.03 H new ATOM 0 HD2 PRO A 90 -10.233 -4.042 -20.759 1.00 70.41 H new ATOM 0 HD3 PRO A 90 -10.311 -5.512 -21.710 1.00 70.41 H new ATOM 1472 N GLU A 91 -6.979 -2.466 -21.279 1.00 22.40 N ATOM 1473 CA GLU A 91 -6.114 -1.317 -20.884 1.00 12.53 C ATOM 1474 C GLU A 91 -5.368 -1.652 -19.591 1.00 53.40 C ATOM 1475 O GLU A 91 -4.158 -1.747 -19.563 1.00 32.30 O ATOM 1476 CB GLU A 91 -7.077 -0.149 -20.665 1.00 32.05 C ATOM 1477 CG GLU A 91 -7.286 0.594 -21.985 1.00 55.11 C ATOM 1478 CD GLU A 91 -8.277 1.741 -21.776 1.00 72.03 C ATOM 1479 OE1 GLU A 91 -9.453 1.462 -21.623 1.00 63.51 O ATOM 1480 OE2 GLU A 91 -7.841 2.880 -21.772 1.00 43.14 O ATOM 0 H GLU A 91 -7.967 -2.368 -21.044 1.00 22.40 H new ATOM 0 HA GLU A 91 -5.362 -1.082 -21.637 1.00 12.53 H new ATOM 0 HB2 GLU A 91 -8.031 -0.516 -20.287 1.00 32.05 H new ATOM 0 HB3 GLU A 91 -6.676 0.530 -19.913 1.00 32.05 H new ATOM 0 HG2 GLU A 91 -6.335 0.983 -22.350 1.00 55.11 H new ATOM 0 HG3 GLU A 91 -7.662 -0.091 -22.744 1.00 55.11 H new ATOM 1487 N ASP A 92 -6.088 -1.834 -18.522 1.00 61.31 N ATOM 1488 CA ASP A 92 -5.437 -2.170 -17.223 1.00 11.25 C ATOM 1489 C ASP A 92 -4.169 -1.334 -17.019 1.00 11.03 C ATOM 1490 O ASP A 92 -3.228 -1.766 -16.382 1.00 60.34 O ATOM 1491 CB ASP A 92 -5.085 -3.654 -17.332 1.00 44.03 C ATOM 1492 CG ASP A 92 -5.081 -4.283 -15.937 1.00 75.01 C ATOM 1493 OD1 ASP A 92 -4.847 -3.560 -14.983 1.00 21.40 O ATOM 1494 OD2 ASP A 92 -5.313 -5.477 -15.847 1.00 1.40 O ATOM 0 H ASP A 92 -7.105 -1.765 -18.490 1.00 61.31 H new ATOM 0 HA ASP A 92 -6.088 -1.961 -16.374 1.00 11.25 H new ATOM 0 HB2 ASP A 92 -5.807 -4.164 -17.970 1.00 44.03 H new ATOM 0 HB3 ASP A 92 -4.107 -3.773 -17.799 1.00 44.03 H new ATOM 1499 N LEU A 93 -4.134 -0.143 -17.549 1.00 11.41 N ATOM 1500 CA LEU A 93 -2.922 0.708 -17.371 1.00 70.13 C ATOM 1501 C LEU A 93 -2.486 0.695 -15.903 1.00 1.42 C ATOM 1502 O LEU A 93 -3.299 0.572 -15.009 1.00 45.21 O ATOM 1503 CB LEU A 93 -3.356 2.113 -17.788 1.00 61.43 C ATOM 1504 CG LEU A 93 -3.495 2.175 -19.310 1.00 11.24 C ATOM 1505 CD1 LEU A 93 -4.681 3.070 -19.675 1.00 33.11 C ATOM 1506 CD2 LEU A 93 -2.212 2.749 -19.916 1.00 63.14 C ATOM 0 H LEU A 93 -4.887 0.277 -18.095 1.00 11.41 H new ATOM 0 HA LEU A 93 -2.077 0.354 -17.961 1.00 70.13 H new ATOM 0 HB2 LEU A 93 -4.305 2.367 -17.315 1.00 61.43 H new ATOM 0 HB3 LEU A 93 -2.624 2.846 -17.449 1.00 61.43 H new ATOM 0 HG LEU A 93 -3.663 1.172 -19.703 1.00 11.24 H new ATOM 0 HD11 LEU A 93 -4.782 3.116 -20.759 1.00 33.11 H new ATOM 0 HD12 LEU A 93 -5.593 2.659 -19.242 1.00 33.11 H new ATOM 0 HD13 LEU A 93 -4.514 4.073 -19.284 1.00 33.11 H new ATOM 0 HD21 LEU A 93 -2.310 2.794 -21.001 1.00 63.14 H new ATOM 0 HD22 LEU A 93 -2.042 3.752 -19.525 1.00 63.14 H new ATOM 0 HD23 LEU A 93 -1.368 2.110 -19.654 1.00 63.14 H new ATOM 1518 N LEU A 94 -1.213 0.819 -15.646 1.00 63.30 N ATOM 1519 CA LEU A 94 -0.740 0.807 -14.230 1.00 42.42 C ATOM 1520 C LEU A 94 0.726 1.240 -14.149 1.00 11.50 C ATOM 1521 O LEU A 94 1.325 1.639 -15.128 1.00 13.25 O ATOM 1522 CB LEU A 94 -0.898 -0.645 -13.780 1.00 31.51 C ATOM 1523 CG LEU A 94 -1.536 -0.681 -12.390 1.00 53.11 C ATOM 1524 CD1 LEU A 94 -2.753 -1.609 -12.414 1.00 31.44 C ATOM 1525 CD2 LEU A 94 -0.519 -1.203 -11.373 1.00 20.04 C ATOM 0 H LEU A 94 -0.482 0.928 -16.350 1.00 63.30 H new ATOM 0 HA LEU A 94 -1.303 1.497 -13.601 1.00 42.42 H new ATOM 0 HB2 LEU A 94 -1.518 -1.192 -14.491 1.00 31.51 H new ATOM 0 HB3 LEU A 94 0.074 -1.138 -13.759 1.00 31.51 H new ATOM 0 HG LEU A 94 -1.848 0.324 -12.108 1.00 53.11 H new ATOM 0 HD11 LEU A 94 -3.209 -1.636 -11.424 1.00 31.44 H new ATOM 0 HD12 LEU A 94 -3.479 -1.239 -13.138 1.00 31.44 H new ATOM 0 HD13 LEU A 94 -2.439 -2.614 -12.696 1.00 31.44 H new ATOM 0 HD21 LEU A 94 -0.974 -1.228 -10.383 1.00 20.04 H new ATOM 0 HD22 LEU A 94 -0.206 -2.209 -11.654 1.00 20.04 H new ATOM 0 HD23 LEU A 94 0.349 -0.545 -11.356 1.00 20.04 H new ATOM 1537 N LYS A 95 1.307 1.162 -12.982 1.00 70.14 N ATOM 1538 CA LYS A 95 2.732 1.565 -12.821 1.00 34.11 C ATOM 1539 C LYS A 95 3.652 0.458 -13.342 1.00 64.03 C ATOM 1540 O LYS A 95 3.215 -0.633 -13.649 1.00 43.14 O ATOM 1541 CB LYS A 95 2.920 1.750 -11.315 1.00 31.51 C ATOM 1542 CG LYS A 95 2.834 3.238 -10.964 1.00 14.01 C ATOM 1543 CD LYS A 95 3.969 3.991 -11.659 1.00 51.13 C ATOM 1544 CE LYS A 95 3.382 4.993 -12.655 1.00 20.41 C ATOM 1545 NZ LYS A 95 3.737 6.331 -12.105 1.00 32.22 N ATOM 0 H LYS A 95 0.853 0.835 -12.130 1.00 70.14 H new ATOM 0 HA LYS A 95 2.973 2.470 -13.378 1.00 34.11 H new ATOM 0 HB2 LYS A 95 2.156 1.194 -10.772 1.00 31.51 H new ATOM 0 HB3 LYS A 95 3.886 1.349 -11.007 1.00 31.51 H new ATOM 0 HG2 LYS A 95 1.871 3.641 -11.276 1.00 14.01 H new ATOM 0 HG3 LYS A 95 2.901 3.373 -9.884 1.00 14.01 H new ATOM 0 HD2 LYS A 95 4.580 4.511 -10.921 1.00 51.13 H new ATOM 0 HD3 LYS A 95 4.623 3.289 -12.176 1.00 51.13 H new ATOM 0 HE2 LYS A 95 3.801 4.851 -13.651 1.00 20.41 H new ATOM 0 HE3 LYS A 95 2.302 4.876 -12.744 1.00 20.41 H new ATOM 0 HZ1 LYS A 95 3.369 7.073 -12.733 1.00 32.22 H new ATOM 0 HZ2 LYS A 95 3.319 6.439 -11.159 1.00 32.22 H new ATOM 0 HZ3 LYS A 95 4.771 6.416 -12.039 1.00 32.22 H new ATOM 1559 N GLN A 96 4.923 0.733 -13.444 1.00 62.10 N ATOM 1560 CA GLN A 96 5.874 -0.294 -13.947 1.00 42.52 C ATOM 1561 C GLN A 96 7.318 0.144 -13.687 1.00 64.11 C ATOM 1562 O GLN A 96 7.572 1.048 -12.916 1.00 31.33 O ATOM 1563 CB GLN A 96 5.600 -0.382 -15.450 1.00 0.52 C ATOM 1564 CG GLN A 96 5.314 1.012 -16.016 1.00 21.43 C ATOM 1565 CD GLN A 96 5.285 0.945 -17.543 1.00 64.11 C ATOM 1566 OE1 GLN A 96 6.246 0.530 -18.162 1.00 50.52 O ATOM 1567 NE2 GLN A 96 4.217 1.336 -18.180 1.00 31.41 N ATOM 0 H GLN A 96 5.344 1.629 -13.199 1.00 62.10 H new ATOM 0 HA GLN A 96 5.744 -1.256 -13.451 1.00 42.52 H new ATOM 0 HB2 GLN A 96 6.458 -0.820 -15.959 1.00 0.52 H new ATOM 0 HB3 GLN A 96 4.750 -1.039 -15.635 1.00 0.52 H new ATOM 0 HG2 GLN A 96 4.360 1.381 -15.639 1.00 21.43 H new ATOM 0 HG3 GLN A 96 6.080 1.714 -15.686 1.00 21.43 H new ATOM 0 HE21 GLN A 96 3.412 1.684 -17.660 1.00 31.41 H new ATOM 0 HE22 GLN A 96 4.187 1.294 -19.199 1.00 31.41 H new ATOM 1576 N HIS A 97 8.265 -0.491 -14.322 1.00 12.15 N ATOM 1577 CA HIS A 97 9.694 -0.115 -14.110 1.00 12.31 C ATOM 1578 C HIS A 97 10.134 -0.468 -12.684 1.00 42.14 C ATOM 1579 O HIS A 97 10.618 0.369 -11.948 1.00 33.11 O ATOM 1580 CB HIS A 97 9.745 1.399 -14.325 1.00 41.21 C ATOM 1581 CG HIS A 97 10.895 1.739 -15.235 1.00 51.21 C ATOM 1582 ND1 HIS A 97 10.789 1.672 -16.617 1.00 55.20 N ATOM 1583 CD2 HIS A 97 12.179 2.151 -14.977 1.00 1.10 C ATOM 1584 CE1 HIS A 97 11.977 2.033 -17.132 1.00 30.55 C ATOM 1585 NE2 HIS A 97 12.861 2.336 -16.177 1.00 31.20 N ATOM 0 H HIS A 97 8.112 -1.255 -14.980 1.00 12.15 H new ATOM 0 HA HIS A 97 10.361 -0.647 -14.788 1.00 12.31 H new ATOM 0 HB2 HIS A 97 8.808 1.747 -14.760 1.00 41.21 H new ATOM 0 HB3 HIS A 97 9.861 1.909 -13.369 1.00 41.21 H new ATOM 0 HD2 HIS A 97 12.596 2.308 -13.993 1.00 1.10 H new ATOM 0 HE1 HIS A 97 12.191 2.073 -18.190 1.00 30.55 H new ATOM 0 HE2 HIS A 97 13.827 2.638 -16.300 1.00 31.20 H new ATOM 1593 N LEU A 98 9.968 -1.702 -12.291 1.00 0.50 N ATOM 1594 CA LEU A 98 10.378 -2.108 -10.916 1.00 52.30 C ATOM 1595 C LEU A 98 10.728 -3.597 -10.887 1.00 21.44 C ATOM 1596 O LEU A 98 9.924 -4.428 -10.514 1.00 1.43 O ATOM 1597 CB LEU A 98 9.161 -1.827 -10.034 1.00 1.22 C ATOM 1598 CG LEU A 98 9.627 -1.489 -8.615 1.00 62.13 C ATOM 1599 CD1 LEU A 98 10.549 -2.598 -8.101 1.00 12.32 C ATOM 1600 CD2 LEU A 98 10.385 -0.161 -8.631 1.00 1.33 C ATOM 0 H LEU A 98 9.567 -2.446 -12.862 1.00 0.50 H new ATOM 0 HA LEU A 98 11.260 -1.566 -10.574 1.00 52.30 H new ATOM 0 HB2 LEU A 98 8.583 -0.999 -10.446 1.00 1.22 H new ATOM 0 HB3 LEU A 98 8.504 -2.696 -10.015 1.00 1.22 H new ATOM 0 HG LEU A 98 8.761 -1.405 -7.959 1.00 62.13 H new ATOM 0 HD11 LEU A 98 10.880 -2.357 -7.091 1.00 12.32 H new ATOM 0 HD12 LEU A 98 10.008 -3.544 -8.089 1.00 12.32 H new ATOM 0 HD13 LEU A 98 11.416 -2.684 -8.756 1.00 12.32 H new ATOM 0 HD21 LEU A 98 10.717 0.081 -7.621 1.00 1.33 H new ATOM 0 HD22 LEU A 98 11.251 -0.244 -9.288 1.00 1.33 H new ATOM 0 HD23 LEU A 98 9.728 0.629 -8.995 1.00 1.33 H new ATOM 1612 N SER A 99 11.922 -3.942 -11.281 1.00 72.14 N ATOM 1613 CA SER A 99 12.322 -5.377 -11.280 1.00 10.30 C ATOM 1614 C SER A 99 12.618 -5.843 -9.851 1.00 33.03 C ATOM 1615 O SER A 99 12.193 -5.238 -8.887 1.00 54.11 O ATOM 1616 CB SER A 99 13.587 -5.434 -12.134 1.00 33.03 C ATOM 1617 OG SER A 99 14.658 -4.822 -11.428 1.00 53.04 O ATOM 0 H SER A 99 12.639 -3.292 -11.604 1.00 72.14 H new ATOM 0 HA SER A 99 11.537 -6.025 -11.669 1.00 10.30 H new ATOM 0 HB2 SER A 99 13.835 -6.469 -12.368 1.00 33.03 H new ATOM 0 HB3 SER A 99 13.423 -4.923 -13.083 1.00 33.03 H new ATOM 0 HG SER A 99 15.472 -4.858 -11.973 1.00 53.04 H new ATOM 1623 N VAL A 100 13.346 -6.916 -9.712 1.00 1.45 N ATOM 1624 CA VAL A 100 13.671 -7.426 -8.348 1.00 2.42 C ATOM 1625 C VAL A 100 15.023 -8.144 -8.370 1.00 74.32 C ATOM 1626 O VAL A 100 15.278 -8.982 -9.212 1.00 41.35 O ATOM 1627 CB VAL A 100 12.547 -8.407 -8.010 1.00 63.15 C ATOM 1628 CG1 VAL A 100 12.342 -9.372 -9.178 1.00 11.50 C ATOM 1629 CG2 VAL A 100 12.923 -9.200 -6.756 1.00 72.31 C ATOM 0 H VAL A 100 13.730 -7.462 -10.483 1.00 1.45 H new ATOM 0 HA VAL A 100 13.743 -6.626 -7.611 1.00 2.42 H new ATOM 0 HB VAL A 100 11.625 -7.854 -7.830 1.00 63.15 H new ATOM 0 HG11 VAL A 100 11.541 -10.071 -8.936 1.00 11.50 H new ATOM 0 HG12 VAL A 100 12.075 -8.809 -10.072 1.00 11.50 H new ATOM 0 HG13 VAL A 100 13.264 -9.925 -9.359 1.00 11.50 H new ATOM 0 HG21 VAL A 100 12.123 -9.899 -6.514 1.00 72.31 H new ATOM 0 HG22 VAL A 100 13.845 -9.752 -6.938 1.00 72.31 H new ATOM 0 HG23 VAL A 100 13.069 -8.514 -5.922 1.00 72.31 H new ATOM 1639 N MET A 101 15.892 -7.823 -7.452 1.00 23.21 N ATOM 1640 CA MET A 101 17.225 -8.487 -7.425 1.00 41.33 C ATOM 1641 C MET A 101 17.824 -8.422 -6.018 1.00 4.04 C ATOM 1642 O MET A 101 18.049 -7.358 -5.478 1.00 65.32 O ATOM 1643 CB MET A 101 18.082 -7.691 -8.410 1.00 3.31 C ATOM 1644 CG MET A 101 19.077 -8.628 -9.097 1.00 14.02 C ATOM 1645 SD MET A 101 20.015 -7.703 -10.337 1.00 1.33 S ATOM 1646 CE MET A 101 19.727 -8.831 -11.723 1.00 30.22 C ATOM 0 H MET A 101 15.737 -7.130 -6.720 1.00 23.21 H new ATOM 0 HA MET A 101 17.166 -9.542 -7.694 1.00 41.33 H new ATOM 0 HB2 MET A 101 17.447 -7.210 -9.154 1.00 3.31 H new ATOM 0 HB3 MET A 101 18.616 -6.898 -7.886 1.00 3.31 H new ATOM 0 HG2 MET A 101 19.754 -9.060 -8.361 1.00 14.02 H new ATOM 0 HG3 MET A 101 18.548 -9.456 -9.568 1.00 14.02 H new ATOM 0 HE1 MET A 101 20.226 -8.449 -12.613 1.00 30.22 H new ATOM 0 HE2 MET A 101 20.125 -9.816 -11.479 1.00 30.22 H new ATOM 0 HE3 MET A 101 18.656 -8.909 -11.913 1.00 30.22 H new ATOM 1656 N GLY A 102 18.081 -9.551 -5.424 1.00 12.04 N ATOM 1657 CA GLY A 102 18.664 -9.558 -4.052 1.00 64.10 C ATOM 1658 C GLY A 102 18.334 -10.884 -3.367 1.00 70.15 C ATOM 1659 O GLY A 102 17.326 -11.503 -3.647 1.00 10.33 O ATOM 0 H GLY A 102 17.913 -10.472 -5.828 1.00 12.04 H new ATOM 0 HA2 GLY A 102 19.744 -9.421 -4.103 1.00 64.10 H new ATOM 0 HA3 GLY A 102 18.265 -8.727 -3.471 1.00 64.10 H new ATOM 1663 N GLN A 103 19.172 -11.327 -2.472 1.00 73.12 N ATOM 1664 CA GLN A 103 18.899 -12.616 -1.774 1.00 10.43 C ATOM 1665 C GLN A 103 18.961 -12.419 -0.257 1.00 5.21 C ATOM 1666 O GLN A 103 19.208 -11.333 0.228 1.00 11.24 O ATOM 1667 CB GLN A 103 20.010 -13.559 -2.237 1.00 2.32 C ATOM 1668 CG GLN A 103 21.372 -12.915 -1.977 1.00 44.54 C ATOM 1669 CD GLN A 103 22.485 -13.893 -2.358 1.00 0.01 C ATOM 1670 OE1 GLN A 103 23.596 -13.781 -1.885 1.00 75.32 O ATOM 1671 NE2 GLN A 103 22.229 -14.857 -3.202 1.00 61.41 N ATOM 0 H GLN A 103 20.032 -10.855 -2.194 1.00 73.12 H new ATOM 0 HA GLN A 103 17.908 -13.008 -2.003 1.00 10.43 H new ATOM 0 HB2 GLN A 103 19.939 -14.509 -1.707 1.00 2.32 H new ATOM 0 HB3 GLN A 103 19.896 -13.777 -3.299 1.00 2.32 H new ATOM 0 HG2 GLN A 103 21.467 -11.997 -2.556 1.00 44.54 H new ATOM 0 HG3 GLN A 103 21.460 -12.640 -0.926 1.00 44.54 H new ATOM 0 HE21 GLN A 103 21.295 -14.952 -3.600 1.00 61.41 H new ATOM 0 HE22 GLN A 103 22.963 -15.515 -3.463 1.00 61.41 H new ATOM 1680 N LYS A 104 18.732 -13.461 0.494 1.00 50.40 N ATOM 1681 CA LYS A 104 18.775 -13.330 1.980 1.00 4.40 C ATOM 1682 C LYS A 104 19.917 -14.174 2.553 1.00 41.23 C ATOM 1683 O LYS A 104 20.493 -14.999 1.872 1.00 2.02 O ATOM 1684 CB LYS A 104 17.422 -13.858 2.461 1.00 13.43 C ATOM 1685 CG LYS A 104 16.517 -12.681 2.835 1.00 44.50 C ATOM 1686 CD LYS A 104 15.072 -13.168 2.957 1.00 14.01 C ATOM 1687 CE LYS A 104 14.148 -12.229 2.177 1.00 43.10 C ATOM 1688 NZ LYS A 104 13.389 -11.486 3.221 1.00 73.23 N ATOM 0 H LYS A 104 18.517 -14.395 0.145 1.00 50.40 H new ATOM 0 HA LYS A 104 18.950 -12.303 2.301 1.00 4.40 H new ATOM 0 HB2 LYS A 104 16.954 -14.456 1.679 1.00 13.43 H new ATOM 0 HB3 LYS A 104 17.560 -14.512 3.322 1.00 13.43 H new ATOM 0 HG2 LYS A 104 16.845 -12.241 3.777 1.00 44.50 H new ATOM 0 HG3 LYS A 104 16.586 -11.900 2.078 1.00 44.50 H new ATOM 0 HD2 LYS A 104 14.986 -14.184 2.571 1.00 14.01 H new ATOM 0 HD3 LYS A 104 14.775 -13.199 4.005 1.00 14.01 H new ATOM 0 HE2 LYS A 104 14.718 -11.549 1.544 1.00 43.10 H new ATOM 0 HE3 LYS A 104 13.478 -12.787 1.523 1.00 43.10 H new ATOM 0 HZ1 LYS A 104 12.732 -10.820 2.765 1.00 73.23 H new ATOM 0 HZ2 LYS A 104 12.851 -12.159 3.804 1.00 73.23 H new ATOM 0 HZ3 LYS A 104 14.053 -10.959 3.824 1.00 73.23 H new ATOM 1702 N THR A 105 20.248 -13.975 3.800 1.00 21.34 N ATOM 1703 CA THR A 105 21.353 -14.764 4.413 1.00 22.23 C ATOM 1704 C THR A 105 20.853 -15.491 5.665 1.00 12.04 C ATOM 1705 O THR A 105 20.020 -14.990 6.395 1.00 2.15 O ATOM 1706 CB THR A 105 22.421 -13.731 4.784 1.00 25.04 C ATOM 1707 OG1 THR A 105 22.003 -13.014 5.937 1.00 1.00 O ATOM 1708 CG2 THR A 105 22.620 -12.756 3.620 1.00 50.02 C ATOM 0 H THR A 105 19.801 -13.300 4.420 1.00 21.34 H new ATOM 0 HA THR A 105 21.740 -15.526 3.736 1.00 22.23 H new ATOM 0 HB THR A 105 23.362 -14.241 4.992 1.00 25.04 H new ATOM 0 HG1 THR A 105 22.686 -12.354 6.177 1.00 1.00 H new ATOM 0 HG21 THR A 105 23.380 -12.022 3.886 1.00 50.02 H new ATOM 0 HG22 THR A 105 22.941 -13.306 2.735 1.00 50.02 H new ATOM 0 HG23 THR A 105 21.681 -12.245 3.409 1.00 50.02 H new ATOM 1716 N ASP A 106 21.354 -16.670 5.918 1.00 23.42 N ATOM 1717 CA ASP A 106 20.906 -17.428 7.121 1.00 64.12 C ATOM 1718 C ASP A 106 19.435 -17.829 6.983 1.00 13.31 C ATOM 1719 O ASP A 106 18.592 -17.402 7.748 1.00 0.24 O ATOM 1720 CB ASP A 106 21.094 -16.463 8.292 1.00 43.31 C ATOM 1721 CG ASP A 106 21.225 -17.259 9.591 1.00 21.04 C ATOM 1722 OD1 ASP A 106 20.493 -18.222 9.750 1.00 61.13 O ATOM 1723 OD2 ASP A 106 22.057 -16.893 10.404 1.00 21.14 O ATOM 0 H ASP A 106 22.054 -17.141 5.344 1.00 23.42 H new ATOM 0 HA ASP A 106 21.471 -18.350 7.259 1.00 64.12 H new ATOM 0 HB2 ASP A 106 21.984 -15.853 8.135 1.00 43.31 H new ATOM 0 HB3 ASP A 106 20.246 -15.781 8.355 1.00 43.31 H new ATOM 1728 N ASP A 107 19.121 -18.645 6.015 1.00 11.13 N ATOM 1729 CA ASP A 107 17.704 -19.073 5.833 1.00 15.11 C ATOM 1730 C ASP A 107 17.473 -20.429 6.509 1.00 3.32 C ATOM 1731 O ASP A 107 18.372 -21.001 7.093 1.00 62.12 O ATOM 1732 CB ASP A 107 17.517 -19.188 4.319 1.00 63.21 C ATOM 1733 CG ASP A 107 18.234 -20.437 3.807 1.00 1.21 C ATOM 1734 OD1 ASP A 107 19.430 -20.543 4.030 1.00 4.41 O ATOM 1735 OD2 ASP A 107 17.577 -21.267 3.200 1.00 13.52 O ATOM 0 H ASP A 107 19.782 -19.034 5.343 1.00 11.13 H new ATOM 0 HA ASP A 107 16.998 -18.372 6.278 1.00 15.11 H new ATOM 0 HB2 ASP A 107 16.456 -19.241 4.077 1.00 63.21 H new ATOM 0 HB3 ASP A 107 17.913 -18.301 3.825 1.00 63.21 H new ATOM 1740 N THR A 108 16.277 -20.946 6.436 1.00 52.11 N ATOM 1741 CA THR A 108 15.997 -22.264 7.077 1.00 43.11 C ATOM 1742 C THR A 108 15.339 -23.215 6.073 1.00 64.41 C ATOM 1743 O THR A 108 15.882 -24.249 5.738 1.00 54.20 O ATOM 1744 CB THR A 108 15.035 -21.953 8.225 1.00 31.34 C ATOM 1745 OG1 THR A 108 13.859 -21.350 7.706 1.00 1.52 O ATOM 1746 CG2 THR A 108 15.710 -20.994 9.210 1.00 41.24 C ATOM 0 H THR A 108 15.483 -20.515 5.962 1.00 52.11 H new ATOM 0 HA THR A 108 16.907 -22.751 7.427 1.00 43.11 H new ATOM 0 HB THR A 108 14.772 -22.877 8.740 1.00 31.34 H new ATOM 0 HG1 THR A 108 13.241 -21.152 8.441 1.00 1.52 H new ATOM 0 HG21 THR A 108 15.025 -20.772 10.028 1.00 41.24 H new ATOM 0 HG22 THR A 108 16.613 -21.457 9.608 1.00 41.24 H new ATOM 0 HG23 THR A 108 15.973 -20.070 8.696 1.00 41.24 H new ATOM 1754 N ASN A 109 14.176 -22.872 5.589 1.00 31.33 N ATOM 1755 CA ASN A 109 13.487 -23.758 4.607 1.00 53.22 C ATOM 1756 C ASN A 109 13.285 -25.153 5.208 1.00 32.12 C ATOM 1757 O ASN A 109 13.411 -26.153 4.531 1.00 0.40 O ATOM 1758 CB ASN A 109 14.425 -23.826 3.402 1.00 12.53 C ATOM 1759 CG ASN A 109 13.915 -22.892 2.304 1.00 42.42 C ATOM 1760 OD1 ASN A 109 12.878 -23.135 1.715 1.00 0.34 O ATOM 1761 ND2 ASN A 109 14.603 -21.826 1.999 1.00 44.20 N ATOM 0 H ASN A 109 13.674 -22.018 5.831 1.00 31.33 H new ATOM 0 HA ASN A 109 12.502 -23.381 4.333 1.00 53.22 H new ATOM 0 HB2 ASN A 109 15.435 -23.540 3.697 1.00 12.53 H new ATOM 0 HB3 ASN A 109 14.480 -24.848 3.028 1.00 12.53 H new ATOM 0 HD21 ASN A 109 14.272 -21.197 1.267 1.00 44.20 H new ATOM 0 HD22 ASN A 109 15.472 -21.622 2.492 1.00 44.20 H new ATOM 1768 N LYS A 110 12.975 -25.224 6.474 1.00 63.12 N ATOM 1769 CA LYS A 110 12.768 -26.555 7.114 1.00 73.01 C ATOM 1770 C LYS A 110 14.050 -27.388 7.026 1.00 43.20 C ATOM 1771 O LYS A 110 14.154 -28.358 7.760 1.00 64.31 O ATOM 1772 CB LYS A 110 11.644 -27.209 6.311 1.00 70.22 C ATOM 1773 CG LYS A 110 10.872 -28.178 7.208 1.00 61.32 C ATOM 1774 CD LYS A 110 9.390 -28.159 6.828 1.00 12.53 C ATOM 1775 CE LYS A 110 9.220 -28.729 5.417 1.00 62.33 C ATOM 1776 NZ LYS A 110 7.889 -29.397 5.431 1.00 12.33 N ATOM 0 H LYS A 110 12.856 -24.421 7.091 1.00 63.12 H new ATOM 0 HA LYS A 110 12.517 -26.472 8.171 1.00 73.01 H new ATOM 0 HB2 LYS A 110 10.972 -26.446 5.919 1.00 70.22 H new ATOM 0 HB3 LYS A 110 12.057 -27.741 5.454 1.00 70.22 H new ATOM 0 HG2 LYS A 110 11.272 -29.186 7.101 1.00 61.32 H new ATOM 0 HG3 LYS A 110 10.993 -27.896 8.254 1.00 61.32 H new ATOM 0 HD2 LYS A 110 8.813 -28.747 7.542 1.00 12.53 H new ATOM 0 HD3 LYS A 110 9.006 -27.140 6.869 1.00 12.53 H new ATOM 0 HE2 LYS A 110 9.258 -27.941 4.665 1.00 62.33 H new ATOM 0 HE3 LYS A 110 10.014 -29.436 5.178 1.00 62.33 H new ATOM 0 HZ1 LYS A 110 7.700 -29.813 4.497 1.00 12.33 H new ATOM 0 HZ2 LYS A 110 7.885 -30.147 6.152 1.00 12.33 H new ATOM 0 HZ3 LYS A 110 7.152 -28.698 5.654 1.00 12.33 H new TER 1790 LYS A 110