USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1049 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 129 MET CE :methyl -149:sc= -0.0913 (180deg=-0.527) USER MOD Set 1.2: A 133 ASN : amide:sc= 0.0976 X(o=0.0063,f=-0.091) USER MOD Set 2.1: A 104 MET CE :methyl -171:sc= -1.97! (180deg=-0.885) USER MOD Set 2.2: A 131 GLN : amide:sc= -0.364 X(o=-2.3,f=-2) USER MOD Set 3.1: A 107 TYR OH : rot -171:sc= 0.232 USER MOD Set 3.2: A 127 CYS SG : rot 118:sc= -2.05! USER MOD Set 4.1: A 67 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD Set 4.2: A 97 MET CE :methyl -166:sc= 0 (180deg=-0.16) USER MOD Set 5.1: A 61 THR OG1 : rot -59:sc= 0.874 USER MOD Set 5.2: A 62 LYS NZ :NH3+ 168:sc= 0.625 (180deg=-0.338) USER MOD Set 6.1: A 39 TYR OH : rot 180:sc= -0.327 USER MOD Set 6.2: A 55 ASN : amide:sc= 0.0108 K(o=-0.32,f=-1.2) USER MOD Set 7.1: A 26 CYS SG : rot -163:sc= -0.375 USER MOD Set 7.2: A 38 HIS : no HE2:sc= 0.289! C(o=-0.086!,f=-8.3!) USER MOD Set 8.1: A 12 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Set 8.2: A 18 MET CE :methyl -130:sc= 0 (180deg=0) USER MOD Set 9.1: A 1 MET CE :methyl 179:sc=-0.000246 (180deg=-0.000583) USER MOD Set 9.2: A 3 HIS : no HE2:sc= 0 X(o=-0.00025,f=-0.39) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.052 (180deg=-0.652) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 5 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.011) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0.033) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 9 SER OG : rot 160:sc= -0.176 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= -0.393 (180deg=-0.407) USER MOD Single : A 21 ASN : amide:sc= -0.79 X(o=-0.79,f=-0.58) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0969 F(o=-1.9,f=-0.097) USER MOD Single : A 28 GLN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.156 F(o=-0.71,f=-0.16) USER MOD Single : A 36 MET CE :methyl -157:sc= -0.279 (180deg=-0.934) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0397) USER MOD Single : A 40 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.00679) USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= 0.86 (180deg=0.3) USER MOD Single : A 53 TYR OH : rot 26:sc= -0.484 USER MOD Single : A 54 SER OG : rot -10:sc= 0.952 USER MOD Single : A 59 CYS SG : rot 66:sc= -0.315 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 32:sc= 1.03 USER MOD Single : A 76 CYS SG : rot -93:sc= 0.225 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 82 THR OG1 : rot -40:sc= 0.713 USER MOD Single : A 85 LYS NZ :NH3+ -112:sc= 0.981 (180deg=-0.212) USER MOD Single : A 87 TYR OH : rot 151:sc= 0.765 USER MOD Single : A 88 THR OG1 : rot 67:sc= 0.764 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0.156 (180deg=0.0871) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= -0.0148 (180deg=-0.0847) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0998 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.078 F(o=-1.1,f=-0.078) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -22:sc= 0.317 USER MOD Single : A 117 CYS SG : rot -9:sc= -7.34! USER MOD Single : A 118 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0112) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.032) USER MOD Single : A 128 MET CE :methyl -155:sc= -0.215 (180deg=-0.858) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.944 7.322 6.539 1.00 72.43 N ATOM 2 CA MET A 1 15.181 6.369 7.651 1.00 72.02 C ATOM 3 C MET A 1 14.606 6.943 8.957 1.00 12.33 C ATOM 4 O MET A 1 14.054 6.205 9.776 1.00 5.15 O ATOM 5 CB MET A 1 16.699 6.046 7.778 1.00 51.43 C ATOM 6 CG MET A 1 17.308 5.408 6.512 1.00 54.45 C ATOM 7 SD MET A 1 19.118 5.305 6.547 1.00 55.41 S ATOM 8 CE MET A 1 19.413 4.116 7.853 1.00 63.31 C ATOM 0 H1 MET A 1 14.996 6.817 5.632 1.00 72.43 H new ATOM 0 H2 MET A 1 14.002 7.750 6.643 1.00 72.43 H new ATOM 0 H3 MET A 1 15.668 8.069 6.562 1.00 72.43 H new ATOM 0 HA MET A 1 14.668 5.430 7.441 1.00 72.02 H new ATOM 0 HB2 MET A 1 17.239 6.965 8.006 1.00 51.43 H new ATOM 0 HB3 MET A 1 16.848 5.371 8.621 1.00 51.43 H new ATOM 0 HG2 MET A 1 16.898 4.406 6.388 1.00 54.45 H new ATOM 0 HG3 MET A 1 17.003 5.988 5.641 1.00 54.45 H new ATOM 0 HE1 MET A 1 20.485 3.952 7.961 1.00 63.31 H new ATOM 0 HE2 MET A 1 19.008 4.497 8.790 1.00 63.31 H new ATOM 0 HE3 MET A 1 18.925 3.173 7.604 1.00 63.31 H new ATOM 20 N GLY A 2 14.707 8.276 9.118 1.00 72.53 N ATOM 21 CA GLY A 2 14.135 8.983 10.271 1.00 24.33 C ATOM 22 C GLY A 2 15.184 9.386 11.296 1.00 1.13 C ATOM 23 O GLY A 2 14.928 9.336 12.505 1.00 61.21 O ATOM 0 H GLY A 2 15.185 8.886 8.455 1.00 72.53 H new ATOM 0 HA2 GLY A 2 13.613 9.874 9.922 1.00 24.33 H new ATOM 0 HA3 GLY A 2 13.392 8.345 10.750 1.00 24.33 H new ATOM 27 N HIS A 3 16.377 9.788 10.812 1.00 54.12 N ATOM 28 CA HIS A 3 17.479 10.238 11.684 1.00 14.33 C ATOM 29 C HIS A 3 17.156 11.635 12.240 1.00 55.14 C ATOM 30 O HIS A 3 17.056 12.600 11.477 1.00 74.22 O ATOM 31 CB HIS A 3 18.834 10.245 10.917 1.00 11.10 C ATOM 32 CG HIS A 3 19.288 8.889 10.450 1.00 5.32 C ATOM 33 ND1 HIS A 3 20.197 8.709 9.430 1.00 62.43 N ATOM 34 CD2 HIS A 3 18.970 7.647 10.882 1.00 70.20 C ATOM 35 CE1 HIS A 3 20.416 7.423 9.261 1.00 2.14 C ATOM 36 NE2 HIS A 3 19.682 6.758 10.131 1.00 22.34 N ATOM 0 H HIS A 3 16.601 9.810 9.817 1.00 54.12 H new ATOM 0 HA HIS A 3 17.579 9.539 12.514 1.00 14.33 H new ATOM 0 HB2 HIS A 3 18.745 10.903 10.053 1.00 11.10 H new ATOM 0 HB3 HIS A 3 19.602 10.670 11.564 1.00 11.10 H new ATOM 0 HD1 HIS A 3 20.632 9.457 8.890 1.00 62.43 H new ATOM 0 HD2 HIS A 3 18.279 7.404 11.676 1.00 70.20 H new ATOM 0 HE1 HIS A 3 21.084 6.986 8.533 1.00 2.14 H new ATOM 45 N HIS A 4 16.962 11.712 13.568 1.00 61.43 N ATOM 46 CA HIS A 4 16.634 12.958 14.280 1.00 42.41 C ATOM 47 C HIS A 4 17.902 13.833 14.380 1.00 41.40 C ATOM 48 O HIS A 4 18.590 13.857 15.405 1.00 54.01 O ATOM 49 CB HIS A 4 16.046 12.613 15.679 1.00 35.22 C ATOM 50 CG HIS A 4 15.486 13.785 16.453 1.00 44.34 C ATOM 51 ND1 HIS A 4 16.252 14.573 17.284 1.00 55.22 N ATOM 52 CD2 HIS A 4 14.228 14.289 16.523 1.00 12.53 C ATOM 53 CE1 HIS A 4 15.495 15.507 17.827 1.00 65.31 C ATOM 54 NE2 HIS A 4 14.262 15.358 17.380 1.00 32.21 N ATOM 0 H HIS A 4 17.029 10.901 14.183 1.00 61.43 H new ATOM 0 HA HIS A 4 15.879 13.526 13.736 1.00 42.41 H new ATOM 0 HB2 HIS A 4 15.256 11.873 15.550 1.00 35.22 H new ATOM 0 HB3 HIS A 4 16.827 12.144 16.277 1.00 35.22 H new ATOM 0 HD2 HIS A 4 13.360 13.916 16.000 1.00 12.53 H new ATOM 0 HE1 HIS A 4 15.828 16.265 18.520 1.00 65.31 H new ATOM 0 HE2 HIS A 4 13.465 15.943 17.631 1.00 32.21 H new ATOM 63 N HIS A 5 18.231 14.492 13.262 1.00 63.13 N ATOM 64 CA HIS A 5 19.413 15.375 13.131 1.00 62.41 C ATOM 65 C HIS A 5 18.975 16.743 12.551 1.00 42.54 C ATOM 66 O HIS A 5 19.808 17.608 12.280 1.00 43.31 O ATOM 67 CB HIS A 5 20.488 14.676 12.235 1.00 3.15 C ATOM 68 CG HIS A 5 21.864 15.326 12.229 1.00 62.03 C ATOM 69 ND1 HIS A 5 22.831 15.035 13.165 1.00 0.32 N ATOM 70 CD2 HIS A 5 22.431 16.236 11.388 1.00 41.11 C ATOM 71 CE1 HIS A 5 23.921 15.732 12.908 1.00 45.33 C ATOM 72 NE2 HIS A 5 23.704 16.468 11.839 1.00 71.22 N ATOM 0 H HIS A 5 17.680 14.431 12.406 1.00 63.13 H new ATOM 0 HA HIS A 5 19.861 15.557 14.108 1.00 62.41 H new ATOM 0 HB2 HIS A 5 20.595 13.643 12.567 1.00 3.15 H new ATOM 0 HB3 HIS A 5 20.116 14.645 11.211 1.00 3.15 H new ATOM 0 HD2 HIS A 5 21.964 16.690 10.526 1.00 41.11 H new ATOM 0 HE1 HIS A 5 24.837 15.703 13.479 1.00 45.33 H new ATOM 0 HE2 HIS A 5 24.375 17.108 11.414 1.00 71.22 H new ATOM 81 N HIS A 6 17.648 16.931 12.397 1.00 34.41 N ATOM 82 CA HIS A 6 17.051 18.178 11.886 1.00 51.51 C ATOM 83 C HIS A 6 17.077 19.265 12.985 1.00 61.30 C ATOM 84 O HIS A 6 16.172 19.351 13.826 1.00 71.50 O ATOM 85 CB HIS A 6 15.601 17.905 11.377 1.00 41.40 C ATOM 86 CG HIS A 6 14.846 19.127 10.899 1.00 4.22 C ATOM 87 ND1 HIS A 6 14.975 19.637 9.631 1.00 55.42 N ATOM 88 CD2 HIS A 6 13.938 19.922 11.525 1.00 13.04 C ATOM 89 CE1 HIS A 6 14.190 20.683 9.500 1.00 12.10 C ATOM 90 NE2 HIS A 6 13.553 20.880 10.632 1.00 2.32 N ATOM 0 H HIS A 6 16.958 16.216 12.626 1.00 34.41 H new ATOM 0 HA HIS A 6 17.636 18.545 11.042 1.00 51.51 H new ATOM 0 HB2 HIS A 6 15.649 17.185 10.560 1.00 41.40 H new ATOM 0 HB3 HIS A 6 15.033 17.438 12.181 1.00 41.40 H new ATOM 0 HD2 HIS A 6 13.586 19.815 12.541 1.00 13.04 H new ATOM 0 HE1 HIS A 6 14.086 21.282 8.608 1.00 12.10 H new ATOM 0 HE2 HIS A 6 12.881 21.626 10.814 1.00 2.32 H new ATOM 99 N HIS A 7 18.169 20.033 13.008 1.00 55.40 N ATOM 100 CA HIS A 7 18.310 21.221 13.871 1.00 3.31 C ATOM 101 C HIS A 7 17.982 22.479 13.058 1.00 13.51 C ATOM 102 O HIS A 7 17.197 23.325 13.489 1.00 43.50 O ATOM 103 CB HIS A 7 19.746 21.314 14.440 1.00 72.43 C ATOM 104 CG HIS A 7 20.123 20.205 15.390 1.00 4.53 C ATOM 105 ND1 HIS A 7 20.137 20.358 16.758 1.00 73.13 N ATOM 106 CD2 HIS A 7 20.526 18.936 15.156 1.00 63.51 C ATOM 107 CE1 HIS A 7 20.536 19.236 17.321 1.00 74.54 C ATOM 108 NE2 HIS A 7 20.782 18.358 16.370 1.00 41.42 N ATOM 0 H HIS A 7 18.988 19.852 12.427 1.00 55.40 H new ATOM 0 HA HIS A 7 17.617 21.137 14.708 1.00 3.31 H new ATOM 0 HB2 HIS A 7 20.451 21.317 13.609 1.00 72.43 H new ATOM 0 HB3 HIS A 7 19.856 22.268 14.955 1.00 72.43 H new ATOM 0 HD2 HIS A 7 20.627 18.465 14.189 1.00 63.51 H new ATOM 0 HE1 HIS A 7 20.643 19.065 18.382 1.00 74.54 H new ATOM 0 HE2 HIS A 7 21.110 17.403 16.515 1.00 41.42 H new ATOM 117 N HIS A 8 18.589 22.570 11.862 1.00 1.11 N ATOM 118 CA HIS A 8 18.452 23.721 10.946 1.00 14.12 C ATOM 119 C HIS A 8 18.338 23.201 9.501 1.00 74.32 C ATOM 120 O HIS A 8 18.895 22.146 9.176 1.00 41.11 O ATOM 121 CB HIS A 8 19.669 24.678 11.095 1.00 10.21 C ATOM 122 CG HIS A 8 20.996 24.075 10.684 1.00 62.44 C ATOM 123 ND1 HIS A 8 21.675 24.457 9.550 1.00 44.51 N ATOM 124 CD2 HIS A 8 21.752 23.104 11.256 1.00 72.33 C ATOM 125 CE1 HIS A 8 22.779 23.748 9.442 1.00 53.21 C ATOM 126 NE2 HIS A 8 22.849 22.920 10.465 1.00 14.45 N ATOM 0 H HIS A 8 19.197 21.837 11.497 1.00 1.11 H new ATOM 0 HA HIS A 8 17.553 24.284 11.196 1.00 14.12 H new ATOM 0 HB2 HIS A 8 19.489 25.571 10.496 1.00 10.21 H new ATOM 0 HB3 HIS A 8 19.737 25.000 12.134 1.00 10.21 H new ATOM 0 HD2 HIS A 8 21.527 22.574 12.170 1.00 72.33 H new ATOM 0 HE1 HIS A 8 23.506 23.831 8.648 1.00 53.21 H new ATOM 0 HE2 HIS A 8 23.600 22.251 10.637 1.00 14.45 H new ATOM 135 N SER A 9 17.632 23.946 8.643 1.00 31.41 N ATOM 136 CA SER A 9 17.350 23.519 7.261 1.00 5.43 C ATOM 137 C SER A 9 16.941 24.722 6.397 1.00 61.23 C ATOM 138 O SER A 9 16.816 25.851 6.893 1.00 52.24 O ATOM 139 CB SER A 9 16.236 22.441 7.276 1.00 52.31 C ATOM 140 OG SER A 9 15.970 21.919 5.987 1.00 13.42 O ATOM 0 H SER A 9 17.241 24.857 8.882 1.00 31.41 H new ATOM 0 HA SER A 9 18.252 23.090 6.823 1.00 5.43 H new ATOM 0 HB2 SER A 9 16.530 21.628 7.940 1.00 52.31 H new ATOM 0 HB3 SER A 9 15.323 22.873 7.685 1.00 52.31 H new ATOM 0 HG SER A 9 15.520 21.052 6.071 1.00 13.42 H new ATOM 146 N HIS A 10 16.748 24.461 5.097 1.00 55.44 N ATOM 147 CA HIS A 10 16.269 25.457 4.122 1.00 3.12 C ATOM 148 C HIS A 10 14.771 25.782 4.337 1.00 4.32 C ATOM 149 O HIS A 10 14.094 25.120 5.137 1.00 31.10 O ATOM 150 CB HIS A 10 16.530 24.937 2.687 1.00 34.25 C ATOM 151 CG HIS A 10 17.993 24.837 2.340 1.00 35.04 C ATOM 152 ND1 HIS A 10 18.601 23.667 1.949 1.00 5.30 N ATOM 153 CD2 HIS A 10 18.965 25.782 2.332 1.00 74.04 C ATOM 154 CE1 HIS A 10 19.877 23.894 1.716 1.00 35.34 C ATOM 155 NE2 HIS A 10 20.122 25.168 1.939 1.00 33.51 N ATOM 0 H HIS A 10 16.921 23.544 4.686 1.00 55.44 H new ATOM 0 HA HIS A 10 16.819 26.387 4.268 1.00 3.12 H new ATOM 0 HB2 HIS A 10 16.071 23.955 2.576 1.00 34.25 H new ATOM 0 HB3 HIS A 10 16.040 25.600 1.974 1.00 34.25 H new ATOM 0 HD2 HIS A 10 18.848 26.825 2.588 1.00 74.04 H new ATOM 0 HE1 HIS A 10 20.601 23.159 1.396 1.00 35.34 H new ATOM 0 HE2 HIS A 10 21.029 25.624 1.835 1.00 33.51 H new ATOM 164 N MET A 11 14.280 26.815 3.611 1.00 21.23 N ATOM 165 CA MET A 11 12.875 27.298 3.692 1.00 0.33 C ATOM 166 C MET A 11 11.904 26.138 3.411 1.00 12.22 C ATOM 167 O MET A 11 10.974 25.870 4.176 1.00 20.14 O ATOM 168 CB MET A 11 12.651 28.454 2.673 1.00 62.45 C ATOM 169 CG MET A 11 13.571 29.667 2.869 1.00 43.33 C ATOM 170 SD MET A 11 13.369 30.909 1.577 1.00 42.12 S ATOM 171 CE MET A 11 14.642 32.095 2.013 1.00 34.34 C ATOM 0 H MET A 11 14.849 27.342 2.948 1.00 21.23 H new ATOM 0 HA MET A 11 12.684 27.677 4.696 1.00 0.33 H new ATOM 0 HB2 MET A 11 12.795 28.065 1.665 1.00 62.45 H new ATOM 0 HB3 MET A 11 11.615 28.786 2.742 1.00 62.45 H new ATOM 0 HG2 MET A 11 13.366 30.121 3.839 1.00 43.33 H new ATOM 0 HG3 MET A 11 14.608 29.332 2.887 1.00 43.33 H new ATOM 0 HE1 MET A 11 14.633 32.918 1.298 1.00 34.34 H new ATOM 0 HE2 MET A 11 14.452 32.481 3.014 1.00 34.34 H new ATOM 0 HE3 MET A 11 15.616 31.607 1.992 1.00 34.34 H new ATOM 181 N ASN A 12 12.172 25.454 2.300 1.00 33.34 N ATOM 182 CA ASN A 12 11.582 24.161 1.955 1.00 63.10 C ATOM 183 C ASN A 12 12.735 23.264 1.484 1.00 64.13 C ATOM 184 O ASN A 12 13.196 23.427 0.344 1.00 3.10 O ATOM 185 CB ASN A 12 10.504 24.295 0.835 1.00 4.54 C ATOM 186 CG ASN A 12 9.269 25.117 1.219 1.00 74.34 C ATOM 187 OD1 ASN A 12 8.717 25.838 0.394 1.00 13.15 O ATOM 188 ND2 ASN A 12 8.804 24.994 2.453 1.00 21.22 N ATOM 0 H ASN A 12 12.825 25.794 1.594 1.00 33.34 H new ATOM 0 HA ASN A 12 11.073 23.738 2.821 1.00 63.10 H new ATOM 0 HB2 ASN A 12 10.967 24.750 -0.041 1.00 4.54 H new ATOM 0 HB3 ASN A 12 10.180 23.296 0.542 1.00 4.54 H new ATOM 0 HD21 ASN A 12 7.968 25.505 2.736 1.00 21.22 H new ATOM 0 HD22 ASN A 12 9.282 24.388 3.120 1.00 21.22 H new ATOM 195 N PRO A 13 13.267 22.340 2.360 1.00 45.12 N ATOM 196 CA PRO A 13 14.328 21.376 1.955 1.00 31.01 C ATOM 197 C PRO A 13 13.869 20.517 0.762 1.00 31.20 C ATOM 198 O PRO A 13 14.667 20.150 -0.102 1.00 43.42 O ATOM 199 CB PRO A 13 14.557 20.515 3.230 1.00 52.20 C ATOM 200 CG PRO A 13 13.343 20.748 4.086 1.00 31.14 C ATOM 201 CD PRO A 13 12.891 22.165 3.790 1.00 63.02 C ATOM 0 HA PRO A 13 15.241 21.867 1.620 1.00 31.01 H new ATOM 0 HB2 PRO A 13 14.665 19.460 2.979 1.00 52.20 H new ATOM 0 HB3 PRO A 13 15.468 20.814 3.749 1.00 52.20 H new ATOM 0 HG2 PRO A 13 12.557 20.030 3.852 1.00 31.14 H new ATOM 0 HG3 PRO A 13 13.581 20.627 5.143 1.00 31.14 H new ATOM 0 HD2 PRO A 13 11.819 22.288 3.944 1.00 63.02 H new ATOM 0 HD3 PRO A 13 13.391 22.891 4.431 1.00 63.02 H new ATOM 209 N ASP A 14 12.557 20.242 0.738 1.00 53.20 N ATOM 210 CA ASP A 14 11.894 19.528 -0.345 1.00 53.14 C ATOM 211 C ASP A 14 10.429 19.970 -0.360 1.00 44.52 C ATOM 212 O ASP A 14 9.662 19.624 0.538 1.00 1.53 O ATOM 213 CB ASP A 14 12.035 17.988 -0.148 1.00 44.24 C ATOM 214 CG ASP A 14 11.268 17.141 -1.171 1.00 64.23 C ATOM 215 OD1 ASP A 14 11.452 17.356 -2.390 1.00 22.21 O ATOM 216 OD2 ASP A 14 10.499 16.244 -0.766 1.00 64.01 O ATOM 0 H ASP A 14 11.922 20.518 1.487 1.00 53.20 H new ATOM 0 HA ASP A 14 12.354 19.761 -1.305 1.00 53.14 H new ATOM 0 HB2 ASP A 14 13.091 17.724 -0.196 1.00 44.24 H new ATOM 0 HB3 ASP A 14 11.687 17.729 0.852 1.00 44.24 H new ATOM 221 N LEU A 15 10.056 20.763 -1.377 1.00 1.05 N ATOM 222 CA LEU A 15 8.677 21.256 -1.559 1.00 21.51 C ATOM 223 C LEU A 15 7.692 20.066 -1.654 1.00 73.30 C ATOM 224 O LEU A 15 6.549 20.137 -1.189 1.00 22.31 O ATOM 225 CB LEU A 15 8.571 22.160 -2.823 1.00 43.42 C ATOM 226 CG LEU A 15 9.419 23.490 -2.818 1.00 21.53 C ATOM 227 CD1 LEU A 15 10.915 23.258 -3.132 1.00 41.14 C ATOM 228 CD2 LEU A 15 8.815 24.549 -3.771 1.00 74.14 C ATOM 0 H LEU A 15 10.702 21.082 -2.099 1.00 1.05 H new ATOM 0 HA LEU A 15 8.411 21.861 -0.692 1.00 21.51 H new ATOM 0 HB2 LEU A 15 8.870 21.570 -3.689 1.00 43.42 H new ATOM 0 HB3 LEU A 15 7.523 22.425 -2.964 1.00 43.42 H new ATOM 0 HG LEU A 15 9.370 23.873 -1.799 1.00 21.53 H new ATOM 0 HD11 LEU A 15 11.443 24.211 -3.113 1.00 41.14 H new ATOM 0 HD12 LEU A 15 11.344 22.591 -2.385 1.00 41.14 H new ATOM 0 HD13 LEU A 15 11.014 22.808 -4.120 1.00 41.14 H new ATOM 0 HD21 LEU A 15 9.424 25.453 -3.743 1.00 74.14 H new ATOM 0 HD22 LEU A 15 8.796 24.155 -4.787 1.00 74.14 H new ATOM 0 HD23 LEU A 15 7.799 24.786 -3.455 1.00 74.14 H new ATOM 240 N ALA A 16 8.199 18.956 -2.203 1.00 75.00 N ATOM 241 CA ALA A 16 7.451 17.718 -2.399 1.00 74.23 C ATOM 242 C ALA A 16 7.067 17.028 -1.070 1.00 64.43 C ATOM 243 O ALA A 16 6.137 16.212 -1.041 1.00 74.44 O ATOM 244 CB ALA A 16 8.274 16.785 -3.280 1.00 1.25 C ATOM 0 H ALA A 16 9.164 18.897 -2.529 1.00 75.00 H new ATOM 0 HA ALA A 16 6.508 17.965 -2.887 1.00 74.23 H new ATOM 0 HB1 ALA A 16 7.727 15.855 -3.435 1.00 1.25 H new ATOM 0 HB2 ALA A 16 8.459 17.262 -4.242 1.00 1.25 H new ATOM 0 HB3 ALA A 16 9.225 16.570 -2.793 1.00 1.25 H new ATOM 250 N LEU A 17 7.782 17.335 0.034 1.00 72.21 N ATOM 251 CA LEU A 17 7.433 16.789 1.360 1.00 21.50 C ATOM 252 C LEU A 17 6.239 17.570 1.943 1.00 33.44 C ATOM 253 O LEU A 17 5.518 17.059 2.800 1.00 21.02 O ATOM 254 CB LEU A 17 8.682 16.755 2.318 1.00 2.01 C ATOM 255 CG LEU A 17 9.029 18.046 3.163 1.00 42.23 C ATOM 256 CD1 LEU A 17 8.268 18.079 4.509 1.00 34.10 C ATOM 257 CD2 LEU A 17 10.547 18.179 3.405 1.00 51.44 C ATOM 0 H LEU A 17 8.595 17.951 0.033 1.00 72.21 H new ATOM 0 HA LEU A 17 7.123 15.750 1.253 1.00 21.50 H new ATOM 0 HB2 LEU A 17 8.539 15.931 3.017 1.00 2.01 H new ATOM 0 HB3 LEU A 17 9.555 16.512 1.713 1.00 2.01 H new ATOM 0 HG LEU A 17 8.701 18.899 2.570 1.00 42.23 H new ATOM 0 HD11 LEU A 17 8.536 18.982 5.057 1.00 34.10 H new ATOM 0 HD12 LEU A 17 7.194 18.074 4.320 1.00 34.10 H new ATOM 0 HD13 LEU A 17 8.536 17.203 5.100 1.00 34.10 H new ATOM 0 HD21 LEU A 17 10.745 19.078 3.989 1.00 51.44 H new ATOM 0 HD22 LEU A 17 10.906 17.306 3.950 1.00 51.44 H new ATOM 0 HD23 LEU A 17 11.063 18.247 2.448 1.00 51.44 H new ATOM 269 N MET A 18 6.021 18.798 1.442 1.00 41.04 N ATOM 270 CA MET A 18 4.964 19.692 1.949 1.00 10.22 C ATOM 271 C MET A 18 3.582 19.260 1.409 1.00 4.32 C ATOM 272 O MET A 18 2.573 19.352 2.117 1.00 72.44 O ATOM 273 CB MET A 18 5.291 21.162 1.573 1.00 32.01 C ATOM 274 CG MET A 18 6.656 21.642 2.107 1.00 44.43 C ATOM 275 SD MET A 18 6.729 21.635 3.917 1.00 23.25 S ATOM 276 CE MET A 18 8.447 22.058 4.226 1.00 53.50 C ATOM 0 H MET A 18 6.568 19.197 0.679 1.00 41.04 H new ATOM 0 HA MET A 18 4.925 19.621 3.036 1.00 10.22 H new ATOM 0 HB2 MET A 18 5.278 21.263 0.488 1.00 32.01 H new ATOM 0 HB3 MET A 18 4.508 21.812 1.963 1.00 32.01 H new ATOM 0 HG2 MET A 18 7.444 21.001 1.712 1.00 44.43 H new ATOM 0 HG3 MET A 18 6.852 22.650 1.742 1.00 44.43 H new ATOM 0 HE1 MET A 18 8.877 21.344 4.928 1.00 53.50 H new ATOM 0 HE2 MET A 18 9.004 22.026 3.289 1.00 53.50 H new ATOM 0 HE3 MET A 18 8.504 23.061 4.648 1.00 53.50 H new ATOM 286 N VAL A 19 3.559 18.751 0.165 1.00 41.11 N ATOM 287 CA VAL A 19 2.314 18.329 -0.513 1.00 71.42 C ATOM 288 C VAL A 19 1.817 16.950 -0.003 1.00 52.31 C ATOM 289 O VAL A 19 0.620 16.647 -0.076 1.00 41.45 O ATOM 290 CB VAL A 19 2.508 18.312 -2.074 1.00 61.53 C ATOM 291 CG1 VAL A 19 3.574 17.284 -2.499 1.00 53.34 C ATOM 292 CG2 VAL A 19 1.175 18.080 -2.831 1.00 23.42 C ATOM 0 H VAL A 19 4.398 18.620 -0.400 1.00 41.11 H new ATOM 0 HA VAL A 19 1.545 19.061 -0.268 1.00 71.42 H new ATOM 0 HB VAL A 19 2.866 19.303 -2.354 1.00 61.53 H new ATOM 0 HG11 VAL A 19 3.682 17.299 -3.584 1.00 53.34 H new ATOM 0 HG12 VAL A 19 4.528 17.536 -2.036 1.00 53.34 H new ATOM 0 HG13 VAL A 19 3.267 16.288 -2.179 1.00 53.34 H new ATOM 0 HG21 VAL A 19 1.362 18.077 -3.905 1.00 23.42 H new ATOM 0 HG22 VAL A 19 0.750 17.121 -2.534 1.00 23.42 H new ATOM 0 HG23 VAL A 19 0.474 18.879 -2.587 1.00 23.42 H new ATOM 302 N LYS A 20 2.735 16.111 0.522 1.00 24.40 N ATOM 303 CA LYS A 20 2.357 14.802 1.097 1.00 65.15 C ATOM 304 C LYS A 20 1.757 14.981 2.507 1.00 41.23 C ATOM 305 O LYS A 20 1.037 14.101 2.981 1.00 63.33 O ATOM 306 CB LYS A 20 3.558 13.820 1.133 1.00 30.24 C ATOM 307 CG LYS A 20 4.607 14.079 2.239 1.00 22.13 C ATOM 308 CD LYS A 20 5.746 13.032 2.242 1.00 34.32 C ATOM 309 CE LYS A 20 6.609 13.088 0.975 1.00 15.32 C ATOM 310 NZ LYS A 20 7.694 12.090 0.998 1.00 3.13 N ATOM 0 H LYS A 20 3.734 16.314 0.560 1.00 24.40 H new ATOM 0 HA LYS A 20 1.598 14.366 0.447 1.00 65.15 H new ATOM 0 HB2 LYS A 20 3.172 12.808 1.255 1.00 30.24 H new ATOM 0 HB3 LYS A 20 4.061 13.855 0.166 1.00 30.24 H new ATOM 0 HG2 LYS A 20 5.034 15.073 2.103 1.00 22.13 H new ATOM 0 HG3 LYS A 20 4.113 14.074 3.210 1.00 22.13 H new ATOM 0 HD2 LYS A 20 6.379 13.193 3.115 1.00 34.32 H new ATOM 0 HD3 LYS A 20 5.316 12.035 2.340 1.00 34.32 H new ATOM 0 HE2 LYS A 20 5.980 12.919 0.101 1.00 15.32 H new ATOM 0 HE3 LYS A 20 7.037 14.085 0.872 1.00 15.32 H new ATOM 0 HZ1 LYS A 20 8.302 12.219 0.164 1.00 3.13 H new ATOM 0 HZ2 LYS A 20 8.260 12.213 1.862 1.00 3.13 H new ATOM 0 HZ3 LYS A 20 7.286 11.133 0.984 1.00 3.13 H new ATOM 324 N ASN A 21 2.078 16.122 3.163 1.00 40.40 N ATOM 325 CA ASN A 21 1.549 16.467 4.503 1.00 34.41 C ATOM 326 C ASN A 21 0.037 16.718 4.436 1.00 61.21 C ATOM 327 O ASN A 21 -0.716 16.262 5.301 1.00 23.52 O ATOM 328 CB ASN A 21 2.266 17.711 5.091 1.00 0.33 C ATOM 329 CG ASN A 21 3.762 17.497 5.339 1.00 12.32 C ATOM 330 OD1 ASN A 21 4.210 16.386 5.623 1.00 61.00 O ATOM 331 ND2 ASN A 21 4.544 18.560 5.235 1.00 44.32 N ATOM 0 H ASN A 21 2.708 16.826 2.779 1.00 40.40 H new ATOM 0 HA ASN A 21 1.741 15.620 5.161 1.00 34.41 H new ATOM 0 HB2 ASN A 21 2.136 18.551 4.409 1.00 0.33 H new ATOM 0 HB3 ASN A 21 1.786 17.986 6.030 1.00 0.33 H new ATOM 0 HD21 ASN A 21 5.548 18.472 5.392 1.00 44.32 H new ATOM 0 HD22 ASN A 21 4.143 19.467 4.998 1.00 44.32 H new ATOM 338 N LYS A 22 -0.401 17.448 3.400 1.00 64.11 N ATOM 339 CA LYS A 22 -1.830 17.671 3.145 1.00 42.02 C ATOM 340 C LYS A 22 -2.454 16.423 2.485 1.00 61.42 C ATOM 341 O LYS A 22 -3.599 16.065 2.782 1.00 35.43 O ATOM 342 CB LYS A 22 -2.009 18.948 2.284 1.00 44.15 C ATOM 343 CG LYS A 22 -1.304 18.919 0.910 1.00 42.15 C ATOM 344 CD LYS A 22 -1.327 20.278 0.183 1.00 34.32 C ATOM 345 CE LYS A 22 -2.744 20.739 -0.206 1.00 22.04 C ATOM 346 NZ LYS A 22 -2.757 22.125 -0.746 1.00 42.30 N ATOM 0 H LYS A 22 0.217 17.895 2.723 1.00 64.11 H new ATOM 0 HA LYS A 22 -2.357 17.830 4.086 1.00 42.02 H new ATOM 0 HB2 LYS A 22 -3.075 19.113 2.124 1.00 44.15 H new ATOM 0 HB3 LYS A 22 -1.635 19.803 2.848 1.00 44.15 H new ATOM 0 HG2 LYS A 22 -0.269 18.606 1.047 1.00 42.15 H new ATOM 0 HG3 LYS A 22 -1.783 18.170 0.280 1.00 42.15 H new ATOM 0 HD2 LYS A 22 -0.871 21.032 0.824 1.00 34.32 H new ATOM 0 HD3 LYS A 22 -0.715 20.211 -0.716 1.00 34.32 H new ATOM 0 HE2 LYS A 22 -3.154 20.057 -0.951 1.00 22.04 H new ATOM 0 HE3 LYS A 22 -3.394 20.685 0.667 1.00 22.04 H new ATOM 0 HZ1 LYS A 22 -3.731 22.392 -0.994 1.00 42.30 H new ATOM 0 HZ2 LYS A 22 -2.391 22.781 -0.027 1.00 42.30 H new ATOM 0 HZ3 LYS A 22 -2.158 22.172 -1.595 1.00 42.30 H new ATOM 360 N GLY A 23 -1.653 15.752 1.627 1.00 42.32 N ATOM 361 CA GLY A 23 -2.073 14.550 0.903 1.00 0.32 C ATOM 362 C GLY A 23 -2.585 13.428 1.804 1.00 64.32 C ATOM 363 O GLY A 23 -3.701 12.926 1.610 1.00 11.05 O ATOM 0 H GLY A 23 -0.695 16.037 1.423 1.00 42.32 H new ATOM 0 HA2 GLY A 23 -2.857 14.820 0.196 1.00 0.32 H new ATOM 0 HA3 GLY A 23 -1.231 14.177 0.319 1.00 0.32 H new ATOM 367 N ASN A 24 -1.769 13.046 2.801 1.00 34.24 N ATOM 368 CA ASN A 24 -2.111 11.968 3.742 1.00 44.12 C ATOM 369 C ASN A 24 -3.186 12.395 4.750 1.00 3.40 C ATOM 370 O ASN A 24 -3.933 11.541 5.250 1.00 21.12 O ATOM 371 CB ASN A 24 -0.839 11.413 4.472 1.00 24.52 C ATOM 372 CG ASN A 24 -0.237 12.297 5.577 1.00 11.00 C ATOM 373 OD1 ASN A 24 -0.257 13.602 5.413 1.00 10.41 O flip ATOM 374 ND2 ASN A 24 0.301 11.786 6.559 1.00 5.41 N flip ATOM 0 H ASN A 24 -0.859 13.473 2.976 1.00 34.24 H new ATOM 0 HA ASN A 24 -2.534 11.158 3.147 1.00 44.12 H new ATOM 0 HB2 ASN A 24 -1.092 10.447 4.909 1.00 24.52 H new ATOM 0 HB3 ASN A 24 -0.068 11.232 3.723 1.00 24.52 H new ATOM 0 HD21 ASN A 24 0.306 10.772 6.668 1.00 5.41 H new ATOM 0 HD22 ASN A 24 0.742 12.377 7.264 1.00 5.41 H new ATOM 381 N GLU A 25 -3.270 13.712 5.049 1.00 65.35 N ATOM 382 CA GLU A 25 -4.234 14.216 6.036 1.00 32.52 C ATOM 383 C GLU A 25 -5.649 14.189 5.440 1.00 14.54 C ATOM 384 O GLU A 25 -6.589 13.931 6.174 1.00 51.00 O ATOM 385 CB GLU A 25 -3.867 15.642 6.578 1.00 70.23 C ATOM 386 CG GLU A 25 -4.535 16.845 5.868 1.00 44.05 C ATOM 387 CD GLU A 25 -4.155 18.198 6.484 1.00 1.44 C ATOM 388 OE1 GLU A 25 -3.050 18.704 6.199 1.00 74.41 O ATOM 389 OE2 GLU A 25 -4.947 18.749 7.277 1.00 75.41 O ATOM 0 H GLU A 25 -2.686 14.432 4.623 1.00 65.35 H new ATOM 0 HA GLU A 25 -4.196 13.553 6.900 1.00 32.52 H new ATOM 0 HB2 GLU A 25 -4.128 15.682 7.636 1.00 70.23 H new ATOM 0 HB3 GLU A 25 -2.786 15.764 6.512 1.00 70.23 H new ATOM 0 HG2 GLU A 25 -4.252 16.840 4.815 1.00 44.05 H new ATOM 0 HG3 GLU A 25 -5.618 16.726 5.908 1.00 44.05 H new ATOM 396 N CYS A 26 -5.776 14.451 4.106 1.00 4.52 N ATOM 397 CA CYS A 26 -7.079 14.442 3.388 1.00 72.14 C ATOM 398 C CYS A 26 -7.875 13.153 3.680 1.00 1.22 C ATOM 399 O CYS A 26 -9.068 13.206 3.987 1.00 42.34 O ATOM 400 CB CYS A 26 -6.861 14.590 1.872 1.00 70.51 C ATOM 401 SG CYS A 26 -6.098 16.148 1.387 1.00 50.23 S ATOM 0 H CYS A 26 -4.982 14.672 3.505 1.00 4.52 H new ATOM 0 HA CYS A 26 -7.659 15.290 3.751 1.00 72.14 H new ATOM 0 HB2 CYS A 26 -6.236 13.768 1.524 1.00 70.51 H new ATOM 0 HB3 CYS A 26 -7.822 14.496 1.367 1.00 70.51 H new ATOM 0 HG CYS A 26 -6.281 16.343 0.115 1.00 50.23 H new ATOM 407 N PHE A 27 -7.168 12.013 3.637 1.00 71.13 N ATOM 408 CA PHE A 27 -7.731 10.679 3.930 1.00 24.31 C ATOM 409 C PHE A 27 -8.350 10.658 5.354 1.00 13.13 C ATOM 410 O PHE A 27 -9.513 10.264 5.543 1.00 3.51 O ATOM 411 CB PHE A 27 -6.592 9.632 3.765 1.00 30.23 C ATOM 412 CG PHE A 27 -7.057 8.183 3.653 1.00 73.04 C ATOM 413 CD1 PHE A 27 -7.506 7.665 2.437 1.00 45.03 C ATOM 414 CD2 PHE A 27 -7.034 7.345 4.755 1.00 10.22 C ATOM 415 CE1 PHE A 27 -7.916 6.348 2.341 1.00 12.43 C ATOM 416 CE2 PHE A 27 -7.443 6.032 4.662 1.00 21.34 C ATOM 417 CZ PHE A 27 -7.884 5.534 3.458 1.00 25.25 C ATOM 0 H PHE A 27 -6.177 11.988 3.395 1.00 71.13 H new ATOM 0 HA PHE A 27 -8.537 10.435 3.239 1.00 24.31 H new ATOM 0 HB2 PHE A 27 -6.016 9.882 2.874 1.00 30.23 H new ATOM 0 HB3 PHE A 27 -5.916 9.716 4.616 1.00 30.23 H new ATOM 0 HD1 PHE A 27 -7.533 8.299 1.563 1.00 45.03 H new ATOM 0 HD2 PHE A 27 -6.689 7.727 5.705 1.00 10.22 H new ATOM 0 HE1 PHE A 27 -8.261 5.956 1.395 1.00 12.43 H new ATOM 0 HE2 PHE A 27 -7.417 5.395 5.534 1.00 21.34 H new ATOM 0 HZ PHE A 27 -8.206 4.506 3.385 1.00 25.25 H new ATOM 427 N GLN A 28 -7.563 11.175 6.320 1.00 40.20 N ATOM 428 CA GLN A 28 -7.967 11.346 7.736 1.00 3.12 C ATOM 429 C GLN A 28 -9.143 12.351 7.868 1.00 4.14 C ATOM 430 O GLN A 28 -9.932 12.266 8.816 1.00 65.11 O ATOM 431 CB GLN A 28 -6.732 11.814 8.577 1.00 22.51 C ATOM 432 CG GLN A 28 -7.005 12.188 10.057 1.00 34.40 C ATOM 433 CD GLN A 28 -7.462 11.005 10.926 1.00 45.32 C ATOM 434 OE1 GLN A 28 -6.644 10.282 11.494 1.00 65.23 O ATOM 435 NE2 GLN A 28 -8.770 10.810 11.052 1.00 40.03 N ATOM 0 H GLN A 28 -6.611 11.492 6.137 1.00 40.20 H new ATOM 0 HA GLN A 28 -8.317 10.388 8.120 1.00 3.12 H new ATOM 0 HB2 GLN A 28 -5.985 11.020 8.558 1.00 22.51 H new ATOM 0 HB3 GLN A 28 -6.290 12.679 8.082 1.00 22.51 H new ATOM 0 HG2 GLN A 28 -6.098 12.613 10.487 1.00 34.40 H new ATOM 0 HG3 GLN A 28 -7.768 12.966 10.090 1.00 34.40 H new ATOM 0 HE21 GLN A 28 -9.426 11.425 10.570 1.00 40.03 H new ATOM 0 HE22 GLN A 28 -9.118 10.046 11.631 1.00 40.03 H new ATOM 444 N LYS A 29 -9.290 13.287 6.894 1.00 25.21 N ATOM 445 CA LYS A 29 -10.384 14.286 6.925 1.00 5.32 C ATOM 446 C LYS A 29 -11.709 13.641 6.463 1.00 54.24 C ATOM 447 O LYS A 29 -12.785 14.231 6.611 1.00 22.24 O ATOM 448 CB LYS A 29 -10.058 15.533 6.051 1.00 24.00 C ATOM 449 CG LYS A 29 -8.684 16.192 6.317 1.00 12.31 C ATOM 450 CD LYS A 29 -8.453 16.639 7.783 1.00 14.32 C ATOM 451 CE LYS A 29 -9.406 17.758 8.215 1.00 72.12 C ATOM 452 NZ LYS A 29 -9.159 18.225 9.600 1.00 41.44 N ATOM 0 H LYS A 29 -8.671 13.368 6.087 1.00 25.21 H new ATOM 0 HA LYS A 29 -10.489 14.626 7.955 1.00 5.32 H new ATOM 0 HB2 LYS A 29 -10.105 15.242 5.002 1.00 24.00 H new ATOM 0 HB3 LYS A 29 -10.836 16.280 6.209 1.00 24.00 H new ATOM 0 HG2 LYS A 29 -7.899 15.489 6.038 1.00 12.31 H new ATOM 0 HG3 LYS A 29 -8.581 17.060 5.666 1.00 12.31 H new ATOM 0 HD2 LYS A 29 -8.581 15.782 8.445 1.00 14.32 H new ATOM 0 HD3 LYS A 29 -7.424 16.979 7.897 1.00 14.32 H new ATOM 0 HE2 LYS A 29 -9.304 18.600 7.530 1.00 72.12 H new ATOM 0 HE3 LYS A 29 -10.434 17.404 8.134 1.00 72.12 H new ATOM 0 HZ1 LYS A 29 -9.833 18.981 9.837 1.00 41.44 H new ATOM 0 HZ2 LYS A 29 -9.283 17.432 10.261 1.00 41.44 H new ATOM 0 HZ3 LYS A 29 -8.188 18.590 9.675 1.00 41.44 H new ATOM 466 N GLY A 30 -11.614 12.406 5.923 1.00 65.30 N ATOM 467 CA GLY A 30 -12.763 11.689 5.371 1.00 3.12 C ATOM 468 C GLY A 30 -12.889 11.873 3.878 1.00 22.14 C ATOM 469 O GLY A 30 -13.849 11.395 3.273 1.00 15.14 O ATOM 0 H GLY A 30 -10.738 11.888 5.862 1.00 65.30 H new ATOM 0 HA2 GLY A 30 -12.669 10.627 5.597 1.00 3.12 H new ATOM 0 HA3 GLY A 30 -13.674 12.039 5.856 1.00 3.12 H new ATOM 473 N ASP A 31 -11.921 12.587 3.289 1.00 11.11 N ATOM 474 CA ASP A 31 -11.835 12.805 1.846 1.00 35.14 C ATOM 475 C ASP A 31 -10.951 11.716 1.219 1.00 72.44 C ATOM 476 O ASP A 31 -9.766 11.924 0.992 1.00 62.11 O ATOM 477 CB ASP A 31 -11.270 14.225 1.560 1.00 30.20 C ATOM 478 CG ASP A 31 -12.183 15.361 2.039 1.00 54.02 C ATOM 479 OD1 ASP A 31 -12.132 15.722 3.237 1.00 54.45 O ATOM 480 OD2 ASP A 31 -12.958 15.910 1.221 1.00 15.21 O ATOM 0 H ASP A 31 -11.167 13.034 3.811 1.00 11.11 H new ATOM 0 HA ASP A 31 -12.828 12.743 1.400 1.00 35.14 H new ATOM 0 HB2 ASP A 31 -10.298 14.324 2.044 1.00 30.20 H new ATOM 0 HB3 ASP A 31 -11.105 14.331 0.488 1.00 30.20 H new ATOM 485 N TYR A 32 -11.543 10.529 1.003 1.00 23.33 N ATOM 486 CA TYR A 32 -10.849 9.367 0.412 1.00 22.30 C ATOM 487 C TYR A 32 -10.461 9.610 -1.086 1.00 4.13 C ATOM 488 O TYR A 32 -9.305 9.351 -1.441 1.00 1.12 O ATOM 489 CB TYR A 32 -11.705 8.076 0.566 1.00 53.21 C ATOM 490 CG TYR A 32 -11.876 7.552 2.008 1.00 23.40 C ATOM 491 CD1 TYR A 32 -12.334 8.376 3.041 1.00 71.54 C ATOM 492 CD2 TYR A 32 -11.613 6.218 2.326 1.00 41.33 C ATOM 493 CE1 TYR A 32 -12.519 7.894 4.318 1.00 43.10 C ATOM 494 CE2 TYR A 32 -11.792 5.735 3.607 1.00 43.34 C ATOM 495 CZ TYR A 32 -12.248 6.577 4.598 1.00 43.32 C ATOM 496 OH TYR A 32 -12.437 6.093 5.871 1.00 62.33 O ATOM 0 H TYR A 32 -12.520 10.346 1.233 1.00 23.33 H new ATOM 0 HA TYR A 32 -9.918 9.231 0.963 1.00 22.30 H new ATOM 0 HB2 TYR A 32 -12.694 8.266 0.149 1.00 53.21 H new ATOM 0 HB3 TYR A 32 -11.252 7.288 -0.036 1.00 53.21 H new ATOM 0 HD1 TYR A 32 -12.548 9.414 2.833 1.00 71.54 H new ATOM 0 HD2 TYR A 32 -11.262 5.550 1.553 1.00 41.33 H new ATOM 0 HE1 TYR A 32 -12.876 8.550 5.098 1.00 43.10 H new ATOM 0 HE2 TYR A 32 -11.575 4.701 3.832 1.00 43.34 H new ATOM 0 HH TYR A 32 -12.200 5.143 5.898 1.00 62.33 H new ATOM 506 N PRO A 33 -11.396 10.095 -2.003 1.00 24.45 N ATOM 507 CA PRO A 33 -11.019 10.400 -3.407 1.00 1.23 C ATOM 508 C PRO A 33 -10.013 11.566 -3.480 1.00 24.43 C ATOM 509 O PRO A 33 -8.978 11.447 -4.143 1.00 41.42 O ATOM 510 CB PRO A 33 -12.366 10.743 -4.096 1.00 50.25 C ATOM 511 CG PRO A 33 -13.275 11.163 -2.982 1.00 40.04 C ATOM 512 CD PRO A 33 -12.856 10.344 -1.777 1.00 60.25 C ATOM 0 HA PRO A 33 -10.513 9.568 -3.896 1.00 1.23 H new ATOM 0 HB2 PRO A 33 -12.243 11.542 -4.828 1.00 50.25 H new ATOM 0 HB3 PRO A 33 -12.767 9.881 -4.629 1.00 50.25 H new ATOM 0 HG2 PRO A 33 -13.181 12.230 -2.782 1.00 40.04 H new ATOM 0 HG3 PRO A 33 -14.318 10.978 -3.237 1.00 40.04 H new ATOM 0 HD2 PRO A 33 -13.030 10.884 -0.846 1.00 60.25 H new ATOM 0 HD3 PRO A 33 -13.416 9.411 -1.714 1.00 60.25 H new ATOM 520 N GLN A 34 -10.302 12.677 -2.750 1.00 64.24 N ATOM 521 CA GLN A 34 -9.415 13.861 -2.714 1.00 15.14 C ATOM 522 C GLN A 34 -8.023 13.484 -2.172 1.00 33.43 C ATOM 523 O GLN A 34 -7.039 14.054 -2.609 1.00 24.33 O ATOM 524 CB GLN A 34 -9.999 15.012 -1.860 1.00 62.32 C ATOM 525 CG GLN A 34 -11.344 15.599 -2.333 1.00 52.02 C ATOM 526 CD GLN A 34 -11.293 16.239 -3.725 1.00 35.32 C ATOM 527 OE1 GLN A 34 -11.707 15.506 -4.742 1.00 73.21 O flip ATOM 528 NE2 GLN A 34 -10.935 17.406 -3.873 1.00 35.24 N flip ATOM 0 H GLN A 34 -11.143 12.772 -2.181 1.00 64.24 H new ATOM 0 HA GLN A 34 -9.329 14.213 -3.742 1.00 15.14 H new ATOM 0 HB2 GLN A 34 -10.123 14.651 -0.839 1.00 62.32 H new ATOM 0 HB3 GLN A 34 -9.267 15.819 -1.826 1.00 62.32 H new ATOM 0 HG2 GLN A 34 -12.093 14.807 -2.336 1.00 52.02 H new ATOM 0 HG3 GLN A 34 -11.675 16.347 -1.613 1.00 52.02 H new ATOM 0 HE21 GLN A 34 -10.620 17.949 -3.069 1.00 35.24 H new ATOM 0 HE22 GLN A 34 -10.953 17.831 -4.800 1.00 35.24 H new ATOM 537 N ALA A 35 -7.969 12.510 -1.228 1.00 63.13 N ATOM 538 CA ALA A 35 -6.695 11.964 -0.709 1.00 70.14 C ATOM 539 C ALA A 35 -5.873 11.370 -1.844 1.00 53.23 C ATOM 540 O ALA A 35 -4.673 11.616 -1.934 1.00 31.50 O ATOM 541 CB ALA A 35 -6.933 10.900 0.376 1.00 63.23 C ATOM 0 H ALA A 35 -8.798 12.087 -0.811 1.00 63.13 H new ATOM 0 HA ALA A 35 -6.145 12.789 -0.257 1.00 70.14 H new ATOM 0 HB1 ALA A 35 -5.974 10.523 0.732 1.00 63.23 H new ATOM 0 HB2 ALA A 35 -7.480 11.344 1.208 1.00 63.23 H new ATOM 0 HB3 ALA A 35 -7.514 10.078 -0.042 1.00 63.23 H new ATOM 547 N MET A 36 -6.567 10.648 -2.747 1.00 21.54 N ATOM 548 CA MET A 36 -5.929 9.933 -3.853 1.00 73.10 C ATOM 549 C MET A 36 -5.403 10.953 -4.882 1.00 64.43 C ATOM 550 O MET A 36 -4.314 10.782 -5.424 1.00 23.24 O ATOM 551 CB MET A 36 -6.948 8.924 -4.465 1.00 12.11 C ATOM 552 CG MET A 36 -6.453 8.104 -5.673 1.00 12.44 C ATOM 553 SD MET A 36 -6.323 9.061 -7.206 1.00 55.13 S ATOM 554 CE MET A 36 -8.008 9.648 -7.413 1.00 52.03 C ATOM 0 H MET A 36 -7.582 10.549 -2.724 1.00 21.54 H new ATOM 0 HA MET A 36 -5.072 9.357 -3.504 1.00 73.10 H new ATOM 0 HB2 MET A 36 -7.255 8.230 -3.682 1.00 12.11 H new ATOM 0 HB3 MET A 36 -7.838 9.477 -4.768 1.00 12.11 H new ATOM 0 HG2 MET A 36 -5.477 7.680 -5.437 1.00 12.44 H new ATOM 0 HG3 MET A 36 -7.133 7.267 -5.835 1.00 12.44 H new ATOM 0 HE1 MET A 36 -8.185 9.884 -8.462 1.00 52.03 H new ATOM 0 HE2 MET A 36 -8.705 8.873 -7.093 1.00 52.03 H new ATOM 0 HE3 MET A 36 -8.158 10.543 -6.809 1.00 52.03 H new ATOM 564 N LYS A 37 -6.178 12.042 -5.086 1.00 51.11 N ATOM 565 CA LYS A 37 -5.813 13.149 -5.996 1.00 41.54 C ATOM 566 C LYS A 37 -4.607 13.935 -5.443 1.00 32.40 C ATOM 567 O LYS A 37 -3.711 14.333 -6.188 1.00 21.41 O ATOM 568 CB LYS A 37 -7.010 14.118 -6.184 1.00 53.12 C ATOM 569 CG LYS A 37 -8.285 13.460 -6.735 1.00 74.43 C ATOM 570 CD LYS A 37 -9.432 14.477 -6.939 1.00 24.32 C ATOM 571 CE LYS A 37 -10.696 13.847 -7.547 1.00 13.24 C ATOM 572 NZ LYS A 37 -10.469 13.328 -8.925 1.00 21.05 N ATOM 0 H LYS A 37 -7.076 12.177 -4.622 1.00 51.11 H new ATOM 0 HA LYS A 37 -5.546 12.714 -6.959 1.00 41.54 H new ATOM 0 HB2 LYS A 37 -7.241 14.580 -5.224 1.00 53.12 H new ATOM 0 HB3 LYS A 37 -6.709 14.919 -6.859 1.00 53.12 H new ATOM 0 HG2 LYS A 37 -8.059 12.976 -7.685 1.00 74.43 H new ATOM 0 HG3 LYS A 37 -8.613 12.679 -6.049 1.00 74.43 H new ATOM 0 HD2 LYS A 37 -9.684 14.929 -5.980 1.00 24.32 H new ATOM 0 HD3 LYS A 37 -9.086 15.281 -7.589 1.00 24.32 H new ATOM 0 HE2 LYS A 37 -11.036 13.033 -6.907 1.00 13.24 H new ATOM 0 HE3 LYS A 37 -11.494 14.590 -7.569 1.00 13.24 H new ATOM 0 HZ1 LYS A 37 -11.375 13.022 -9.334 1.00 21.05 H new ATOM 0 HZ2 LYS A 37 -10.058 14.079 -9.515 1.00 21.05 H new ATOM 0 HZ3 LYS A 37 -9.815 12.520 -8.888 1.00 21.05 H new ATOM 586 N HIS A 38 -4.615 14.132 -4.113 1.00 12.14 N ATOM 587 CA HIS A 38 -3.581 14.897 -3.383 1.00 42.31 C ATOM 588 C HIS A 38 -2.296 14.067 -3.221 1.00 10.23 C ATOM 589 O HIS A 38 -1.219 14.616 -2.978 1.00 14.53 O ATOM 590 CB HIS A 38 -4.118 15.417 -2.021 1.00 31.35 C ATOM 591 CG HIS A 38 -5.142 16.531 -2.131 1.00 71.14 C ATOM 592 ND1 HIS A 38 -5.385 17.431 -1.119 1.00 1.23 N ATOM 593 CD2 HIS A 38 -6.002 16.869 -3.130 1.00 15.04 C ATOM 594 CE1 HIS A 38 -6.340 18.259 -1.487 1.00 41.34 C ATOM 595 NE2 HIS A 38 -6.729 17.939 -2.701 1.00 52.01 N ATOM 0 H HIS A 38 -5.346 13.762 -3.506 1.00 12.14 H new ATOM 0 HA HIS A 38 -3.326 15.775 -3.977 1.00 42.31 H new ATOM 0 HB2 HIS A 38 -4.564 14.583 -1.479 1.00 31.35 H new ATOM 0 HB3 HIS A 38 -3.277 15.772 -1.425 1.00 31.35 H new ATOM 0 HD1 HIS A 38 -4.900 17.453 -0.222 1.00 1.23 H new ATOM 0 HD2 HIS A 38 -6.092 16.379 -4.088 1.00 15.04 H new ATOM 0 HE1 HIS A 38 -6.738 19.067 -0.891 1.00 41.34 H new ATOM 604 N TYR A 39 -2.434 12.740 -3.338 1.00 64.11 N ATOM 605 CA TYR A 39 -1.301 11.826 -3.485 1.00 25.02 C ATOM 606 C TYR A 39 -0.765 11.864 -4.933 1.00 13.31 C ATOM 607 O TYR A 39 0.440 11.803 -5.136 1.00 13.01 O ATOM 608 CB TYR A 39 -1.707 10.380 -3.116 1.00 33.41 C ATOM 609 CG TYR A 39 -1.816 10.057 -1.621 1.00 3.42 C ATOM 610 CD1 TYR A 39 -0.839 10.486 -0.719 1.00 75.51 C ATOM 611 CD2 TYR A 39 -2.859 9.274 -1.123 1.00 0.50 C ATOM 612 CE1 TYR A 39 -0.906 10.154 0.614 1.00 12.20 C ATOM 613 CE2 TYR A 39 -2.920 8.929 0.205 1.00 73.31 C ATOM 614 CZ TYR A 39 -1.950 9.367 1.070 1.00 11.41 C ATOM 615 OH TYR A 39 -1.998 8.966 2.383 1.00 3.14 O ATOM 0 H TYR A 39 -3.340 12.271 -3.333 1.00 64.11 H new ATOM 0 HA TYR A 39 -0.515 12.151 -2.803 1.00 25.02 H new ATOM 0 HB2 TYR A 39 -2.669 10.167 -3.581 1.00 33.41 H new ATOM 0 HB3 TYR A 39 -0.981 9.699 -3.560 1.00 33.41 H new ATOM 0 HD1 TYR A 39 -0.017 11.089 -1.075 1.00 75.51 H new ATOM 0 HD2 TYR A 39 -3.633 8.933 -1.795 1.00 0.50 H new ATOM 0 HE1 TYR A 39 -0.149 10.505 1.300 1.00 12.20 H new ATOM 0 HE2 TYR A 39 -3.730 8.314 0.567 1.00 73.31 H new ATOM 0 HH TYR A 39 -2.799 8.421 2.529 1.00 3.14 H new ATOM 625 N THR A 40 -1.671 11.957 -5.930 1.00 54.14 N ATOM 626 CA THR A 40 -1.296 11.946 -7.364 1.00 3.34 C ATOM 627 C THR A 40 -0.451 13.184 -7.726 1.00 75.14 C ATOM 628 O THR A 40 0.566 13.063 -8.423 1.00 40.52 O ATOM 629 CB THR A 40 -2.555 11.874 -8.284 1.00 62.31 C ATOM 630 OG1 THR A 40 -3.345 10.735 -7.923 1.00 13.22 O ATOM 631 CG2 THR A 40 -2.186 11.767 -9.772 1.00 54.01 C ATOM 0 H THR A 40 -2.675 12.041 -5.768 1.00 54.14 H new ATOM 0 HA THR A 40 -0.697 11.051 -7.532 1.00 3.34 H new ATOM 0 HB THR A 40 -3.114 12.799 -8.141 1.00 62.31 H new ATOM 0 HG1 THR A 40 -3.823 10.920 -7.088 1.00 13.22 H new ATOM 0 HG21 THR A 40 -3.096 11.720 -10.370 1.00 54.01 H new ATOM 0 HG22 THR A 40 -1.603 12.640 -10.066 1.00 54.01 H new ATOM 0 HG23 THR A 40 -1.596 10.865 -9.937 1.00 54.01 H new ATOM 639 N GLU A 41 -0.867 14.363 -7.218 1.00 74.11 N ATOM 640 CA GLU A 41 -0.118 15.619 -7.393 1.00 12.32 C ATOM 641 C GLU A 41 1.220 15.545 -6.629 1.00 31.52 C ATOM 642 O GLU A 41 2.222 16.122 -7.053 1.00 43.14 O ATOM 643 CB GLU A 41 -0.959 16.837 -6.923 1.00 41.40 C ATOM 644 CG GLU A 41 -1.265 16.866 -5.418 1.00 12.01 C ATOM 645 CD GLU A 41 -2.064 18.097 -4.961 1.00 0.11 C ATOM 646 OE1 GLU A 41 -1.479 19.193 -4.873 1.00 41.03 O ATOM 647 OE2 GLU A 41 -3.278 17.981 -4.696 1.00 72.14 O ATOM 0 H GLU A 41 -1.726 14.468 -6.679 1.00 74.11 H new ATOM 0 HA GLU A 41 0.093 15.754 -8.454 1.00 12.32 H new ATOM 0 HB2 GLU A 41 -0.429 17.751 -7.189 1.00 41.40 H new ATOM 0 HB3 GLU A 41 -1.901 16.844 -7.471 1.00 41.40 H new ATOM 0 HG2 GLU A 41 -1.822 15.967 -5.155 1.00 12.01 H new ATOM 0 HG3 GLU A 41 -0.325 16.832 -4.867 1.00 12.01 H new ATOM 654 N ALA A 42 1.219 14.791 -5.507 1.00 70.44 N ATOM 655 CA ALA A 42 2.422 14.546 -4.704 1.00 43.23 C ATOM 656 C ALA A 42 3.411 13.624 -5.441 1.00 13.04 C ATOM 657 O ALA A 42 4.608 13.762 -5.259 1.00 72.11 O ATOM 658 CB ALA A 42 2.047 13.985 -3.322 1.00 31.32 C ATOM 0 H ALA A 42 0.382 14.339 -5.139 1.00 70.44 H new ATOM 0 HA ALA A 42 2.927 15.500 -4.551 1.00 43.23 H new ATOM 0 HB1 ALA A 42 2.953 13.810 -2.742 1.00 31.32 H new ATOM 0 HB2 ALA A 42 1.414 14.701 -2.798 1.00 31.32 H new ATOM 0 HB3 ALA A 42 1.508 13.046 -3.445 1.00 31.32 H new ATOM 664 N ILE A 43 2.894 12.710 -6.289 1.00 12.20 N ATOM 665 CA ILE A 43 3.723 11.833 -7.158 1.00 21.40 C ATOM 666 C ILE A 43 4.478 12.685 -8.202 1.00 1.11 C ATOM 667 O ILE A 43 5.625 12.378 -8.557 1.00 71.31 O ATOM 668 CB ILE A 43 2.830 10.686 -7.848 1.00 2.43 C ATOM 669 CG1 ILE A 43 2.880 9.354 -7.032 1.00 22.12 C ATOM 670 CG2 ILE A 43 3.198 10.398 -9.330 1.00 61.44 C ATOM 671 CD1 ILE A 43 2.356 9.421 -5.625 1.00 23.31 C ATOM 0 H ILE A 43 1.891 12.556 -6.394 1.00 12.20 H new ATOM 0 HA ILE A 43 4.463 11.324 -6.540 1.00 21.40 H new ATOM 0 HB ILE A 43 1.816 11.086 -7.845 1.00 2.43 H new ATOM 0 HG12 ILE A 43 2.312 8.598 -7.574 1.00 22.12 H new ATOM 0 HG13 ILE A 43 3.914 9.012 -6.997 1.00 22.12 H new ATOM 0 HG21 ILE A 43 2.550 9.613 -9.720 1.00 61.44 H new ATOM 0 HG22 ILE A 43 3.066 11.305 -9.921 1.00 61.44 H new ATOM 0 HG23 ILE A 43 4.237 10.074 -9.391 1.00 61.44 H new ATOM 0 HD11 ILE A 43 2.441 8.440 -5.158 1.00 23.31 H new ATOM 0 HD12 ILE A 43 2.937 10.146 -5.055 1.00 23.31 H new ATOM 0 HD13 ILE A 43 1.310 9.726 -5.641 1.00 23.31 H new ATOM 683 N LYS A 44 3.822 13.771 -8.668 1.00 14.13 N ATOM 684 CA LYS A 44 4.408 14.715 -9.650 1.00 33.14 C ATOM 685 C LYS A 44 5.594 15.464 -9.014 1.00 22.44 C ATOM 686 O LYS A 44 6.588 15.768 -9.680 1.00 60.43 O ATOM 687 CB LYS A 44 3.349 15.753 -10.137 1.00 35.23 C ATOM 688 CG LYS A 44 1.972 15.164 -10.513 1.00 4.10 C ATOM 689 CD LYS A 44 2.035 14.123 -11.650 1.00 43.40 C ATOM 690 CE LYS A 44 0.645 13.568 -12.004 1.00 12.31 C ATOM 691 NZ LYS A 44 0.712 12.553 -13.084 1.00 41.05 N ATOM 0 H LYS A 44 2.876 14.018 -8.377 1.00 14.13 H new ATOM 0 HA LYS A 44 4.749 14.136 -10.508 1.00 33.14 H new ATOM 0 HB2 LYS A 44 3.206 16.496 -9.353 1.00 35.23 H new ATOM 0 HB3 LYS A 44 3.750 16.277 -11.004 1.00 35.23 H new ATOM 0 HG2 LYS A 44 1.532 14.700 -9.631 1.00 4.10 H new ATOM 0 HG3 LYS A 44 1.308 15.976 -10.811 1.00 4.10 H new ATOM 0 HD2 LYS A 44 2.479 14.580 -12.535 1.00 43.40 H new ATOM 0 HD3 LYS A 44 2.688 13.302 -11.354 1.00 43.40 H new ATOM 0 HE2 LYS A 44 0.195 13.124 -11.116 1.00 12.31 H new ATOM 0 HE3 LYS A 44 -0.004 14.387 -12.315 1.00 12.31 H new ATOM 0 HZ1 LYS A 44 -0.245 12.204 -13.293 1.00 41.05 H new ATOM 0 HZ2 LYS A 44 1.118 12.983 -13.940 1.00 41.05 H new ATOM 0 HZ3 LYS A 44 1.310 11.759 -12.778 1.00 41.05 H new ATOM 705 N ARG A 45 5.451 15.750 -7.711 1.00 71.02 N ATOM 706 CA ARG A 45 6.426 16.514 -6.930 1.00 32.40 C ATOM 707 C ARG A 45 7.625 15.627 -6.526 1.00 40.02 C ATOM 708 O ARG A 45 8.778 16.008 -6.733 1.00 64.40 O ATOM 709 CB ARG A 45 5.721 17.108 -5.685 1.00 30.11 C ATOM 710 CG ARG A 45 4.523 18.034 -5.999 1.00 14.05 C ATOM 711 CD ARG A 45 4.928 19.304 -6.757 1.00 75.43 C ATOM 712 NE ARG A 45 3.753 20.095 -7.157 1.00 31.11 N ATOM 713 CZ ARG A 45 3.788 21.299 -7.753 1.00 73.41 C ATOM 714 NH1 ARG A 45 4.944 21.894 -8.025 1.00 24.32 N ATOM 715 NH2 ARG A 45 2.654 21.898 -8.070 1.00 4.52 N ATOM 0 H ARG A 45 4.642 15.451 -7.166 1.00 71.02 H new ATOM 0 HA ARG A 45 6.820 17.328 -7.538 1.00 32.40 H new ATOM 0 HB2 ARG A 45 5.374 16.288 -5.056 1.00 30.11 H new ATOM 0 HB3 ARG A 45 6.453 17.668 -5.103 1.00 30.11 H new ATOM 0 HG2 ARG A 45 3.791 17.483 -6.589 1.00 14.05 H new ATOM 0 HG3 ARG A 45 4.034 18.315 -5.066 1.00 14.05 H new ATOM 0 HD2 ARG A 45 5.579 19.911 -6.128 1.00 75.43 H new ATOM 0 HD3 ARG A 45 5.503 19.032 -7.642 1.00 75.43 H new ATOM 0 HE ARG A 45 2.834 19.695 -6.966 1.00 31.11 H new ATOM 0 HH11 ARG A 45 5.823 21.437 -7.781 1.00 24.32 H new ATOM 0 HH12 ARG A 45 4.953 22.808 -8.478 1.00 24.32 H new ATOM 0 HH21 ARG A 45 1.763 21.447 -7.862 1.00 4.52 H new ATOM 0 HH22 ARG A 45 2.669 22.812 -8.523 1.00 4.52 H new ATOM 729 N ASN A 46 7.341 14.439 -5.950 1.00 50.30 N ATOM 730 CA ASN A 46 8.376 13.440 -5.579 1.00 32.52 C ATOM 731 C ASN A 46 8.134 12.076 -6.265 1.00 72.45 C ATOM 732 O ASN A 46 7.493 11.182 -5.705 1.00 22.41 O ATOM 733 CB ASN A 46 8.567 13.288 -4.023 1.00 24.24 C ATOM 734 CG ASN A 46 7.299 13.195 -3.137 1.00 41.42 C ATOM 735 OD1 ASN A 46 7.297 13.704 -2.017 1.00 52.22 O ATOM 736 ND2 ASN A 46 6.262 12.497 -3.557 1.00 74.44 N ATOM 0 H ASN A 46 6.391 14.142 -5.728 1.00 50.30 H new ATOM 0 HA ASN A 46 9.319 13.835 -5.958 1.00 32.52 H new ATOM 0 HB2 ASN A 46 9.163 12.393 -3.846 1.00 24.24 H new ATOM 0 HB3 ASN A 46 9.155 14.137 -3.675 1.00 24.24 H new ATOM 0 HD21 ASN A 46 5.450 12.376 -2.952 1.00 74.44 H new ATOM 0 HD22 ASN A 46 6.272 12.078 -4.487 1.00 74.44 H new ATOM 743 N PRO A 47 8.648 11.887 -7.524 1.00 2.43 N ATOM 744 CA PRO A 47 8.669 10.555 -8.170 1.00 34.53 C ATOM 745 C PRO A 47 9.679 9.597 -7.497 1.00 2.24 C ATOM 746 O PRO A 47 9.659 8.391 -7.753 1.00 34.42 O ATOM 747 CB PRO A 47 9.062 10.875 -9.634 1.00 1.44 C ATOM 748 CG PRO A 47 9.851 12.150 -9.544 1.00 73.04 C ATOM 749 CD PRO A 47 9.207 12.943 -8.423 1.00 32.35 C ATOM 0 HA PRO A 47 7.714 10.035 -8.092 1.00 34.53 H new ATOM 0 HB2 PRO A 47 9.656 10.071 -10.070 1.00 1.44 H new ATOM 0 HB3 PRO A 47 8.181 10.998 -10.263 1.00 1.44 H new ATOM 0 HG2 PRO A 47 10.901 11.948 -9.330 1.00 73.04 H new ATOM 0 HG3 PRO A 47 9.817 12.700 -10.484 1.00 73.04 H new ATOM 0 HD2 PRO A 47 9.934 13.568 -7.904 1.00 32.35 H new ATOM 0 HD3 PRO A 47 8.427 13.606 -8.797 1.00 32.35 H new ATOM 757 N LYS A 48 10.547 10.159 -6.630 1.00 35.14 N ATOM 758 CA LYS A 48 11.572 9.404 -5.895 1.00 5.40 C ATOM 759 C LYS A 48 10.933 8.623 -4.731 1.00 15.15 C ATOM 760 O LYS A 48 11.392 7.529 -4.375 1.00 3.05 O ATOM 761 CB LYS A 48 12.676 10.355 -5.321 1.00 21.34 C ATOM 762 CG LYS A 48 13.368 11.311 -6.337 1.00 42.32 C ATOM 763 CD LYS A 48 12.582 12.628 -6.575 1.00 75.21 C ATOM 764 CE LYS A 48 13.369 13.665 -7.400 1.00 73.23 C ATOM 765 NZ LYS A 48 13.644 13.217 -8.794 1.00 64.13 N ATOM 0 H LYS A 48 10.553 11.158 -6.422 1.00 35.14 H new ATOM 0 HA LYS A 48 12.032 8.710 -6.598 1.00 5.40 H new ATOM 0 HB2 LYS A 48 12.228 10.961 -4.533 1.00 21.34 H new ATOM 0 HB3 LYS A 48 13.445 9.741 -4.852 1.00 21.34 H new ATOM 0 HG2 LYS A 48 14.367 11.553 -5.975 1.00 42.32 H new ATOM 0 HG3 LYS A 48 13.490 10.792 -7.288 1.00 42.32 H new ATOM 0 HD2 LYS A 48 11.648 12.398 -7.088 1.00 75.21 H new ATOM 0 HD3 LYS A 48 12.318 13.065 -5.612 1.00 75.21 H new ATOM 0 HE2 LYS A 48 12.808 14.599 -7.429 1.00 73.23 H new ATOM 0 HE3 LYS A 48 14.314 13.877 -6.900 1.00 73.23 H new ATOM 0 HZ1 LYS A 48 14.662 13.297 -8.990 1.00 64.13 H new ATOM 0 HZ2 LYS A 48 13.347 12.227 -8.905 1.00 64.13 H new ATOM 0 HZ3 LYS A 48 13.115 13.814 -9.461 1.00 64.13 H new ATOM 779 N ASP A 49 9.868 9.214 -4.146 1.00 65.42 N ATOM 780 CA ASP A 49 9.264 8.740 -2.890 1.00 4.02 C ATOM 781 C ASP A 49 8.320 7.551 -3.154 1.00 2.15 C ATOM 782 O ASP A 49 7.178 7.732 -3.589 1.00 71.14 O ATOM 783 CB ASP A 49 8.516 9.902 -2.191 1.00 43.11 C ATOM 784 CG ASP A 49 8.261 9.635 -0.707 1.00 62.23 C ATOM 785 OD1 ASP A 49 9.237 9.586 0.076 1.00 52.51 O ATOM 786 OD2 ASP A 49 7.099 9.519 -0.298 1.00 75.04 O ATOM 0 H ASP A 49 9.405 10.035 -4.536 1.00 65.42 H new ATOM 0 HA ASP A 49 10.056 8.392 -2.227 1.00 4.02 H new ATOM 0 HB2 ASP A 49 9.098 10.818 -2.296 1.00 43.11 H new ATOM 0 HB3 ASP A 49 7.564 10.070 -2.694 1.00 43.11 H new ATOM 791 N ALA A 50 8.832 6.343 -2.887 1.00 62.43 N ATOM 792 CA ALA A 50 8.194 5.069 -3.244 1.00 53.21 C ATOM 793 C ALA A 50 6.908 4.769 -2.446 1.00 1.25 C ATOM 794 O ALA A 50 5.926 4.285 -3.030 1.00 32.02 O ATOM 795 CB ALA A 50 9.208 3.937 -3.085 1.00 51.45 C ATOM 0 H ALA A 50 9.723 6.221 -2.405 1.00 62.43 H new ATOM 0 HA ALA A 50 7.876 5.151 -4.283 1.00 53.21 H new ATOM 0 HB1 ALA A 50 8.739 2.989 -3.349 1.00 51.45 H new ATOM 0 HB2 ALA A 50 10.059 4.116 -3.742 1.00 51.45 H new ATOM 0 HB3 ALA A 50 9.550 3.897 -2.051 1.00 51.45 H new ATOM 801 N LYS A 51 6.893 5.047 -1.117 1.00 22.42 N ATOM 802 CA LYS A 51 5.713 4.713 -0.274 1.00 11.02 C ATOM 803 C LYS A 51 4.494 5.586 -0.643 1.00 60.33 C ATOM 804 O LYS A 51 3.357 5.215 -0.372 1.00 41.34 O ATOM 805 CB LYS A 51 6.000 4.765 1.268 1.00 5.22 C ATOM 806 CG LYS A 51 5.797 6.132 1.989 1.00 62.44 C ATOM 807 CD LYS A 51 6.948 7.130 1.786 1.00 34.12 C ATOM 808 CE LYS A 51 8.267 6.673 2.420 1.00 32.12 C ATOM 809 NZ LYS A 51 9.336 7.694 2.270 1.00 64.02 N ATOM 0 H LYS A 51 7.663 5.490 -0.615 1.00 22.42 H new ATOM 0 HA LYS A 51 5.477 3.673 -0.498 1.00 11.02 H new ATOM 0 HB2 LYS A 51 5.360 4.029 1.755 1.00 5.22 H new ATOM 0 HB3 LYS A 51 7.030 4.448 1.430 1.00 5.22 H new ATOM 0 HG2 LYS A 51 4.872 6.584 1.632 1.00 62.44 H new ATOM 0 HG3 LYS A 51 5.672 5.952 3.057 1.00 62.44 H new ATOM 0 HD2 LYS A 51 7.101 7.285 0.718 1.00 34.12 H new ATOM 0 HD3 LYS A 51 6.664 8.093 2.210 1.00 34.12 H new ATOM 0 HE2 LYS A 51 8.109 6.466 3.478 1.00 32.12 H new ATOM 0 HE3 LYS A 51 8.588 5.740 1.957 1.00 32.12 H new ATOM 0 HZ1 LYS A 51 10.252 7.220 2.137 1.00 64.02 H new ATOM 0 HZ2 LYS A 51 9.132 8.291 1.444 1.00 64.02 H new ATOM 0 HZ3 LYS A 51 9.373 8.286 3.124 1.00 64.02 H new ATOM 823 N LEU A 52 4.757 6.739 -1.281 1.00 61.04 N ATOM 824 CA LEU A 52 3.715 7.683 -1.719 1.00 20.23 C ATOM 825 C LEU A 52 2.771 7.024 -2.766 1.00 43.33 C ATOM 826 O LEU A 52 1.587 7.372 -2.851 1.00 23.50 O ATOM 827 CB LEU A 52 4.395 8.995 -2.253 1.00 64.43 C ATOM 828 CG LEU A 52 3.831 10.344 -1.698 1.00 5.21 C ATOM 829 CD1 LEU A 52 2.391 10.606 -2.161 1.00 65.45 C ATOM 830 CD2 LEU A 52 3.930 10.388 -0.156 1.00 32.31 C ATOM 0 H LEU A 52 5.703 7.044 -1.509 1.00 61.04 H new ATOM 0 HA LEU A 52 3.084 7.954 -0.873 1.00 20.23 H new ATOM 0 HB2 LEU A 52 5.459 8.948 -2.021 1.00 64.43 H new ATOM 0 HB3 LEU A 52 4.306 9.008 -3.339 1.00 64.43 H new ATOM 0 HG LEU A 52 4.449 11.143 -2.109 1.00 5.21 H new ATOM 0 HD11 LEU A 52 2.043 11.554 -1.750 1.00 65.45 H new ATOM 0 HD12 LEU A 52 2.361 10.650 -3.250 1.00 65.45 H new ATOM 0 HD13 LEU A 52 1.745 9.801 -1.812 1.00 65.45 H new ATOM 0 HD21 LEU A 52 3.532 11.335 0.207 1.00 32.31 H new ATOM 0 HD22 LEU A 52 3.355 9.566 0.269 1.00 32.31 H new ATOM 0 HD23 LEU A 52 4.974 10.294 0.144 1.00 32.31 H new ATOM 842 N TYR A 53 3.312 6.052 -3.530 1.00 1.14 N ATOM 843 CA TYR A 53 2.537 5.247 -4.501 1.00 12.02 C ATOM 844 C TYR A 53 1.672 4.208 -3.769 1.00 25.04 C ATOM 845 O TYR A 53 0.486 4.059 -4.067 1.00 23.52 O ATOM 846 CB TYR A 53 3.484 4.524 -5.486 1.00 1.24 C ATOM 847 CG TYR A 53 4.361 5.471 -6.310 1.00 65.30 C ATOM 848 CD1 TYR A 53 5.548 5.994 -5.794 1.00 73.13 C ATOM 849 CD2 TYR A 53 3.999 5.848 -7.595 1.00 32.23 C ATOM 850 CE1 TYR A 53 6.335 6.847 -6.529 1.00 3.23 C ATOM 851 CE2 TYR A 53 4.791 6.699 -8.338 1.00 72.13 C ATOM 852 CZ TYR A 53 5.956 7.196 -7.799 1.00 61.43 C ATOM 853 OH TYR A 53 6.748 8.037 -8.531 1.00 53.41 O ATOM 0 H TYR A 53 4.300 5.802 -3.492 1.00 1.14 H new ATOM 0 HA TYR A 53 1.890 5.924 -5.059 1.00 12.02 H new ATOM 0 HB2 TYR A 53 4.126 3.845 -4.925 1.00 1.24 H new ATOM 0 HB3 TYR A 53 2.889 3.913 -6.164 1.00 1.24 H new ATOM 0 HD1 TYR A 53 5.854 5.722 -4.795 1.00 73.13 H new ATOM 0 HD2 TYR A 53 3.082 5.469 -8.021 1.00 32.23 H new ATOM 0 HE1 TYR A 53 7.248 7.241 -6.108 1.00 3.23 H new ATOM 0 HE2 TYR A 53 4.498 6.975 -9.340 1.00 72.13 H new ATOM 0 HH TYR A 53 7.675 7.966 -8.221 1.00 53.41 H new ATOM 863 N SER A 54 2.280 3.495 -2.797 1.00 11.03 N ATOM 864 CA SER A 54 1.580 2.460 -2.009 1.00 73.01 C ATOM 865 C SER A 54 0.485 3.077 -1.105 1.00 52.21 C ATOM 866 O SER A 54 -0.433 2.377 -0.664 1.00 42.44 O ATOM 867 CB SER A 54 2.592 1.640 -1.185 1.00 12.23 C ATOM 868 OG SER A 54 3.333 2.445 -0.284 1.00 22.23 O ATOM 0 H SER A 54 3.259 3.619 -2.539 1.00 11.03 H new ATOM 0 HA SER A 54 1.078 1.787 -2.704 1.00 73.01 H new ATOM 0 HB2 SER A 54 2.062 0.868 -0.627 1.00 12.23 H new ATOM 0 HB3 SER A 54 3.278 1.130 -1.861 1.00 12.23 H new ATOM 0 HG SER A 54 3.170 3.391 -0.481 1.00 22.23 H new ATOM 874 N ASN A 55 0.614 4.390 -0.830 1.00 44.22 N ATOM 875 CA ASN A 55 -0.415 5.183 -0.138 1.00 12.15 C ATOM 876 C ASN A 55 -1.658 5.374 -1.037 1.00 35.54 C ATOM 877 O ASN A 55 -2.791 5.385 -0.540 1.00 5.31 O ATOM 878 CB ASN A 55 0.169 6.556 0.298 1.00 32.20 C ATOM 879 CG ASN A 55 1.067 6.492 1.539 1.00 70.13 C ATOM 880 OD1 ASN A 55 1.687 5.469 1.837 1.00 40.01 O ATOM 881 ND2 ASN A 55 1.146 7.593 2.269 1.00 30.41 N ATOM 0 H ASN A 55 1.441 4.931 -1.084 1.00 44.22 H new ATOM 0 HA ASN A 55 -0.728 4.641 0.754 1.00 12.15 H new ATOM 0 HB2 ASN A 55 0.742 6.974 -0.530 1.00 32.20 H new ATOM 0 HB3 ASN A 55 -0.655 7.243 0.494 1.00 32.20 H new ATOM 0 HD21 ASN A 55 1.732 7.610 3.104 1.00 30.41 H new ATOM 0 HD22 ASN A 55 0.621 8.424 1.997 1.00 30.41 H new ATOM 888 N ARG A 56 -1.434 5.515 -2.365 1.00 60.20 N ATOM 889 CA ARG A 56 -2.530 5.570 -3.357 1.00 35.14 C ATOM 890 C ARG A 56 -3.205 4.201 -3.457 1.00 32.13 C ATOM 891 O ARG A 56 -4.421 4.126 -3.567 1.00 14.25 O ATOM 892 CB ARG A 56 -2.030 5.996 -4.760 1.00 71.15 C ATOM 893 CG ARG A 56 -1.305 7.343 -4.788 1.00 64.44 C ATOM 894 CD ARG A 56 -1.009 7.834 -6.211 1.00 23.14 C ATOM 895 NE ARG A 56 -0.217 6.864 -6.981 1.00 61.42 N ATOM 896 CZ ARG A 56 0.246 7.058 -8.221 1.00 44.11 C ATOM 897 NH1 ARG A 56 -0.001 8.186 -8.885 1.00 62.31 N ATOM 898 NH2 ARG A 56 0.966 6.122 -8.785 1.00 21.45 N ATOM 0 H ARG A 56 -0.502 5.593 -2.773 1.00 60.20 H new ATOM 0 HA ARG A 56 -3.241 6.321 -3.014 1.00 35.14 H new ATOM 0 HB2 ARG A 56 -1.359 5.227 -5.142 1.00 71.15 H new ATOM 0 HB3 ARG A 56 -2.882 6.041 -5.438 1.00 71.15 H new ATOM 0 HG2 ARG A 56 -1.912 8.087 -4.272 1.00 64.44 H new ATOM 0 HG3 ARG A 56 -0.369 7.257 -4.237 1.00 64.44 H new ATOM 0 HD2 ARG A 56 -1.948 8.026 -6.730 1.00 23.14 H new ATOM 0 HD3 ARG A 56 -0.472 8.781 -6.162 1.00 23.14 H new ATOM 0 HE ARG A 56 -0.004 5.972 -6.534 1.00 61.42 H new ATOM 0 HH11 ARG A 56 -0.554 8.924 -8.449 1.00 62.31 H new ATOM 0 HH12 ARG A 56 0.362 8.312 -9.830 1.00 62.31 H new ATOM 0 HH21 ARG A 56 1.167 5.259 -8.280 1.00 21.45 H new ATOM 0 HH22 ARG A 56 1.326 6.255 -9.730 1.00 21.45 H new ATOM 912 N ALA A 57 -2.387 3.128 -3.423 1.00 2.25 N ATOM 913 CA ALA A 57 -2.873 1.734 -3.406 1.00 4.40 C ATOM 914 C ALA A 57 -3.745 1.473 -2.163 1.00 61.34 C ATOM 915 O ALA A 57 -4.763 0.771 -2.238 1.00 42.22 O ATOM 916 CB ALA A 57 -1.685 0.760 -3.477 1.00 51.40 C ATOM 0 H ALA A 57 -1.370 3.205 -3.407 1.00 2.25 H new ATOM 0 HA ALA A 57 -3.500 1.569 -4.282 1.00 4.40 H new ATOM 0 HB1 ALA A 57 -2.054 -0.266 -3.464 1.00 51.40 H new ATOM 0 HB2 ALA A 57 -1.127 0.933 -4.397 1.00 51.40 H new ATOM 0 HB3 ALA A 57 -1.031 0.921 -2.620 1.00 51.40 H new ATOM 922 N ALA A 58 -3.348 2.089 -1.034 1.00 60.12 N ATOM 923 CA ALA A 58 -4.097 2.040 0.232 1.00 41.23 C ATOM 924 C ALA A 58 -5.451 2.772 0.120 1.00 24.22 C ATOM 925 O ALA A 58 -6.418 2.396 0.788 1.00 12.51 O ATOM 926 CB ALA A 58 -3.246 2.629 1.367 1.00 62.45 C ATOM 0 H ALA A 58 -2.491 2.639 -0.976 1.00 60.12 H new ATOM 0 HA ALA A 58 -4.314 0.996 0.459 1.00 41.23 H new ATOM 0 HB1 ALA A 58 -3.807 2.589 2.301 1.00 62.45 H new ATOM 0 HB2 ALA A 58 -2.328 2.051 1.471 1.00 62.45 H new ATOM 0 HB3 ALA A 58 -2.999 3.665 1.136 1.00 62.45 H new ATOM 932 N CYS A 59 -5.503 3.823 -0.721 1.00 73.40 N ATOM 933 CA CYS A 59 -6.753 4.528 -1.029 1.00 72.13 C ATOM 934 C CYS A 59 -7.643 3.667 -1.953 1.00 35.53 C ATOM 935 O CYS A 59 -8.826 3.479 -1.669 1.00 40.31 O ATOM 936 CB CYS A 59 -6.458 5.894 -1.678 1.00 11.34 C ATOM 937 SG CYS A 59 -5.504 7.012 -0.626 1.00 21.12 S ATOM 0 H CYS A 59 -4.686 4.201 -1.200 1.00 73.40 H new ATOM 0 HA CYS A 59 -7.291 4.702 -0.097 1.00 72.13 H new ATOM 0 HB2 CYS A 59 -5.914 5.733 -2.609 1.00 11.34 H new ATOM 0 HB3 CYS A 59 -7.402 6.373 -1.939 1.00 11.34 H new ATOM 0 HG CYS A 59 -4.311 6.527 -0.447 1.00 21.12 H new ATOM 943 N TYR A 60 -7.028 3.098 -3.020 1.00 10.42 N ATOM 944 CA TYR A 60 -7.731 2.343 -4.081 1.00 31.15 C ATOM 945 C TYR A 60 -8.538 1.170 -3.508 1.00 42.43 C ATOM 946 O TYR A 60 -9.620 0.880 -3.991 1.00 71.32 O ATOM 947 CB TYR A 60 -6.739 1.812 -5.149 1.00 52.52 C ATOM 948 CG TYR A 60 -6.065 2.874 -6.025 1.00 71.53 C ATOM 949 CD1 TYR A 60 -6.770 3.984 -6.496 1.00 51.12 C ATOM 950 CD2 TYR A 60 -4.726 2.744 -6.415 1.00 63.34 C ATOM 951 CE1 TYR A 60 -6.161 4.915 -7.311 1.00 64.34 C ATOM 952 CE2 TYR A 60 -4.120 3.674 -7.225 1.00 34.03 C ATOM 953 CZ TYR A 60 -4.837 4.755 -7.672 1.00 51.24 C ATOM 954 OH TYR A 60 -4.231 5.683 -8.483 1.00 45.22 O ATOM 0 H TYR A 60 -6.020 3.153 -3.167 1.00 10.42 H new ATOM 0 HA TYR A 60 -8.421 3.042 -4.552 1.00 31.15 H new ATOM 0 HB2 TYR A 60 -5.962 1.240 -4.642 1.00 52.52 H new ATOM 0 HB3 TYR A 60 -7.272 1.118 -5.799 1.00 52.52 H new ATOM 0 HD1 TYR A 60 -7.805 4.115 -6.218 1.00 51.12 H new ATOM 0 HD2 TYR A 60 -4.157 1.893 -6.071 1.00 63.34 H new ATOM 0 HE1 TYR A 60 -6.719 5.769 -7.667 1.00 64.34 H new ATOM 0 HE2 TYR A 60 -3.085 3.555 -7.508 1.00 34.03 H new ATOM 0 HH TYR A 60 -3.300 5.422 -8.640 1.00 45.22 H new ATOM 964 N THR A 61 -7.998 0.512 -2.471 1.00 72.25 N ATOM 965 CA THR A 61 -8.706 -0.564 -1.753 1.00 3.52 C ATOM 966 C THR A 61 -10.045 -0.041 -1.166 1.00 24.14 C ATOM 967 O THR A 61 -11.098 -0.673 -1.325 1.00 11.10 O ATOM 968 CB THR A 61 -7.819 -1.164 -0.611 1.00 25.11 C ATOM 969 OG1 THR A 61 -7.447 -0.129 0.312 1.00 43.30 O ATOM 970 CG2 THR A 61 -6.547 -1.840 -1.159 1.00 71.35 C ATOM 0 H THR A 61 -7.065 0.707 -2.107 1.00 72.25 H new ATOM 0 HA THR A 61 -8.919 -1.355 -2.472 1.00 3.52 H new ATOM 0 HB THR A 61 -8.412 -1.926 -0.105 1.00 25.11 H new ATOM 0 HG1 THR A 61 -6.960 0.575 -0.165 1.00 43.30 H new ATOM 0 HG21 THR A 61 -5.963 -2.242 -0.331 1.00 71.35 H new ATOM 0 HG22 THR A 61 -6.827 -2.650 -1.832 1.00 71.35 H new ATOM 0 HG23 THR A 61 -5.950 -1.107 -1.702 1.00 71.35 H new ATOM 978 N LYS A 62 -9.992 1.166 -0.556 1.00 4.21 N ATOM 979 CA LYS A 62 -11.157 1.813 0.084 1.00 33.25 C ATOM 980 C LYS A 62 -12.166 2.289 -0.973 1.00 63.11 C ATOM 981 O LYS A 62 -13.370 2.368 -0.713 1.00 71.34 O ATOM 982 CB LYS A 62 -10.673 3.015 0.936 1.00 44.25 C ATOM 983 CG LYS A 62 -9.563 2.716 1.978 1.00 20.41 C ATOM 984 CD LYS A 62 -10.044 1.987 3.259 1.00 20.54 C ATOM 985 CE LYS A 62 -10.260 0.473 3.091 1.00 75.11 C ATOM 986 NZ LYS A 62 -9.024 -0.223 2.648 1.00 11.41 N ATOM 0 H LYS A 62 -9.137 1.719 -0.495 1.00 4.21 H new ATOM 0 HA LYS A 62 -11.655 1.086 0.726 1.00 33.25 H new ATOM 0 HB2 LYS A 62 -10.308 3.789 0.260 1.00 44.25 H new ATOM 0 HB3 LYS A 62 -11.533 3.430 1.462 1.00 44.25 H new ATOM 0 HG2 LYS A 62 -8.792 2.110 1.501 1.00 20.41 H new ATOM 0 HG3 LYS A 62 -9.095 3.657 2.268 1.00 20.41 H new ATOM 0 HD2 LYS A 62 -9.313 2.151 4.051 1.00 20.54 H new ATOM 0 HD3 LYS A 62 -10.979 2.440 3.590 1.00 20.54 H new ATOM 0 HE2 LYS A 62 -10.595 0.048 4.037 1.00 75.11 H new ATOM 0 HE3 LYS A 62 -11.054 0.299 2.364 1.00 75.11 H new ATOM 0 HZ1 LYS A 62 -9.152 -1.251 2.742 1.00 11.41 H new ATOM 0 HZ2 LYS A 62 -8.831 0.012 1.654 1.00 11.41 H new ATOM 0 HZ3 LYS A 62 -8.224 0.082 3.238 1.00 11.41 H new ATOM 1000 N LEU A 63 -11.641 2.609 -2.158 1.00 30.22 N ATOM 1001 CA LEU A 63 -12.436 3.024 -3.320 1.00 42.12 C ATOM 1002 C LEU A 63 -12.908 1.793 -4.129 1.00 61.32 C ATOM 1003 O LEU A 63 -13.575 1.952 -5.155 1.00 31.41 O ATOM 1004 CB LEU A 63 -11.578 3.982 -4.194 1.00 62.43 C ATOM 1005 CG LEU A 63 -10.976 5.223 -3.453 1.00 53.35 C ATOM 1006 CD1 LEU A 63 -10.078 6.066 -4.380 1.00 42.12 C ATOM 1007 CD2 LEU A 63 -12.082 6.079 -2.807 1.00 43.31 C ATOM 0 H LEU A 63 -10.638 2.587 -2.342 1.00 30.22 H new ATOM 0 HA LEU A 63 -13.331 3.549 -2.987 1.00 42.12 H new ATOM 0 HB2 LEU A 63 -10.759 3.410 -4.630 1.00 62.43 H new ATOM 0 HB3 LEU A 63 -12.193 4.339 -5.020 1.00 62.43 H new ATOM 0 HG LEU A 63 -10.341 4.844 -2.652 1.00 53.35 H new ATOM 0 HD11 LEU A 63 -9.681 6.917 -3.827 1.00 42.12 H new ATOM 0 HD12 LEU A 63 -9.253 5.453 -4.744 1.00 42.12 H new ATOM 0 HD13 LEU A 63 -10.664 6.425 -5.226 1.00 42.12 H new ATOM 0 HD21 LEU A 63 -11.632 6.933 -2.300 1.00 43.31 H new ATOM 0 HD22 LEU A 63 -12.765 6.434 -3.579 1.00 43.31 H new ATOM 0 HD23 LEU A 63 -12.633 5.477 -2.084 1.00 43.31 H new ATOM 1019 N LEU A 64 -12.538 0.562 -3.658 1.00 2.31 N ATOM 1020 CA LEU A 64 -12.904 -0.733 -4.294 1.00 63.14 C ATOM 1021 C LEU A 64 -12.236 -0.911 -5.683 1.00 14.23 C ATOM 1022 O LEU A 64 -12.594 -1.813 -6.443 1.00 14.15 O ATOM 1023 CB LEU A 64 -14.462 -0.942 -4.353 1.00 74.33 C ATOM 1024 CG LEU A 64 -15.194 -1.273 -2.999 1.00 63.11 C ATOM 1025 CD1 LEU A 64 -14.617 -2.535 -2.336 1.00 62.04 C ATOM 1026 CD2 LEU A 64 -15.192 -0.081 -2.015 1.00 21.50 C ATOM 0 H LEU A 64 -11.972 0.446 -2.818 1.00 2.31 H new ATOM 0 HA LEU A 64 -12.507 -1.521 -3.654 1.00 63.14 H new ATOM 0 HB2 LEU A 64 -14.909 -0.038 -4.767 1.00 74.33 H new ATOM 0 HB3 LEU A 64 -14.668 -1.750 -5.055 1.00 74.33 H new ATOM 0 HG LEU A 64 -16.234 -1.472 -3.256 1.00 63.11 H new ATOM 0 HD11 LEU A 64 -15.147 -2.731 -1.404 1.00 62.04 H new ATOM 0 HD12 LEU A 64 -14.736 -3.385 -3.007 1.00 62.04 H new ATOM 0 HD13 LEU A 64 -13.558 -2.384 -2.126 1.00 62.04 H new ATOM 0 HD21 LEU A 64 -15.710 -0.365 -1.099 1.00 21.50 H new ATOM 0 HD22 LEU A 64 -14.164 0.195 -1.780 1.00 21.50 H new ATOM 0 HD23 LEU A 64 -15.701 0.768 -2.471 1.00 21.50 H new ATOM 1038 N GLU A 65 -11.233 -0.067 -5.970 1.00 55.42 N ATOM 1039 CA GLU A 65 -10.403 -0.110 -7.188 1.00 43.02 C ATOM 1040 C GLU A 65 -9.105 -0.910 -6.922 1.00 2.21 C ATOM 1041 O GLU A 65 -8.001 -0.464 -7.268 1.00 32.23 O ATOM 1042 CB GLU A 65 -10.065 1.342 -7.629 1.00 54.24 C ATOM 1043 CG GLU A 65 -11.289 2.253 -7.805 1.00 53.40 C ATOM 1044 CD GLU A 65 -10.935 3.668 -8.292 1.00 63.00 C ATOM 1045 OE1 GLU A 65 -10.565 4.520 -7.460 1.00 70.44 O ATOM 1046 OE2 GLU A 65 -11.008 3.925 -9.514 1.00 53.03 O ATOM 0 H GLU A 65 -10.967 0.690 -5.341 1.00 55.42 H new ATOM 0 HA GLU A 65 -10.954 -0.608 -7.986 1.00 43.02 H new ATOM 0 HB2 GLU A 65 -9.399 1.787 -6.890 1.00 54.24 H new ATOM 0 HB3 GLU A 65 -9.517 1.305 -8.570 1.00 54.24 H new ATOM 0 HG2 GLU A 65 -11.975 1.793 -8.517 1.00 53.40 H new ATOM 0 HG3 GLU A 65 -11.817 2.326 -6.854 1.00 53.40 H new ATOM 1053 N PHE A 66 -9.259 -2.113 -6.330 1.00 4.45 N ATOM 1054 CA PHE A 66 -8.139 -3.041 -6.045 1.00 24.44 C ATOM 1055 C PHE A 66 -7.328 -3.358 -7.319 1.00 35.12 C ATOM 1056 O PHE A 66 -6.154 -3.680 -7.225 1.00 44.21 O ATOM 1057 CB PHE A 66 -8.653 -4.367 -5.439 1.00 64.55 C ATOM 1058 CG PHE A 66 -9.287 -4.271 -4.054 1.00 71.24 C ATOM 1059 CD1 PHE A 66 -10.604 -3.843 -3.890 1.00 14.32 C ATOM 1060 CD2 PHE A 66 -8.572 -4.644 -2.916 1.00 51.42 C ATOM 1061 CE1 PHE A 66 -11.177 -3.784 -2.636 1.00 61.11 C ATOM 1062 CE2 PHE A 66 -9.150 -4.589 -1.666 1.00 34.13 C ATOM 1063 CZ PHE A 66 -10.451 -4.161 -1.526 1.00 60.32 C ATOM 0 H PHE A 66 -10.167 -2.472 -6.034 1.00 4.45 H new ATOM 0 HA PHE A 66 -7.492 -2.539 -5.326 1.00 24.44 H new ATOM 0 HB2 PHE A 66 -9.386 -4.795 -6.123 1.00 64.55 H new ATOM 0 HB3 PHE A 66 -7.819 -5.066 -5.387 1.00 64.55 H new ATOM 0 HD1 PHE A 66 -11.183 -3.554 -4.755 1.00 14.32 H new ATOM 0 HD2 PHE A 66 -7.551 -4.981 -3.016 1.00 51.42 H new ATOM 0 HE1 PHE A 66 -12.195 -3.442 -2.524 1.00 61.11 H new ATOM 0 HE2 PHE A 66 -8.582 -4.882 -0.796 1.00 34.13 H new ATOM 0 HZ PHE A 66 -10.903 -4.121 -0.546 1.00 60.32 H new ATOM 1073 N GLN A 67 -7.982 -3.253 -8.501 1.00 1.13 N ATOM 1074 CA GLN A 67 -7.327 -3.399 -9.818 1.00 52.44 C ATOM 1075 C GLN A 67 -6.148 -2.419 -9.940 1.00 63.22 C ATOM 1076 O GLN A 67 -5.047 -2.797 -10.360 1.00 63.40 O ATOM 1077 CB GLN A 67 -8.351 -3.139 -10.963 1.00 20.51 C ATOM 1078 CG GLN A 67 -9.601 -4.044 -10.950 1.00 1.52 C ATOM 1079 CD GLN A 67 -9.269 -5.537 -11.003 1.00 14.12 C ATOM 1080 OE1 GLN A 67 -9.157 -6.124 -12.079 1.00 5.04 O ATOM 1081 NE2 GLN A 67 -9.111 -6.164 -9.846 1.00 13.11 N ATOM 0 H GLN A 67 -8.982 -3.064 -8.565 1.00 1.13 H new ATOM 0 HA GLN A 67 -6.950 -4.418 -9.905 1.00 52.44 H new ATOM 0 HB2 GLN A 67 -8.675 -2.100 -10.909 1.00 20.51 H new ATOM 0 HB3 GLN A 67 -7.842 -3.265 -11.919 1.00 20.51 H new ATOM 0 HG2 GLN A 67 -10.180 -3.839 -10.049 1.00 1.52 H new ATOM 0 HG3 GLN A 67 -10.234 -3.789 -11.800 1.00 1.52 H new ATOM 0 HE21 GLN A 67 -9.210 -5.651 -8.970 1.00 13.11 H new ATOM 0 HE22 GLN A 67 -8.890 -7.160 -9.832 1.00 13.11 H new ATOM 1090 N LEU A 68 -6.395 -1.165 -9.520 1.00 42.52 N ATOM 1091 CA LEU A 68 -5.388 -0.105 -9.557 1.00 74.22 C ATOM 1092 C LEU A 68 -4.370 -0.305 -8.418 1.00 62.40 C ATOM 1093 O LEU A 68 -3.189 -0.041 -8.599 1.00 44.02 O ATOM 1094 CB LEU A 68 -6.046 1.297 -9.455 1.00 23.11 C ATOM 1095 CG LEU A 68 -7.172 1.626 -10.487 1.00 12.24 C ATOM 1096 CD1 LEU A 68 -7.574 3.114 -10.407 1.00 11.14 C ATOM 1097 CD2 LEU A 68 -6.777 1.216 -11.921 1.00 24.35 C ATOM 0 H LEU A 68 -7.296 -0.865 -9.148 1.00 42.52 H new ATOM 0 HA LEU A 68 -4.868 -0.161 -10.513 1.00 74.22 H new ATOM 0 HB2 LEU A 68 -6.462 1.404 -8.453 1.00 23.11 H new ATOM 0 HB3 LEU A 68 -5.262 2.048 -9.557 1.00 23.11 H new ATOM 0 HG LEU A 68 -8.046 1.031 -10.222 1.00 12.24 H new ATOM 0 HD11 LEU A 68 -8.359 3.318 -11.135 1.00 11.14 H new ATOM 0 HD12 LEU A 68 -7.940 3.339 -9.405 1.00 11.14 H new ATOM 0 HD13 LEU A 68 -6.707 3.737 -10.624 1.00 11.14 H new ATOM 0 HD21 LEU A 68 -7.588 1.462 -12.606 1.00 24.35 H new ATOM 0 HD22 LEU A 68 -5.876 1.752 -12.218 1.00 24.35 H new ATOM 0 HD23 LEU A 68 -6.588 0.143 -11.954 1.00 24.35 H new ATOM 1109 N ALA A 69 -4.858 -0.795 -7.257 1.00 4.11 N ATOM 1110 CA ALA A 69 -4.023 -1.045 -6.059 1.00 41.03 C ATOM 1111 C ALA A 69 -2.952 -2.120 -6.320 1.00 52.33 C ATOM 1112 O ALA A 69 -1.834 -2.028 -5.803 1.00 33.43 O ATOM 1113 CB ALA A 69 -4.906 -1.449 -4.866 1.00 12.05 C ATOM 0 H ALA A 69 -5.842 -1.029 -7.123 1.00 4.11 H new ATOM 0 HA ALA A 69 -3.505 -0.116 -5.821 1.00 41.03 H new ATOM 0 HB1 ALA A 69 -4.278 -1.629 -3.993 1.00 12.05 H new ATOM 0 HB2 ALA A 69 -5.611 -0.647 -4.647 1.00 12.05 H new ATOM 0 HB3 ALA A 69 -5.456 -2.358 -5.111 1.00 12.05 H new ATOM 1119 N LEU A 70 -3.317 -3.140 -7.124 1.00 53.24 N ATOM 1120 CA LEU A 70 -2.403 -4.216 -7.515 1.00 63.54 C ATOM 1121 C LEU A 70 -1.308 -3.667 -8.437 1.00 51.12 C ATOM 1122 O LEU A 70 -0.133 -3.704 -8.080 1.00 11.41 O ATOM 1123 CB LEU A 70 -3.166 -5.389 -8.208 1.00 14.44 C ATOM 1124 CG LEU A 70 -4.193 -6.169 -7.327 1.00 1.23 C ATOM 1125 CD1 LEU A 70 -4.956 -7.226 -8.154 1.00 31.42 C ATOM 1126 CD2 LEU A 70 -3.514 -6.816 -6.100 1.00 30.13 C ATOM 0 H LEU A 70 -4.254 -3.234 -7.516 1.00 53.24 H new ATOM 0 HA LEU A 70 -1.940 -4.612 -6.611 1.00 63.54 H new ATOM 0 HB2 LEU A 70 -3.694 -4.989 -9.074 1.00 14.44 H new ATOM 0 HB3 LEU A 70 -2.430 -6.100 -8.584 1.00 14.44 H new ATOM 0 HG LEU A 70 -4.918 -5.443 -6.960 1.00 1.23 H new ATOM 0 HD11 LEU A 70 -5.663 -7.751 -7.511 1.00 31.42 H new ATOM 0 HD12 LEU A 70 -5.497 -6.734 -8.962 1.00 31.42 H new ATOM 0 HD13 LEU A 70 -4.248 -7.940 -8.574 1.00 31.42 H new ATOM 0 HD21 LEU A 70 -4.260 -7.350 -5.511 1.00 30.13 H new ATOM 0 HD22 LEU A 70 -2.748 -7.515 -6.435 1.00 30.13 H new ATOM 0 HD23 LEU A 70 -3.055 -6.040 -5.487 1.00 30.13 H new ATOM 1138 N LYS A 71 -1.717 -3.108 -9.592 1.00 41.04 N ATOM 1139 CA LYS A 71 -0.779 -2.690 -10.656 1.00 75.53 C ATOM 1140 C LYS A 71 0.119 -1.499 -10.231 1.00 74.01 C ATOM 1141 O LYS A 71 1.267 -1.422 -10.664 1.00 32.15 O ATOM 1142 CB LYS A 71 -1.536 -2.356 -11.966 1.00 63.44 C ATOM 1143 CG LYS A 71 -2.538 -1.184 -11.859 1.00 63.53 C ATOM 1144 CD LYS A 71 -3.218 -0.839 -13.205 1.00 24.42 C ATOM 1145 CE LYS A 71 -2.223 -0.397 -14.293 1.00 23.20 C ATOM 1146 NZ LYS A 71 -2.909 -0.121 -15.585 1.00 62.23 N ATOM 0 H LYS A 71 -2.697 -2.934 -9.814 1.00 41.04 H new ATOM 0 HA LYS A 71 -0.120 -3.539 -10.835 1.00 75.53 H new ATOM 0 HB2 LYS A 71 -0.806 -2.121 -12.740 1.00 63.44 H new ATOM 0 HB3 LYS A 71 -2.074 -3.245 -12.294 1.00 63.44 H new ATOM 0 HG2 LYS A 71 -3.305 -1.436 -11.126 1.00 63.53 H new ATOM 0 HG3 LYS A 71 -2.017 -0.302 -11.486 1.00 63.53 H new ATOM 0 HD2 LYS A 71 -3.770 -1.710 -13.559 1.00 24.42 H new ATOM 0 HD3 LYS A 71 -3.946 -0.044 -13.043 1.00 24.42 H new ATOM 0 HE2 LYS A 71 -1.695 0.498 -13.962 1.00 23.20 H new ATOM 0 HE3 LYS A 71 -1.473 -1.174 -14.438 1.00 23.20 H new ATOM 0 HZ1 LYS A 71 -2.208 0.174 -16.294 1.00 62.23 H new ATOM 0 HZ2 LYS A 71 -3.392 -0.982 -15.913 1.00 62.23 H new ATOM 0 HZ3 LYS A 71 -3.607 0.638 -15.452 1.00 62.23 H new ATOM 1160 N ASP A 72 -0.409 -0.587 -9.383 1.00 63.34 N ATOM 1161 CA ASP A 72 0.362 0.571 -8.857 1.00 65.24 C ATOM 1162 C ASP A 72 1.480 0.086 -7.920 1.00 12.21 C ATOM 1163 O ASP A 72 2.562 0.668 -7.883 1.00 25.43 O ATOM 1164 CB ASP A 72 -0.568 1.596 -8.126 1.00 74.14 C ATOM 1165 CG ASP A 72 0.108 2.940 -7.739 1.00 60.51 C ATOM 1166 OD1 ASP A 72 1.132 3.318 -8.359 1.00 12.42 O ATOM 1167 OD2 ASP A 72 -0.421 3.656 -6.854 1.00 41.11 O ATOM 0 H ASP A 72 -1.370 -0.628 -9.045 1.00 63.34 H new ATOM 0 HA ASP A 72 0.814 1.086 -9.705 1.00 65.24 H new ATOM 0 HB2 ASP A 72 -1.423 1.809 -8.768 1.00 74.14 H new ATOM 0 HB3 ASP A 72 -0.957 1.129 -7.221 1.00 74.14 H new ATOM 1172 N CYS A 73 1.205 -1.002 -7.187 1.00 14.10 N ATOM 1173 CA CYS A 73 2.188 -1.651 -6.305 1.00 32.42 C ATOM 1174 C CYS A 73 3.143 -2.558 -7.116 1.00 53.40 C ATOM 1175 O CYS A 73 4.307 -2.735 -6.736 1.00 75.42 O ATOM 1176 CB CYS A 73 1.450 -2.447 -5.213 1.00 12.52 C ATOM 1177 SG CYS A 73 2.529 -3.292 -4.036 1.00 60.15 S ATOM 0 H CYS A 73 0.293 -1.459 -7.188 1.00 14.10 H new ATOM 0 HA CYS A 73 2.800 -0.886 -5.826 1.00 32.42 H new ATOM 0 HB2 CYS A 73 0.798 -1.767 -4.664 1.00 12.52 H new ATOM 0 HB3 CYS A 73 0.808 -3.186 -5.692 1.00 12.52 H new ATOM 0 HG CYS A 73 3.623 -2.607 -3.881 1.00 60.15 H new ATOM 1183 N GLU A 74 2.646 -3.111 -8.248 1.00 52.54 N ATOM 1184 CA GLU A 74 3.456 -3.942 -9.167 1.00 63.23 C ATOM 1185 C GLU A 74 4.497 -3.091 -9.918 1.00 33.42 C ATOM 1186 O GLU A 74 5.537 -3.610 -10.323 1.00 24.30 O ATOM 1187 CB GLU A 74 2.564 -4.696 -10.194 1.00 73.34 C ATOM 1188 CG GLU A 74 1.708 -5.849 -9.619 1.00 4.34 C ATOM 1189 CD GLU A 74 2.543 -7.033 -9.090 1.00 52.51 C ATOM 1190 OE1 GLU A 74 3.220 -7.702 -9.896 1.00 43.55 O ATOM 1191 OE2 GLU A 74 2.520 -7.313 -7.873 1.00 31.22 O ATOM 0 H GLU A 74 1.678 -2.994 -8.547 1.00 52.54 H new ATOM 0 HA GLU A 74 3.975 -4.677 -8.552 1.00 63.23 H new ATOM 0 HB2 GLU A 74 1.898 -3.975 -10.668 1.00 73.34 H new ATOM 0 HB3 GLU A 74 3.205 -5.100 -10.977 1.00 73.34 H new ATOM 0 HG2 GLU A 74 1.088 -5.462 -8.810 1.00 4.34 H new ATOM 0 HG3 GLU A 74 1.032 -6.210 -10.394 1.00 4.34 H new ATOM 1198 N GLU A 75 4.187 -1.804 -10.164 1.00 52.25 N ATOM 1199 CA GLU A 75 5.145 -0.863 -10.774 1.00 51.32 C ATOM 1200 C GLU A 75 6.006 -0.167 -9.691 1.00 64.24 C ATOM 1201 O GLU A 75 7.182 0.107 -9.929 1.00 73.03 O ATOM 1202 CB GLU A 75 4.415 0.150 -11.696 1.00 50.13 C ATOM 1203 CG GLU A 75 3.380 1.052 -11.006 1.00 51.10 C ATOM 1204 CD GLU A 75 2.530 1.863 -11.998 1.00 14.33 C ATOM 1205 OE1 GLU A 75 3.047 2.853 -12.558 1.00 23.34 O ATOM 1206 OE2 GLU A 75 1.357 1.505 -12.248 1.00 40.23 O ATOM 0 H GLU A 75 3.279 -1.392 -9.949 1.00 52.25 H new ATOM 0 HA GLU A 75 5.831 -1.428 -11.405 1.00 51.32 H new ATOM 0 HB2 GLU A 75 5.163 0.784 -12.172 1.00 50.13 H new ATOM 0 HB3 GLU A 75 3.915 -0.404 -12.490 1.00 50.13 H new ATOM 0 HG2 GLU A 75 2.723 0.437 -10.392 1.00 51.10 H new ATOM 0 HG3 GLU A 75 3.895 1.737 -10.333 1.00 51.10 H new ATOM 1213 N CYS A 76 5.429 0.082 -8.487 1.00 54.23 N ATOM 1214 CA CYS A 76 6.157 0.716 -7.348 1.00 40.02 C ATOM 1215 C CYS A 76 7.372 -0.131 -6.895 1.00 41.12 C ATOM 1216 O CYS A 76 8.339 0.405 -6.340 1.00 35.41 O ATOM 1217 CB CYS A 76 5.205 0.945 -6.153 1.00 74.41 C ATOM 1218 SG CYS A 76 5.961 1.786 -4.740 1.00 72.34 S ATOM 0 H CYS A 76 4.458 -0.147 -8.276 1.00 54.23 H new ATOM 0 HA CYS A 76 6.530 1.677 -7.702 1.00 40.02 H new ATOM 0 HB2 CYS A 76 4.350 1.530 -6.493 1.00 74.41 H new ATOM 0 HB3 CYS A 76 4.820 -0.019 -5.822 1.00 74.41 H new ATOM 0 HG CYS A 76 6.420 0.903 -3.904 1.00 72.34 H new ATOM 1224 N ILE A 77 7.303 -1.454 -7.148 1.00 3.13 N ATOM 1225 CA ILE A 77 8.378 -2.416 -6.820 1.00 33.04 C ATOM 1226 C ILE A 77 9.674 -2.079 -7.618 1.00 15.30 C ATOM 1227 O ILE A 77 10.783 -2.366 -7.161 1.00 40.13 O ATOM 1228 CB ILE A 77 7.860 -3.900 -7.078 1.00 44.40 C ATOM 1229 CG1 ILE A 77 8.560 -4.979 -6.169 1.00 30.25 C ATOM 1230 CG2 ILE A 77 7.957 -4.297 -8.568 1.00 61.32 C ATOM 1231 CD1 ILE A 77 9.969 -5.400 -6.566 1.00 2.32 C ATOM 0 H ILE A 77 6.493 -1.890 -7.589 1.00 3.13 H new ATOM 0 HA ILE A 77 8.638 -2.339 -5.764 1.00 33.04 H new ATOM 0 HB ILE A 77 6.808 -3.887 -6.793 1.00 44.40 H new ATOM 0 HG12 ILE A 77 8.595 -4.594 -5.150 1.00 30.25 H new ATOM 0 HG13 ILE A 77 7.931 -5.869 -6.152 1.00 30.25 H new ATOM 0 HG21 ILE A 77 7.593 -5.316 -8.697 1.00 61.32 H new ATOM 0 HG22 ILE A 77 7.351 -3.617 -9.166 1.00 61.32 H new ATOM 0 HG23 ILE A 77 8.996 -4.238 -8.893 1.00 61.32 H new ATOM 0 HD11 ILE A 77 10.338 -6.146 -5.862 1.00 2.32 H new ATOM 0 HD12 ILE A 77 9.953 -5.825 -7.569 1.00 2.32 H new ATOM 0 HD13 ILE A 77 10.626 -4.531 -6.551 1.00 2.32 H new ATOM 1243 N GLN A 78 9.513 -1.405 -8.789 1.00 1.24 N ATOM 1244 CA GLN A 78 10.647 -0.958 -9.631 1.00 54.43 C ATOM 1245 C GLN A 78 11.463 0.143 -8.915 1.00 61.13 C ATOM 1246 O GLN A 78 12.664 0.294 -9.159 1.00 64.11 O ATOM 1247 CB GLN A 78 10.141 -0.430 -10.998 1.00 14.13 C ATOM 1248 CG GLN A 78 9.341 -1.449 -11.835 1.00 23.33 C ATOM 1249 CD GLN A 78 10.160 -2.666 -12.288 1.00 54.43 C ATOM 1250 OE1 GLN A 78 11.372 -2.583 -12.501 1.00 32.15 O ATOM 1251 NE2 GLN A 78 9.502 -3.804 -12.443 1.00 71.24 N ATOM 0 H GLN A 78 8.599 -1.160 -9.170 1.00 1.24 H new ATOM 0 HA GLN A 78 11.294 -1.819 -9.803 1.00 54.43 H new ATOM 0 HB2 GLN A 78 9.515 0.445 -10.823 1.00 14.13 H new ATOM 0 HB3 GLN A 78 10.999 -0.097 -11.582 1.00 14.13 H new ATOM 0 HG2 GLN A 78 8.489 -1.795 -11.250 1.00 23.33 H new ATOM 0 HG3 GLN A 78 8.940 -0.946 -12.715 1.00 23.33 H new ATOM 0 HE21 GLN A 78 8.499 -3.843 -12.259 1.00 71.24 H new ATOM 0 HE22 GLN A 78 9.998 -4.642 -12.746 1.00 71.24 H new ATOM 1260 N LEU A 79 10.787 0.902 -8.030 1.00 33.32 N ATOM 1261 CA LEU A 79 11.413 1.959 -7.218 1.00 14.51 C ATOM 1262 C LEU A 79 11.862 1.416 -5.855 1.00 54.03 C ATOM 1263 O LEU A 79 12.881 1.853 -5.313 1.00 34.52 O ATOM 1264 CB LEU A 79 10.421 3.133 -7.018 1.00 4.03 C ATOM 1265 CG LEU A 79 9.951 3.845 -8.317 1.00 52.41 C ATOM 1266 CD1 LEU A 79 8.967 4.985 -7.999 1.00 13.10 C ATOM 1267 CD2 LEU A 79 11.153 4.349 -9.143 1.00 35.42 C ATOM 0 H LEU A 79 9.787 0.797 -7.859 1.00 33.32 H new ATOM 0 HA LEU A 79 12.294 2.318 -7.750 1.00 14.51 H new ATOM 0 HB2 LEU A 79 9.543 2.757 -6.493 1.00 4.03 H new ATOM 0 HB3 LEU A 79 10.888 3.873 -6.368 1.00 4.03 H new ATOM 0 HG LEU A 79 9.420 3.113 -8.926 1.00 52.41 H new ATOM 0 HD11 LEU A 79 8.655 5.465 -8.926 1.00 13.10 H new ATOM 0 HD12 LEU A 79 8.093 4.580 -7.488 1.00 13.10 H new ATOM 0 HD13 LEU A 79 9.455 5.718 -7.357 1.00 13.10 H new ATOM 0 HD21 LEU A 79 10.793 4.843 -10.046 1.00 35.42 H new ATOM 0 HD22 LEU A 79 11.732 5.056 -8.549 1.00 35.42 H new ATOM 0 HD23 LEU A 79 11.785 3.505 -9.419 1.00 35.42 H new ATOM 1279 N GLU A 80 11.089 0.468 -5.300 1.00 33.45 N ATOM 1280 CA GLU A 80 11.341 -0.071 -3.952 1.00 54.14 C ATOM 1281 C GLU A 80 10.912 -1.547 -3.850 1.00 41.13 C ATOM 1282 O GLU A 80 9.724 -1.839 -3.869 1.00 14.24 O ATOM 1283 CB GLU A 80 10.609 0.783 -2.887 1.00 3.23 C ATOM 1284 CG GLU A 80 10.842 0.359 -1.419 1.00 23.30 C ATOM 1285 CD GLU A 80 12.301 0.496 -0.945 1.00 55.23 C ATOM 1286 OE1 GLU A 80 13.146 -0.334 -1.332 1.00 70.04 O ATOM 1287 OE2 GLU A 80 12.604 1.420 -0.163 1.00 4.24 O ATOM 0 H GLU A 80 10.280 0.057 -5.766 1.00 33.45 H new ATOM 0 HA GLU A 80 12.414 -0.023 -3.765 1.00 54.14 H new ATOM 0 HB2 GLU A 80 10.922 1.821 -3.001 1.00 3.23 H new ATOM 0 HB3 GLU A 80 9.539 0.748 -3.091 1.00 3.23 H new ATOM 0 HG2 GLU A 80 10.204 0.962 -0.773 1.00 23.30 H new ATOM 0 HG3 GLU A 80 10.529 -0.678 -1.298 1.00 23.30 H new ATOM 1294 N PRO A 81 11.875 -2.515 -3.805 1.00 23.24 N ATOM 1295 CA PRO A 81 11.544 -3.936 -3.553 1.00 50.41 C ATOM 1296 C PRO A 81 11.226 -4.239 -2.066 1.00 30.31 C ATOM 1297 O PRO A 81 10.675 -5.297 -1.758 1.00 12.32 O ATOM 1298 CB PRO A 81 12.823 -4.668 -4.032 1.00 63.10 C ATOM 1299 CG PRO A 81 13.940 -3.691 -3.786 1.00 60.24 C ATOM 1300 CD PRO A 81 13.340 -2.315 -4.030 1.00 23.31 C ATOM 0 HA PRO A 81 10.637 -4.250 -4.069 1.00 50.41 H new ATOM 0 HB2 PRO A 81 12.979 -5.594 -3.479 1.00 63.10 H new ATOM 0 HB3 PRO A 81 12.755 -4.934 -5.087 1.00 63.10 H new ATOM 0 HG2 PRO A 81 14.320 -3.778 -2.768 1.00 60.24 H new ATOM 0 HG3 PRO A 81 14.779 -3.878 -4.457 1.00 60.24 H new ATOM 0 HD2 PRO A 81 13.751 -1.573 -3.346 1.00 23.31 H new ATOM 0 HD3 PRO A 81 13.544 -1.964 -5.041 1.00 23.31 H new ATOM 1308 N THR A 82 11.601 -3.318 -1.147 1.00 4.55 N ATOM 1309 CA THR A 82 11.510 -3.561 0.313 1.00 41.14 C ATOM 1310 C THR A 82 10.446 -2.688 1.032 1.00 40.23 C ATOM 1311 O THR A 82 10.534 -2.523 2.261 1.00 72.42 O ATOM 1312 CB THR A 82 12.917 -3.407 1.007 1.00 32.34 C ATOM 1313 OG1 THR A 82 13.415 -2.081 0.844 1.00 72.15 O ATOM 1314 CG2 THR A 82 13.950 -4.408 0.451 1.00 73.23 C ATOM 0 H THR A 82 11.970 -2.399 -1.391 1.00 4.55 H new ATOM 0 HA THR A 82 11.173 -4.593 0.415 1.00 41.14 H new ATOM 0 HB THR A 82 12.771 -3.619 2.066 1.00 32.34 H new ATOM 0 HG1 THR A 82 13.220 -1.768 -0.064 1.00 72.15 H new ATOM 0 HG21 THR A 82 14.904 -4.265 0.958 1.00 73.23 H new ATOM 0 HG22 THR A 82 13.598 -5.426 0.620 1.00 73.23 H new ATOM 0 HG23 THR A 82 14.079 -4.241 -0.618 1.00 73.23 H new ATOM 1322 N PHE A 83 9.445 -2.114 0.304 1.00 2.12 N ATOM 1323 CA PHE A 83 8.356 -1.346 0.978 1.00 31.31 C ATOM 1324 C PHE A 83 7.499 -2.276 1.880 1.00 75.04 C ATOM 1325 O PHE A 83 7.043 -3.331 1.446 1.00 14.00 O ATOM 1326 CB PHE A 83 7.464 -0.505 -0.008 1.00 71.50 C ATOM 1327 CG PHE A 83 6.868 -1.220 -1.243 1.00 42.32 C ATOM 1328 CD1 PHE A 83 5.964 -2.273 -1.124 1.00 53.43 C ATOM 1329 CD2 PHE A 83 7.200 -0.809 -2.530 1.00 71.43 C ATOM 1330 CE1 PHE A 83 5.425 -2.890 -2.234 1.00 40.04 C ATOM 1331 CE2 PHE A 83 6.656 -1.427 -3.638 1.00 32.24 C ATOM 1332 CZ PHE A 83 5.775 -2.466 -3.493 1.00 2.24 C ATOM 0 H PHE A 83 9.369 -2.164 -0.712 1.00 2.12 H new ATOM 0 HA PHE A 83 8.852 -0.610 1.611 1.00 31.31 H new ATOM 0 HB2 PHE A 83 6.637 -0.086 0.566 1.00 71.50 H new ATOM 0 HB3 PHE A 83 8.062 0.334 -0.365 1.00 71.50 H new ATOM 0 HD1 PHE A 83 5.678 -2.614 -0.140 1.00 53.43 H new ATOM 0 HD2 PHE A 83 7.895 0.007 -2.664 1.00 71.43 H new ATOM 0 HE1 PHE A 83 4.728 -3.706 -2.113 1.00 40.04 H new ATOM 0 HE2 PHE A 83 6.927 -1.089 -4.627 1.00 32.24 H new ATOM 0 HZ PHE A 83 5.358 -2.949 -4.364 1.00 2.24 H new ATOM 1342 N ILE A 84 7.343 -1.885 3.151 1.00 24.21 N ATOM 1343 CA ILE A 84 6.593 -2.661 4.155 1.00 74.55 C ATOM 1344 C ILE A 84 5.095 -2.364 4.045 1.00 11.21 C ATOM 1345 O ILE A 84 4.289 -3.282 3.886 1.00 23.44 O ATOM 1346 CB ILE A 84 7.138 -2.344 5.602 1.00 41.44 C ATOM 1347 CG1 ILE A 84 8.586 -2.924 5.757 1.00 74.52 C ATOM 1348 CG2 ILE A 84 6.192 -2.844 6.725 1.00 24.14 C ATOM 1349 CD1 ILE A 84 9.245 -2.708 7.106 1.00 54.31 C ATOM 0 H ILE A 84 7.734 -1.017 3.517 1.00 24.21 H new ATOM 0 HA ILE A 84 6.736 -3.725 3.966 1.00 74.55 H new ATOM 0 HB ILE A 84 7.176 -1.261 5.716 1.00 41.44 H new ATOM 0 HG12 ILE A 84 8.551 -3.995 5.559 1.00 74.52 H new ATOM 0 HG13 ILE A 84 9.219 -2.479 4.990 1.00 74.52 H new ATOM 0 HG21 ILE A 84 6.619 -2.598 7.697 1.00 24.14 H new ATOM 0 HG22 ILE A 84 5.220 -2.362 6.623 1.00 24.14 H new ATOM 0 HG23 ILE A 84 6.071 -3.924 6.645 1.00 24.14 H new ATOM 0 HD11 ILE A 84 10.241 -3.150 7.099 1.00 54.31 H new ATOM 0 HD12 ILE A 84 9.323 -1.639 7.306 1.00 54.31 H new ATOM 0 HD13 ILE A 84 8.644 -3.179 7.884 1.00 54.31 H new ATOM 1361 N LYS A 85 4.743 -1.061 4.102 1.00 14.33 N ATOM 1362 CA LYS A 85 3.336 -0.593 4.061 1.00 31.13 C ATOM 1363 C LYS A 85 2.634 -1.005 2.758 1.00 33.11 C ATOM 1364 O LYS A 85 1.428 -1.277 2.758 1.00 54.53 O ATOM 1365 CB LYS A 85 3.279 0.949 4.265 1.00 64.35 C ATOM 1366 CG LYS A 85 3.615 1.403 5.705 1.00 74.42 C ATOM 1367 CD LYS A 85 2.554 0.929 6.729 1.00 10.22 C ATOM 1368 CE LYS A 85 2.960 1.218 8.184 1.00 32.23 C ATOM 1369 NZ LYS A 85 4.152 0.422 8.598 1.00 34.34 N ATOM 0 H LYS A 85 5.423 -0.304 4.178 1.00 14.33 H new ATOM 0 HA LYS A 85 2.797 -1.075 4.877 1.00 31.13 H new ATOM 0 HB2 LYS A 85 3.975 1.423 3.573 1.00 64.35 H new ATOM 0 HB3 LYS A 85 2.281 1.303 4.006 1.00 64.35 H new ATOM 0 HG2 LYS A 85 4.592 1.012 5.989 1.00 74.42 H new ATOM 0 HG3 LYS A 85 3.686 2.490 5.734 1.00 74.42 H new ATOM 0 HD2 LYS A 85 1.605 1.422 6.517 1.00 10.22 H new ATOM 0 HD3 LYS A 85 2.391 -0.142 6.608 1.00 10.22 H new ATOM 0 HE2 LYS A 85 3.176 2.280 8.296 1.00 32.23 H new ATOM 0 HE3 LYS A 85 2.124 0.991 8.846 1.00 32.23 H new ATOM 0 HZ1 LYS A 85 3.870 -0.279 9.313 1.00 34.34 H new ATOM 0 HZ2 LYS A 85 4.547 -0.068 7.770 1.00 34.34 H new ATOM 0 HZ3 LYS A 85 4.871 1.057 9.000 1.00 34.34 H new ATOM 1383 N GLY A 86 3.408 -1.055 1.659 1.00 22.32 N ATOM 1384 CA GLY A 86 2.906 -1.523 0.382 1.00 60.23 C ATOM 1385 C GLY A 86 2.512 -2.989 0.420 1.00 15.41 C ATOM 1386 O GLY A 86 1.416 -3.335 -0.002 1.00 55.32 O ATOM 0 H GLY A 86 4.388 -0.772 1.644 1.00 22.32 H new ATOM 0 HA2 GLY A 86 2.042 -0.924 0.092 1.00 60.23 H new ATOM 0 HA3 GLY A 86 3.668 -1.374 -0.382 1.00 60.23 H new ATOM 1390 N TYR A 87 3.413 -3.843 0.959 1.00 63.14 N ATOM 1391 CA TYR A 87 3.173 -5.300 1.086 1.00 63.03 C ATOM 1392 C TYR A 87 2.036 -5.622 2.081 1.00 11.40 C ATOM 1393 O TYR A 87 1.348 -6.640 1.922 1.00 1.43 O ATOM 1394 CB TYR A 87 4.486 -6.049 1.468 1.00 54.31 C ATOM 1395 CG TYR A 87 5.514 -6.186 0.325 1.00 22.44 C ATOM 1396 CD1 TYR A 87 5.110 -6.248 -1.017 1.00 64.10 C ATOM 1397 CD2 TYR A 87 6.885 -6.266 0.585 1.00 13.41 C ATOM 1398 CE1 TYR A 87 6.026 -6.378 -2.040 1.00 22.21 C ATOM 1399 CE2 TYR A 87 7.807 -6.392 -0.441 1.00 60.32 C ATOM 1400 CZ TYR A 87 7.371 -6.446 -1.751 1.00 21.33 C ATOM 1401 OH TYR A 87 8.280 -6.559 -2.778 1.00 62.23 O ATOM 0 H TYR A 87 4.321 -3.545 1.316 1.00 63.14 H new ATOM 0 HA TYR A 87 2.847 -5.658 0.109 1.00 63.03 H new ATOM 0 HB2 TYR A 87 4.957 -5.525 2.299 1.00 54.31 H new ATOM 0 HB3 TYR A 87 4.227 -7.046 1.825 1.00 54.31 H new ATOM 0 HD1 TYR A 87 4.058 -6.193 -1.255 1.00 64.10 H new ATOM 0 HD2 TYR A 87 7.233 -6.229 1.607 1.00 13.41 H new ATOM 0 HE1 TYR A 87 5.689 -6.426 -3.065 1.00 22.21 H new ATOM 0 HE2 TYR A 87 8.862 -6.448 -0.218 1.00 60.32 H new ATOM 0 HH TYR A 87 9.129 -6.149 -2.510 1.00 62.23 H new ATOM 1411 N THR A 88 1.841 -4.745 3.085 1.00 14.44 N ATOM 1412 CA THR A 88 0.739 -4.859 4.055 1.00 50.55 C ATOM 1413 C THR A 88 -0.626 -4.692 3.337 1.00 51.04 C ATOM 1414 O THR A 88 -1.597 -5.387 3.651 1.00 72.03 O ATOM 1415 CB THR A 88 0.890 -3.791 5.199 1.00 31.44 C ATOM 1416 OG1 THR A 88 2.201 -3.893 5.785 1.00 14.04 O ATOM 1417 CG2 THR A 88 -0.173 -3.955 6.310 1.00 3.50 C ATOM 0 H THR A 88 2.444 -3.938 3.245 1.00 14.44 H new ATOM 0 HA THR A 88 0.780 -5.850 4.507 1.00 50.55 H new ATOM 0 HB THR A 88 0.744 -2.811 4.744 1.00 31.44 H new ATOM 0 HG1 THR A 88 2.875 -3.619 5.129 1.00 14.04 H new ATOM 0 HG21 THR A 88 -0.022 -3.192 7.074 1.00 3.50 H new ATOM 0 HG22 THR A 88 -1.169 -3.846 5.880 1.00 3.50 H new ATOM 0 HG23 THR A 88 -0.079 -4.943 6.761 1.00 3.50 H new ATOM 1425 N ARG A 89 -0.677 -3.748 2.369 1.00 0.44 N ATOM 1426 CA ARG A 89 -1.891 -3.461 1.569 1.00 65.23 C ATOM 1427 C ARG A 89 -2.019 -4.410 0.361 1.00 55.12 C ATOM 1428 O ARG A 89 -3.128 -4.686 -0.102 1.00 25.22 O ATOM 1429 CB ARG A 89 -1.893 -1.971 1.098 1.00 51.23 C ATOM 1430 CG ARG A 89 -1.724 -0.899 2.219 1.00 72.22 C ATOM 1431 CD ARG A 89 -2.826 -0.914 3.302 1.00 21.51 C ATOM 1432 NE ARG A 89 -2.773 -2.117 4.165 1.00 52.04 N ATOM 1433 CZ ARG A 89 -3.648 -2.434 5.127 1.00 35.41 C ATOM 1434 NH1 ARG A 89 -4.669 -1.641 5.414 1.00 73.42 N ATOM 1435 NH2 ARG A 89 -3.522 -3.594 5.751 1.00 35.43 N ATOM 0 H ARG A 89 0.122 -3.164 2.120 1.00 0.44 H new ATOM 0 HA ARG A 89 -2.756 -3.631 2.211 1.00 65.23 H new ATOM 0 HB2 ARG A 89 -1.090 -1.839 0.373 1.00 51.23 H new ATOM 0 HB3 ARG A 89 -2.830 -1.777 0.576 1.00 51.23 H new ATOM 0 HG2 ARG A 89 -0.758 -1.048 2.702 1.00 72.22 H new ATOM 0 HG3 ARG A 89 -1.701 0.088 1.758 1.00 72.22 H new ATOM 0 HD2 ARG A 89 -2.729 -0.023 3.923 1.00 21.51 H new ATOM 0 HD3 ARG A 89 -3.802 -0.862 2.820 1.00 21.51 H new ATOM 0 HE ARG A 89 -1.999 -2.763 4.012 1.00 52.04 H new ATOM 0 HH11 ARG A 89 -4.800 -0.771 4.898 1.00 73.42 H new ATOM 0 HH12 ARG A 89 -5.325 -1.900 6.151 1.00 73.42 H new ATOM 0 HH21 ARG A 89 -2.767 -4.231 5.496 1.00 35.43 H new ATOM 0 HH22 ARG A 89 -4.180 -3.852 6.487 1.00 35.43 H new ATOM 1449 N LYS A 90 -0.869 -4.912 -0.124 1.00 2.31 N ATOM 1450 CA LYS A 90 -0.789 -5.712 -1.362 1.00 54.32 C ATOM 1451 C LYS A 90 -1.291 -7.135 -1.118 1.00 70.41 C ATOM 1452 O LYS A 90 -2.092 -7.658 -1.892 1.00 21.55 O ATOM 1453 CB LYS A 90 0.671 -5.739 -1.893 1.00 0.24 C ATOM 1454 CG LYS A 90 0.864 -6.404 -3.272 1.00 72.20 C ATOM 1455 CD LYS A 90 -0.037 -5.766 -4.356 1.00 20.12 C ATOM 1456 CE LYS A 90 0.350 -6.195 -5.772 1.00 11.50 C ATOM 1457 NZ LYS A 90 0.310 -7.670 -5.961 1.00 11.33 N ATOM 0 H LYS A 90 0.033 -4.775 0.332 1.00 2.31 H new ATOM 0 HA LYS A 90 -1.427 -5.247 -2.114 1.00 54.32 H new ATOM 0 HB2 LYS A 90 1.038 -4.714 -1.949 1.00 0.24 H new ATOM 0 HB3 LYS A 90 1.294 -6.261 -1.167 1.00 0.24 H new ATOM 0 HG2 LYS A 90 1.908 -6.318 -3.573 1.00 72.20 H new ATOM 0 HG3 LYS A 90 0.641 -7.468 -3.196 1.00 72.20 H new ATOM 0 HD2 LYS A 90 -1.075 -6.041 -4.168 1.00 20.12 H new ATOM 0 HD3 LYS A 90 0.024 -4.680 -4.280 1.00 20.12 H new ATOM 0 HE2 LYS A 90 -0.325 -5.724 -6.486 1.00 11.50 H new ATOM 0 HE3 LYS A 90 1.353 -5.832 -5.995 1.00 11.50 H new ATOM 0 HZ1 LYS A 90 0.725 -7.913 -6.883 1.00 11.33 H new ATOM 0 HZ2 LYS A 90 0.854 -8.132 -5.204 1.00 11.33 H new ATOM 0 HZ3 LYS A 90 -0.676 -7.998 -5.928 1.00 11.33 H new ATOM 1471 N ALA A 91 -0.803 -7.745 -0.034 1.00 14.13 N ATOM 1472 CA ALA A 91 -1.219 -9.077 0.393 1.00 25.01 C ATOM 1473 C ALA A 91 -2.673 -9.067 0.878 1.00 3.41 C ATOM 1474 O ALA A 91 -3.393 -10.049 0.713 1.00 70.12 O ATOM 1475 CB ALA A 91 -0.275 -9.576 1.478 1.00 40.42 C ATOM 0 H ALA A 91 -0.102 -7.322 0.575 1.00 14.13 H new ATOM 0 HA ALA A 91 -1.169 -9.759 -0.456 1.00 25.01 H new ATOM 0 HB1 ALA A 91 -0.583 -10.571 1.799 1.00 40.42 H new ATOM 0 HB2 ALA A 91 0.741 -9.620 1.085 1.00 40.42 H new ATOM 0 HB3 ALA A 91 -0.305 -8.895 2.328 1.00 40.42 H new ATOM 1481 N ALA A 92 -3.090 -7.933 1.471 1.00 32.34 N ATOM 1482 CA ALA A 92 -4.487 -7.700 1.859 1.00 10.35 C ATOM 1483 C ALA A 92 -5.397 -7.641 0.615 1.00 42.02 C ATOM 1484 O ALA A 92 -6.534 -8.128 0.640 1.00 61.13 O ATOM 1485 CB ALA A 92 -4.600 -6.409 2.683 1.00 64.12 C ATOM 0 H ALA A 92 -2.467 -7.156 1.693 1.00 32.34 H new ATOM 0 HA ALA A 92 -4.820 -8.534 2.477 1.00 10.35 H new ATOM 0 HB1 ALA A 92 -5.640 -6.247 2.965 1.00 64.12 H new ATOM 0 HB2 ALA A 92 -3.990 -6.497 3.582 1.00 64.12 H new ATOM 0 HB3 ALA A 92 -4.250 -5.566 2.088 1.00 64.12 H new ATOM 1491 N ALA A 93 -4.883 -7.037 -0.471 1.00 22.32 N ATOM 1492 CA ALA A 93 -5.593 -6.969 -1.754 1.00 55.32 C ATOM 1493 C ALA A 93 -5.721 -8.375 -2.371 1.00 74.33 C ATOM 1494 O ALA A 93 -6.805 -8.767 -2.810 1.00 41.15 O ATOM 1495 CB ALA A 93 -4.884 -6.000 -2.706 1.00 75.04 C ATOM 0 H ALA A 93 -3.968 -6.585 -0.481 1.00 22.32 H new ATOM 0 HA ALA A 93 -6.600 -6.588 -1.582 1.00 55.32 H new ATOM 0 HB1 ALA A 93 -5.423 -5.961 -3.653 1.00 75.04 H new ATOM 0 HB2 ALA A 93 -4.860 -5.005 -2.261 1.00 75.04 H new ATOM 0 HB3 ALA A 93 -3.865 -6.344 -2.882 1.00 75.04 H new ATOM 1501 N LEU A 94 -4.609 -9.140 -2.338 1.00 15.41 N ATOM 1502 CA LEU A 94 -4.566 -10.545 -2.805 1.00 62.23 C ATOM 1503 C LEU A 94 -5.558 -11.420 -2.013 1.00 75.43 C ATOM 1504 O LEU A 94 -6.222 -12.279 -2.588 1.00 54.33 O ATOM 1505 CB LEU A 94 -3.127 -11.117 -2.687 1.00 75.43 C ATOM 1506 CG LEU A 94 -2.060 -10.456 -3.612 1.00 42.12 C ATOM 1507 CD1 LEU A 94 -0.646 -10.965 -3.295 1.00 54.22 C ATOM 1508 CD2 LEU A 94 -2.402 -10.668 -5.102 1.00 11.33 C ATOM 0 H LEU A 94 -3.713 -8.801 -1.986 1.00 15.41 H new ATOM 0 HA LEU A 94 -4.861 -10.560 -3.854 1.00 62.23 H new ATOM 0 HB2 LEU A 94 -2.798 -11.014 -1.653 1.00 75.43 H new ATOM 0 HB3 LEU A 94 -3.161 -12.184 -2.906 1.00 75.43 H new ATOM 0 HG LEU A 94 -2.078 -9.384 -3.413 1.00 42.12 H new ATOM 0 HD11 LEU A 94 0.072 -10.483 -3.959 1.00 54.22 H new ATOM 0 HD12 LEU A 94 -0.398 -10.729 -2.260 1.00 54.22 H new ATOM 0 HD13 LEU A 94 -0.607 -12.045 -3.441 1.00 54.22 H new ATOM 0 HD21 LEU A 94 -1.639 -10.196 -5.721 1.00 11.33 H new ATOM 0 HD22 LEU A 94 -2.436 -11.736 -5.319 1.00 11.33 H new ATOM 0 HD23 LEU A 94 -3.373 -10.223 -5.319 1.00 11.33 H new ATOM 1520 N GLU A 95 -5.675 -11.149 -0.699 1.00 71.50 N ATOM 1521 CA GLU A 95 -6.669 -11.795 0.182 1.00 53.20 C ATOM 1522 C GLU A 95 -8.098 -11.545 -0.347 1.00 13.00 C ATOM 1523 O GLU A 95 -8.941 -12.451 -0.326 1.00 11.44 O ATOM 1524 CB GLU A 95 -6.528 -11.259 1.634 1.00 54.50 C ATOM 1525 CG GLU A 95 -7.600 -11.767 2.634 1.00 24.43 C ATOM 1526 CD GLU A 95 -7.523 -11.106 4.017 1.00 62.21 C ATOM 1527 OE1 GLU A 95 -7.865 -9.901 4.132 1.00 21.21 O ATOM 1528 OE2 GLU A 95 -7.130 -11.774 4.996 1.00 23.20 O ATOM 0 H GLU A 95 -5.082 -10.474 -0.217 1.00 71.50 H new ATOM 0 HA GLU A 95 -6.485 -12.869 0.187 1.00 53.20 H new ATOM 0 HB2 GLU A 95 -5.543 -11.534 2.011 1.00 54.50 H new ATOM 0 HB3 GLU A 95 -6.566 -10.170 1.607 1.00 54.50 H new ATOM 0 HG2 GLU A 95 -8.589 -11.590 2.212 1.00 24.43 H new ATOM 0 HG3 GLU A 95 -7.492 -12.845 2.751 1.00 24.43 H new ATOM 1535 N ALA A 96 -8.327 -10.332 -0.899 1.00 51.14 N ATOM 1536 CA ALA A 96 -9.642 -9.926 -1.426 1.00 73.14 C ATOM 1537 C ALA A 96 -9.863 -10.511 -2.838 1.00 11.32 C ATOM 1538 O ALA A 96 -10.964 -10.423 -3.388 1.00 22.43 O ATOM 1539 CB ALA A 96 -9.751 -8.390 -1.429 1.00 21.41 C ATOM 0 H ALA A 96 -7.608 -9.614 -0.990 1.00 51.14 H new ATOM 0 HA ALA A 96 -10.426 -10.322 -0.781 1.00 73.14 H new ATOM 0 HB1 ALA A 96 -10.725 -8.095 -1.820 1.00 21.41 H new ATOM 0 HB2 ALA A 96 -9.639 -8.015 -0.412 1.00 21.41 H new ATOM 0 HB3 ALA A 96 -8.966 -7.971 -2.058 1.00 21.41 H new ATOM 1545 N MET A 97 -8.797 -11.111 -3.412 1.00 33.24 N ATOM 1546 CA MET A 97 -8.853 -11.837 -4.699 1.00 54.23 C ATOM 1547 C MET A 97 -8.858 -13.360 -4.442 1.00 43.43 C ATOM 1548 O MET A 97 -8.745 -14.153 -5.382 1.00 45.40 O ATOM 1549 CB MET A 97 -7.643 -11.442 -5.586 1.00 23.30 C ATOM 1550 CG MET A 97 -7.559 -9.954 -5.914 1.00 20.25 C ATOM 1551 SD MET A 97 -9.034 -9.361 -6.771 1.00 5.14 S ATOM 1552 CE MET A 97 -8.749 -7.599 -6.761 1.00 42.52 C ATOM 0 H MET A 97 -7.868 -11.105 -2.992 1.00 33.24 H new ATOM 0 HA MET A 97 -9.770 -11.566 -5.222 1.00 54.23 H new ATOM 0 HB2 MET A 97 -6.725 -11.742 -5.081 1.00 23.30 H new ATOM 0 HB3 MET A 97 -7.693 -12.005 -6.518 1.00 23.30 H new ATOM 0 HG2 MET A 97 -7.424 -9.388 -4.993 1.00 20.25 H new ATOM 0 HG3 MET A 97 -6.682 -9.769 -6.534 1.00 20.25 H new ATOM 0 HE1 MET A 97 -9.671 -7.080 -7.024 1.00 42.52 H new ATOM 0 HE2 MET A 97 -8.429 -7.288 -5.767 1.00 42.52 H new ATOM 0 HE3 MET A 97 -7.973 -7.352 -7.486 1.00 42.52 H new ATOM 1562 N LYS A 98 -8.977 -13.748 -3.145 1.00 12.24 N ATOM 1563 CA LYS A 98 -8.985 -15.157 -2.668 1.00 32.42 C ATOM 1564 C LYS A 98 -7.608 -15.843 -2.846 1.00 2.14 C ATOM 1565 O LYS A 98 -7.479 -17.049 -2.612 1.00 21.41 O ATOM 1566 CB LYS A 98 -10.114 -15.994 -3.354 1.00 11.04 C ATOM 1567 CG LYS A 98 -11.537 -15.397 -3.240 1.00 75.34 C ATOM 1568 CD LYS A 98 -12.081 -15.334 -1.797 1.00 15.42 C ATOM 1569 CE LYS A 98 -12.208 -16.722 -1.137 1.00 61.41 C ATOM 1570 NZ LYS A 98 -13.022 -17.670 -1.943 1.00 62.10 N ATOM 0 H LYS A 98 -9.072 -13.075 -2.385 1.00 12.24 H new ATOM 0 HA LYS A 98 -9.196 -15.119 -1.599 1.00 32.42 H new ATOM 0 HB2 LYS A 98 -9.869 -16.109 -4.410 1.00 11.04 H new ATOM 0 HB3 LYS A 98 -10.120 -16.993 -2.918 1.00 11.04 H new ATOM 0 HG2 LYS A 98 -11.532 -14.391 -3.659 1.00 75.34 H new ATOM 0 HG3 LYS A 98 -12.219 -15.992 -3.848 1.00 75.34 H new ATOM 0 HD2 LYS A 98 -11.422 -14.710 -1.193 1.00 15.42 H new ATOM 0 HD3 LYS A 98 -13.058 -14.851 -1.804 1.00 15.42 H new ATOM 0 HE2 LYS A 98 -11.213 -17.141 -0.987 1.00 61.41 H new ATOM 0 HE3 LYS A 98 -12.659 -16.611 -0.151 1.00 61.41 H new ATOM 0 HZ1 LYS A 98 -13.160 -18.551 -1.408 1.00 62.10 H new ATOM 0 HZ2 LYS A 98 -13.947 -17.243 -2.151 1.00 62.10 H new ATOM 0 HZ3 LYS A 98 -12.529 -17.880 -2.834 1.00 62.10 H new ATOM 1584 N ASP A 99 -6.579 -15.053 -3.205 1.00 43.31 N ATOM 1585 CA ASP A 99 -5.209 -15.534 -3.472 1.00 73.34 C ATOM 1586 C ASP A 99 -4.384 -15.603 -2.167 1.00 13.35 C ATOM 1587 O ASP A 99 -3.252 -15.130 -2.122 1.00 12.40 O ATOM 1588 CB ASP A 99 -4.525 -14.604 -4.524 1.00 25.24 C ATOM 1589 CG ASP A 99 -5.124 -14.722 -5.938 1.00 45.03 C ATOM 1590 OD1 ASP A 99 -5.206 -15.852 -6.459 1.00 62.14 O ATOM 1591 OD2 ASP A 99 -5.524 -13.699 -6.537 1.00 2.30 O ATOM 0 H ASP A 99 -6.677 -14.044 -3.320 1.00 43.31 H new ATOM 0 HA ASP A 99 -5.259 -16.545 -3.877 1.00 73.34 H new ATOM 0 HB2 ASP A 99 -4.607 -13.570 -4.189 1.00 25.24 H new ATOM 0 HB3 ASP A 99 -3.462 -14.841 -4.569 1.00 25.24 H new ATOM 1596 N TYR A 100 -4.964 -16.250 -1.132 1.00 23.25 N ATOM 1597 CA TYR A 100 -4.352 -16.427 0.209 1.00 3.54 C ATOM 1598 C TYR A 100 -2.928 -17.010 0.154 1.00 1.12 C ATOM 1599 O TYR A 100 -2.094 -16.669 0.989 1.00 43.54 O ATOM 1600 CB TYR A 100 -5.237 -17.359 1.070 1.00 34.42 C ATOM 1601 CG TYR A 100 -6.707 -16.926 1.148 1.00 51.35 C ATOM 1602 CD1 TYR A 100 -7.047 -15.608 1.451 1.00 4.24 C ATOM 1603 CD2 TYR A 100 -7.747 -17.832 0.921 1.00 73.32 C ATOM 1604 CE1 TYR A 100 -8.362 -15.216 1.530 1.00 1.15 C ATOM 1605 CE2 TYR A 100 -9.063 -17.438 0.996 1.00 12.25 C ATOM 1606 CZ TYR A 100 -9.365 -16.130 1.304 1.00 53.42 C ATOM 1607 OH TYR A 100 -10.679 -15.741 1.414 1.00 24.53 O ATOM 0 H TYR A 100 -5.889 -16.673 -1.204 1.00 23.25 H new ATOM 0 HA TYR A 100 -4.283 -15.433 0.650 1.00 3.54 H new ATOM 0 HB2 TYR A 100 -5.187 -18.369 0.663 1.00 34.42 H new ATOM 0 HB3 TYR A 100 -4.827 -17.402 2.079 1.00 34.42 H new ATOM 0 HD1 TYR A 100 -6.265 -14.884 1.626 1.00 4.24 H new ATOM 0 HD2 TYR A 100 -7.513 -18.859 0.683 1.00 73.32 H new ATOM 0 HE1 TYR A 100 -8.608 -14.192 1.769 1.00 1.15 H new ATOM 0 HE2 TYR A 100 -9.854 -18.150 0.814 1.00 12.25 H new ATOM 0 HH TYR A 100 -10.760 -14.792 1.182 1.00 24.53 H new ATOM 1617 N THR A 101 -2.684 -17.893 -0.827 1.00 61.10 N ATOM 1618 CA THR A 101 -1.379 -18.532 -1.036 1.00 11.10 C ATOM 1619 C THR A 101 -0.328 -17.513 -1.520 1.00 1.35 C ATOM 1620 O THR A 101 0.854 -17.608 -1.173 1.00 4.52 O ATOM 1621 CB THR A 101 -1.507 -19.707 -2.057 1.00 11.04 C ATOM 1622 OG1 THR A 101 -2.058 -19.219 -3.297 1.00 50.43 O ATOM 1623 CG2 THR A 101 -2.402 -20.838 -1.507 1.00 45.41 C ATOM 0 H THR A 101 -3.392 -18.184 -1.501 1.00 61.10 H new ATOM 0 HA THR A 101 -1.043 -18.931 -0.079 1.00 11.10 H new ATOM 0 HB THR A 101 -0.510 -20.113 -2.227 1.00 11.04 H new ATOM 0 HG1 THR A 101 -2.135 -19.959 -3.935 1.00 50.43 H new ATOM 0 HG21 THR A 101 -2.469 -21.639 -2.243 1.00 45.41 H new ATOM 0 HG22 THR A 101 -1.971 -21.228 -0.585 1.00 45.41 H new ATOM 0 HG23 THR A 101 -3.399 -20.447 -1.304 1.00 45.41 H new ATOM 1631 N LYS A 102 -0.778 -16.529 -2.321 1.00 53.04 N ATOM 1632 CA LYS A 102 0.087 -15.444 -2.822 1.00 61.05 C ATOM 1633 C LYS A 102 0.245 -14.368 -1.738 1.00 45.04 C ATOM 1634 O LYS A 102 1.305 -13.764 -1.605 1.00 54.14 O ATOM 1635 CB LYS A 102 -0.510 -14.833 -4.124 1.00 70.53 C ATOM 1636 CG LYS A 102 -1.020 -15.889 -5.130 1.00 4.12 C ATOM 1637 CD LYS A 102 0.061 -16.928 -5.524 1.00 34.12 C ATOM 1638 CE LYS A 102 -0.543 -18.154 -6.216 1.00 35.11 C ATOM 1639 NZ LYS A 102 0.498 -19.151 -6.579 1.00 22.45 N ATOM 0 H LYS A 102 -1.745 -16.463 -2.638 1.00 53.04 H new ATOM 0 HA LYS A 102 1.070 -15.850 -3.060 1.00 61.05 H new ATOM 0 HB2 LYS A 102 -1.333 -14.170 -3.859 1.00 70.53 H new ATOM 0 HB3 LYS A 102 0.250 -14.220 -4.609 1.00 70.53 H new ATOM 0 HG2 LYS A 102 -1.875 -16.409 -4.699 1.00 4.12 H new ATOM 0 HG3 LYS A 102 -1.374 -15.384 -6.029 1.00 4.12 H new ATOM 0 HD2 LYS A 102 0.789 -16.460 -6.187 1.00 34.12 H new ATOM 0 HD3 LYS A 102 0.601 -17.245 -4.632 1.00 34.12 H new ATOM 0 HE2 LYS A 102 -1.277 -18.618 -5.558 1.00 35.11 H new ATOM 0 HE3 LYS A 102 -1.074 -17.840 -7.114 1.00 35.11 H new ATOM 0 HZ1 LYS A 102 0.051 -19.966 -7.045 1.00 22.45 H new ATOM 0 HZ2 LYS A 102 1.185 -18.715 -7.227 1.00 22.45 H new ATOM 0 HZ3 LYS A 102 0.988 -19.470 -5.719 1.00 22.45 H new ATOM 1653 N ALA A 103 -0.834 -14.166 -0.960 1.00 52.45 N ATOM 1654 CA ALA A 103 -0.889 -13.179 0.118 1.00 2.33 C ATOM 1655 C ALA A 103 0.119 -13.524 1.215 1.00 43.51 C ATOM 1656 O ALA A 103 0.971 -12.708 1.543 1.00 52.31 O ATOM 1657 CB ALA A 103 -2.313 -13.078 0.690 1.00 25.45 C ATOM 0 H ALA A 103 -1.700 -14.694 -1.069 1.00 52.45 H new ATOM 0 HA ALA A 103 -0.622 -12.205 -0.293 1.00 2.33 H new ATOM 0 HB1 ALA A 103 -2.332 -12.338 1.491 1.00 25.45 H new ATOM 0 HB2 ALA A 103 -3.002 -12.776 -0.099 1.00 25.45 H new ATOM 0 HB3 ALA A 103 -2.616 -14.048 1.085 1.00 25.45 H new ATOM 1663 N MET A 104 0.040 -14.769 1.731 1.00 73.25 N ATOM 1664 CA MET A 104 0.906 -15.261 2.827 1.00 10.32 C ATOM 1665 C MET A 104 2.395 -15.192 2.458 1.00 21.45 C ATOM 1666 O MET A 104 3.243 -15.026 3.338 1.00 12.23 O ATOM 1667 CB MET A 104 0.532 -16.711 3.220 1.00 15.14 C ATOM 1668 CG MET A 104 0.761 -17.771 2.131 1.00 71.30 C ATOM 1669 SD MET A 104 0.345 -19.438 2.677 1.00 43.34 S ATOM 1670 CE MET A 104 -1.313 -19.203 3.312 1.00 1.52 C ATOM 0 H MET A 104 -0.628 -15.465 1.399 1.00 73.25 H new ATOM 0 HA MET A 104 0.738 -14.604 3.680 1.00 10.32 H new ATOM 0 HB2 MET A 104 1.109 -16.990 4.102 1.00 15.14 H new ATOM 0 HB3 MET A 104 -0.519 -16.731 3.507 1.00 15.14 H new ATOM 0 HG2 MET A 104 0.162 -17.521 1.256 1.00 71.30 H new ATOM 0 HG3 MET A 104 1.805 -17.746 1.820 1.00 71.30 H new ATOM 0 HE1 MET A 104 -1.637 -20.107 3.827 1.00 1.52 H new ATOM 0 HE2 MET A 104 -1.320 -18.366 4.010 1.00 1.52 H new ATOM 0 HE3 MET A 104 -1.992 -18.992 2.486 1.00 1.52 H new ATOM 1680 N ASP A 105 2.681 -15.324 1.147 1.00 64.30 N ATOM 1681 CA ASP A 105 4.033 -15.207 0.598 1.00 12.31 C ATOM 1682 C ASP A 105 4.532 -13.761 0.787 1.00 43.11 C ATOM 1683 O ASP A 105 5.659 -13.536 1.216 1.00 30.14 O ATOM 1684 CB ASP A 105 4.022 -15.599 -0.907 1.00 33.20 C ATOM 1685 CG ASP A 105 5.425 -15.849 -1.477 1.00 64.22 C ATOM 1686 OD1 ASP A 105 6.105 -14.887 -1.890 1.00 11.43 O ATOM 1687 OD2 ASP A 105 5.863 -17.019 -1.504 1.00 12.43 O ATOM 0 H ASP A 105 1.971 -15.516 0.441 1.00 64.30 H new ATOM 0 HA ASP A 105 4.709 -15.883 1.122 1.00 12.31 H new ATOM 0 HB2 ASP A 105 3.419 -16.497 -1.037 1.00 33.20 H new ATOM 0 HB3 ASP A 105 3.541 -14.806 -1.479 1.00 33.20 H new ATOM 1692 N VAL A 106 3.626 -12.795 0.528 1.00 10.42 N ATOM 1693 CA VAL A 106 3.924 -11.355 0.589 1.00 13.31 C ATOM 1694 C VAL A 106 4.007 -10.887 2.060 1.00 12.50 C ATOM 1695 O VAL A 106 4.808 -10.010 2.389 1.00 61.14 O ATOM 1696 CB VAL A 106 2.837 -10.541 -0.210 1.00 13.41 C ATOM 1697 CG1 VAL A 106 3.053 -9.018 -0.115 1.00 71.21 C ATOM 1698 CG2 VAL A 106 2.794 -10.981 -1.692 1.00 52.24 C ATOM 0 H VAL A 106 2.660 -12.998 0.269 1.00 10.42 H new ATOM 0 HA VAL A 106 4.892 -11.171 0.124 1.00 13.31 H new ATOM 0 HB VAL A 106 1.877 -10.765 0.256 1.00 13.41 H new ATOM 0 HG11 VAL A 106 2.277 -8.504 -0.683 1.00 71.21 H new ATOM 0 HG12 VAL A 106 3.004 -8.708 0.929 1.00 71.21 H new ATOM 0 HG13 VAL A 106 4.031 -8.763 -0.524 1.00 71.21 H new ATOM 0 HG21 VAL A 106 2.036 -10.404 -2.221 1.00 52.24 H new ATOM 0 HG22 VAL A 106 3.767 -10.808 -2.151 1.00 52.24 H new ATOM 0 HG23 VAL A 106 2.549 -12.041 -1.750 1.00 52.24 H new ATOM 1708 N TYR A 107 3.178 -11.505 2.935 1.00 3.23 N ATOM 1709 CA TYR A 107 3.204 -11.259 4.388 1.00 65.32 C ATOM 1710 C TYR A 107 4.539 -11.727 4.986 1.00 21.44 C ATOM 1711 O TYR A 107 5.120 -11.030 5.816 1.00 45.53 O ATOM 1712 CB TYR A 107 2.032 -11.972 5.116 1.00 75.45 C ATOM 1713 CG TYR A 107 0.636 -11.365 4.873 1.00 52.12 C ATOM 1714 CD1 TYR A 107 0.374 -10.021 5.149 1.00 21.22 C ATOM 1715 CD2 TYR A 107 -0.423 -12.140 4.414 1.00 25.32 C ATOM 1716 CE1 TYR A 107 -0.889 -9.479 4.981 1.00 42.15 C ATOM 1717 CE2 TYR A 107 -1.676 -11.606 4.231 1.00 71.14 C ATOM 1718 CZ TYR A 107 -1.915 -10.277 4.517 1.00 72.23 C ATOM 1719 OH TYR A 107 -3.179 -9.749 4.339 1.00 12.32 O ATOM 0 H TYR A 107 2.475 -12.186 2.649 1.00 3.23 H new ATOM 0 HA TYR A 107 3.092 -10.185 4.535 1.00 65.32 H new ATOM 0 HB2 TYR A 107 2.015 -13.016 4.804 1.00 75.45 H new ATOM 0 HB3 TYR A 107 2.232 -11.962 6.187 1.00 75.45 H new ATOM 0 HD1 TYR A 107 1.176 -9.389 5.502 1.00 21.22 H new ATOM 0 HD2 TYR A 107 -0.257 -13.185 4.196 1.00 25.32 H new ATOM 0 HE1 TYR A 107 -1.070 -8.439 5.211 1.00 42.15 H new ATOM 0 HE2 TYR A 107 -2.477 -12.229 3.862 1.00 71.14 H new ATOM 0 HH TYR A 107 -3.812 -10.473 4.151 1.00 12.32 H new ATOM 1729 N GLN A 108 5.010 -12.914 4.537 1.00 72.43 N ATOM 1730 CA GLN A 108 6.285 -13.507 4.985 1.00 52.21 C ATOM 1731 C GLN A 108 7.434 -12.557 4.609 1.00 51.22 C ATOM 1732 O GLN A 108 8.271 -12.233 5.450 1.00 33.35 O ATOM 1733 CB GLN A 108 6.481 -14.923 4.343 1.00 64.43 C ATOM 1734 CG GLN A 108 7.519 -15.858 5.026 1.00 0.51 C ATOM 1735 CD GLN A 108 8.992 -15.543 4.703 1.00 55.44 C ATOM 1736 OE1 GLN A 108 9.593 -14.653 5.473 1.00 41.05 O flip ATOM 1737 NE2 GLN A 108 9.575 -16.089 3.766 1.00 11.42 N flip ATOM 0 H GLN A 108 4.514 -13.485 3.853 1.00 72.43 H new ATOM 0 HA GLN A 108 6.275 -13.638 6.067 1.00 52.21 H new ATOM 0 HB2 GLN A 108 5.517 -15.431 4.337 1.00 64.43 H new ATOM 0 HB3 GLN A 108 6.777 -14.788 3.303 1.00 64.43 H new ATOM 0 HG2 GLN A 108 7.380 -15.803 6.106 1.00 0.51 H new ATOM 0 HG3 GLN A 108 7.310 -16.886 4.730 1.00 0.51 H new ATOM 0 HE21 GLN A 108 9.085 -16.772 3.189 1.00 11.42 H new ATOM 0 HE22 GLN A 108 10.548 -15.858 3.567 1.00 11.42 H new ATOM 1746 N LYS A 109 7.424 -12.099 3.340 1.00 3.02 N ATOM 1747 CA LYS A 109 8.439 -11.178 2.804 1.00 61.12 C ATOM 1748 C LYS A 109 8.440 -9.849 3.574 1.00 63.34 C ATOM 1749 O LYS A 109 9.504 -9.346 3.894 1.00 11.21 O ATOM 1750 CB LYS A 109 8.223 -10.932 1.284 1.00 13.25 C ATOM 1751 CG LYS A 109 8.354 -12.199 0.409 1.00 75.52 C ATOM 1752 CD LYS A 109 9.767 -12.834 0.431 1.00 12.11 C ATOM 1753 CE LYS A 109 10.848 -11.931 -0.190 1.00 23.24 C ATOM 1754 NZ LYS A 109 12.158 -12.624 -0.250 1.00 32.03 N ATOM 0 H LYS A 109 6.710 -12.360 2.660 1.00 3.02 H new ATOM 0 HA LYS A 109 9.414 -11.646 2.936 1.00 61.12 H new ATOM 0 HB2 LYS A 109 7.232 -10.503 1.135 1.00 13.25 H new ATOM 0 HB3 LYS A 109 8.946 -10.192 0.941 1.00 13.25 H new ATOM 0 HG2 LYS A 109 7.629 -12.939 0.747 1.00 75.52 H new ATOM 0 HG3 LYS A 109 8.096 -11.947 -0.619 1.00 75.52 H new ATOM 0 HD2 LYS A 109 10.040 -13.061 1.462 1.00 12.11 H new ATOM 0 HD3 LYS A 109 9.741 -13.781 -0.108 1.00 12.11 H new ATOM 0 HE2 LYS A 109 10.545 -11.634 -1.194 1.00 23.24 H new ATOM 0 HE3 LYS A 109 10.944 -11.018 0.397 1.00 23.24 H new ATOM 0 HZ1 LYS A 109 12.867 -11.991 -0.673 1.00 32.03 H new ATOM 0 HZ2 LYS A 109 12.457 -12.885 0.711 1.00 32.03 H new ATOM 0 HZ3 LYS A 109 12.070 -13.482 -0.830 1.00 32.03 H new ATOM 1768 N ALA A 110 7.238 -9.329 3.894 1.00 41.33 N ATOM 1769 CA ALA A 110 7.056 -8.076 4.655 1.00 72.44 C ATOM 1770 C ALA A 110 7.669 -8.184 6.072 1.00 14.31 C ATOM 1771 O ALA A 110 8.398 -7.286 6.518 1.00 44.23 O ATOM 1772 CB ALA A 110 5.560 -7.723 4.716 1.00 53.33 C ATOM 0 H ALA A 110 6.358 -9.771 3.629 1.00 41.33 H new ATOM 0 HA ALA A 110 7.585 -7.273 4.142 1.00 72.44 H new ATOM 0 HB1 ALA A 110 5.427 -6.798 5.278 1.00 53.33 H new ATOM 0 HB2 ALA A 110 5.176 -7.592 3.705 1.00 53.33 H new ATOM 0 HB3 ALA A 110 5.016 -8.529 5.209 1.00 53.33 H new ATOM 1778 N LEU A 111 7.374 -9.310 6.752 1.00 63.50 N ATOM 1779 CA LEU A 111 7.951 -9.662 8.070 1.00 34.41 C ATOM 1780 C LEU A 111 9.484 -9.823 7.981 1.00 65.11 C ATOM 1781 O LEU A 111 10.216 -9.445 8.902 1.00 53.50 O ATOM 1782 CB LEU A 111 7.314 -10.988 8.574 1.00 21.04 C ATOM 1783 CG LEU A 111 5.801 -10.922 8.943 1.00 14.45 C ATOM 1784 CD1 LEU A 111 5.203 -12.331 9.136 1.00 73.24 C ATOM 1785 CD2 LEU A 111 5.584 -10.048 10.193 1.00 53.41 C ATOM 0 H LEU A 111 6.721 -10.010 6.400 1.00 63.50 H new ATOM 0 HA LEU A 111 7.734 -8.855 8.769 1.00 34.41 H new ATOM 0 HB2 LEU A 111 7.447 -11.748 7.804 1.00 21.04 H new ATOM 0 HB3 LEU A 111 7.867 -11.323 9.451 1.00 21.04 H new ATOM 0 HG LEU A 111 5.274 -10.459 8.109 1.00 14.45 H new ATOM 0 HD11 LEU A 111 4.147 -12.246 9.392 1.00 73.24 H new ATOM 0 HD12 LEU A 111 5.308 -12.900 8.212 1.00 73.24 H new ATOM 0 HD13 LEU A 111 5.731 -12.844 9.940 1.00 73.24 H new ATOM 0 HD21 LEU A 111 4.521 -10.015 10.434 1.00 53.41 H new ATOM 0 HD22 LEU A 111 6.133 -10.472 11.033 1.00 53.41 H new ATOM 0 HD23 LEU A 111 5.943 -9.038 9.997 1.00 53.41 H new ATOM 1797 N ASP A 112 9.935 -10.389 6.850 1.00 52.13 N ATOM 1798 CA ASP A 112 11.353 -10.685 6.579 1.00 2.34 C ATOM 1799 C ASP A 112 12.160 -9.385 6.379 1.00 12.33 C ATOM 1800 O ASP A 112 13.364 -9.350 6.661 1.00 53.34 O ATOM 1801 CB ASP A 112 11.450 -11.601 5.329 1.00 31.32 C ATOM 1802 CG ASP A 112 12.871 -12.101 5.029 1.00 25.31 C ATOM 1803 OD1 ASP A 112 13.270 -13.147 5.583 1.00 75.44 O ATOM 1804 OD2 ASP A 112 13.594 -11.458 4.238 1.00 44.41 O ATOM 0 H ASP A 112 9.316 -10.658 6.086 1.00 52.13 H new ATOM 0 HA ASP A 112 11.783 -11.203 7.436 1.00 2.34 H new ATOM 0 HB2 ASP A 112 10.796 -12.461 5.470 1.00 31.32 H new ATOM 0 HB3 ASP A 112 11.077 -11.056 4.462 1.00 31.32 H new ATOM 1809 N LEU A 113 11.474 -8.321 5.898 1.00 51.32 N ATOM 1810 CA LEU A 113 12.070 -6.982 5.725 1.00 31.22 C ATOM 1811 C LEU A 113 12.470 -6.404 7.087 1.00 65.22 C ATOM 1812 O LEU A 113 13.615 -5.970 7.281 1.00 41.34 O ATOM 1813 CB LEU A 113 11.067 -6.021 5.026 1.00 52.12 C ATOM 1814 CG LEU A 113 10.575 -6.461 3.620 1.00 45.43 C ATOM 1815 CD1 LEU A 113 9.508 -5.506 3.064 1.00 25.10 C ATOM 1816 CD2 LEU A 113 11.754 -6.638 2.645 1.00 33.24 C ATOM 0 H LEU A 113 10.494 -8.370 5.620 1.00 51.32 H new ATOM 0 HA LEU A 113 12.957 -7.081 5.099 1.00 31.22 H new ATOM 0 HB2 LEU A 113 10.198 -5.901 5.673 1.00 52.12 H new ATOM 0 HB3 LEU A 113 11.535 -5.041 4.936 1.00 52.12 H new ATOM 0 HG LEU A 113 10.097 -7.434 3.731 1.00 45.43 H new ATOM 0 HD11 LEU A 113 9.190 -5.849 2.079 1.00 25.10 H new ATOM 0 HD12 LEU A 113 8.650 -5.488 3.736 1.00 25.10 H new ATOM 0 HD13 LEU A 113 9.925 -4.502 2.981 1.00 25.10 H new ATOM 0 HD21 LEU A 113 11.377 -6.946 1.670 1.00 33.24 H new ATOM 0 HD22 LEU A 113 12.289 -5.693 2.545 1.00 33.24 H new ATOM 0 HD23 LEU A 113 12.432 -7.400 3.029 1.00 33.24 H new ATOM 1828 N ASP A 114 11.507 -6.427 8.024 1.00 43.11 N ATOM 1829 CA ASP A 114 11.688 -5.876 9.369 1.00 3.15 C ATOM 1830 C ASP A 114 10.597 -6.428 10.302 1.00 42.14 C ATOM 1831 O ASP A 114 9.422 -6.519 9.915 1.00 75.04 O ATOM 1832 CB ASP A 114 11.660 -4.331 9.324 1.00 71.31 C ATOM 1833 CG ASP A 114 12.037 -3.695 10.662 1.00 34.52 C ATOM 1834 OD1 ASP A 114 13.239 -3.500 10.921 1.00 43.41 O ATOM 1835 OD2 ASP A 114 11.143 -3.400 11.466 1.00 21.42 O ATOM 0 H ASP A 114 10.583 -6.829 7.866 1.00 43.11 H new ATOM 0 HA ASP A 114 12.660 -6.178 9.758 1.00 3.15 H new ATOM 0 HB2 ASP A 114 12.347 -3.982 8.554 1.00 71.31 H new ATOM 0 HB3 ASP A 114 10.663 -3.998 9.036 1.00 71.31 H new ATOM 1840 N SER A 115 10.998 -6.770 11.538 1.00 1.12 N ATOM 1841 CA SER A 115 10.123 -7.406 12.537 1.00 70.25 C ATOM 1842 C SER A 115 8.895 -6.529 12.876 1.00 33.42 C ATOM 1843 O SER A 115 7.795 -7.058 13.035 1.00 2.35 O ATOM 1844 CB SER A 115 10.937 -7.728 13.809 1.00 3.10 C ATOM 1845 OG SER A 115 12.059 -8.542 13.510 1.00 13.32 O ATOM 0 H SER A 115 11.948 -6.611 11.875 1.00 1.12 H new ATOM 0 HA SER A 115 9.739 -8.332 12.110 1.00 70.25 H new ATOM 0 HB2 SER A 115 11.271 -6.801 14.274 1.00 3.10 H new ATOM 0 HB3 SER A 115 10.299 -8.236 14.533 1.00 3.10 H new ATOM 0 HG SER A 115 12.557 -8.728 14.333 1.00 13.32 H new ATOM 1851 N SER A 116 9.074 -5.186 12.901 1.00 70.11 N ATOM 1852 CA SER A 116 7.991 -4.218 13.208 1.00 41.04 C ATOM 1853 C SER A 116 6.849 -4.252 12.156 1.00 41.51 C ATOM 1854 O SER A 116 5.814 -3.588 12.325 1.00 74.23 O ATOM 1855 CB SER A 116 8.585 -2.796 13.329 1.00 64.44 C ATOM 1856 OG SER A 116 7.606 -1.818 13.660 1.00 44.53 O ATOM 0 H SER A 116 9.972 -4.743 12.709 1.00 70.11 H new ATOM 0 HA SER A 116 7.544 -4.508 14.159 1.00 41.04 H new ATOM 0 HB2 SER A 116 9.365 -2.796 14.091 1.00 64.44 H new ATOM 0 HB3 SER A 116 9.060 -2.524 12.387 1.00 64.44 H new ATOM 0 HG SER A 116 6.718 -2.146 13.408 1.00 44.53 H new ATOM 1862 N CYS A 117 7.031 -5.055 11.091 1.00 13.33 N ATOM 1863 CA CYS A 117 5.969 -5.373 10.136 1.00 10.35 C ATOM 1864 C CYS A 117 5.006 -6.462 10.693 1.00 3.55 C ATOM 1865 O CYS A 117 4.253 -7.061 9.929 1.00 72.23 O ATOM 1866 CB CYS A 117 6.569 -5.811 8.790 1.00 31.20 C ATOM 1867 SG CYS A 117 5.343 -6.017 7.475 1.00 43.32 S ATOM 0 H CYS A 117 7.923 -5.499 10.874 1.00 13.33 H new ATOM 0 HA CYS A 117 5.382 -4.468 9.977 1.00 10.35 H new ATOM 0 HB2 CYS A 117 7.306 -5.073 8.474 1.00 31.20 H new ATOM 0 HB3 CYS A 117 7.100 -6.753 8.929 1.00 31.20 H new ATOM 0 HG CYS A 117 4.148 -5.936 7.980 1.00 43.32 H new ATOM 1873 N LYS A 118 5.067 -6.755 12.024 1.00 73.41 N ATOM 1874 CA LYS A 118 4.065 -7.628 12.726 1.00 21.30 C ATOM 1875 C LYS A 118 2.592 -7.283 12.382 1.00 25.24 C ATOM 1876 O LYS A 118 1.735 -8.154 12.459 1.00 23.31 O ATOM 1877 CB LYS A 118 4.246 -7.582 14.273 1.00 24.51 C ATOM 1878 CG LYS A 118 5.562 -8.183 14.817 1.00 63.13 C ATOM 1879 CD LYS A 118 5.804 -9.653 14.403 1.00 42.53 C ATOM 1880 CE LYS A 118 4.690 -10.608 14.874 1.00 30.23 C ATOM 1881 NZ LYS A 118 4.520 -10.602 16.355 1.00 32.55 N ATOM 0 H LYS A 118 5.800 -6.401 12.638 1.00 73.41 H new ATOM 0 HA LYS A 118 4.266 -8.634 12.359 1.00 21.30 H new ATOM 0 HB2 LYS A 118 4.183 -6.543 14.596 1.00 24.51 H new ATOM 0 HB3 LYS A 118 3.411 -8.110 14.733 1.00 24.51 H new ATOM 0 HG2 LYS A 118 6.397 -7.576 14.468 1.00 63.13 H new ATOM 0 HG3 LYS A 118 5.555 -8.120 15.905 1.00 63.13 H new ATOM 0 HD2 LYS A 118 5.887 -9.709 13.318 1.00 42.53 H new ATOM 0 HD3 LYS A 118 6.757 -9.987 14.813 1.00 42.53 H new ATOM 0 HE2 LYS A 118 3.749 -10.324 14.403 1.00 30.23 H new ATOM 0 HE3 LYS A 118 4.920 -11.621 14.542 1.00 30.23 H new ATOM 0 HZ1 LYS A 118 3.783 -11.285 16.623 1.00 32.55 H new ATOM 0 HZ2 LYS A 118 5.418 -10.866 16.809 1.00 32.55 H new ATOM 0 HZ3 LYS A 118 4.241 -9.651 16.669 1.00 32.55 H new ATOM 1895 N GLU A 119 2.331 -6.013 12.016 1.00 13.21 N ATOM 1896 CA GLU A 119 1.028 -5.536 11.474 1.00 63.34 C ATOM 1897 C GLU A 119 0.482 -6.465 10.345 1.00 53.04 C ATOM 1898 O GLU A 119 -0.724 -6.727 10.252 1.00 55.35 O ATOM 1899 CB GLU A 119 1.225 -4.089 10.937 1.00 43.10 C ATOM 1900 CG GLU A 119 2.338 -3.970 9.867 1.00 50.12 C ATOM 1901 CD GLU A 119 2.640 -2.536 9.422 1.00 61.34 C ATOM 1902 OE1 GLU A 119 3.334 -1.814 10.166 1.00 10.55 O ATOM 1903 OE2 GLU A 119 2.205 -2.124 8.322 1.00 12.13 O ATOM 0 H GLU A 119 3.027 -5.271 12.087 1.00 13.21 H new ATOM 0 HA GLU A 119 0.288 -5.552 12.274 1.00 63.34 H new ATOM 0 HB2 GLU A 119 0.285 -3.737 10.512 1.00 43.10 H new ATOM 0 HB3 GLU A 119 1.464 -3.430 11.772 1.00 43.10 H new ATOM 0 HG2 GLU A 119 3.252 -4.415 10.260 1.00 50.12 H new ATOM 0 HG3 GLU A 119 2.049 -4.555 8.994 1.00 50.12 H new ATOM 1910 N ALA A 120 1.412 -6.954 9.512 1.00 25.42 N ATOM 1911 CA ALA A 120 1.141 -7.861 8.397 1.00 61.54 C ATOM 1912 C ALA A 120 1.005 -9.322 8.882 1.00 41.43 C ATOM 1913 O ALA A 120 0.378 -10.140 8.207 1.00 15.10 O ATOM 1914 CB ALA A 120 2.264 -7.719 7.354 1.00 41.13 C ATOM 0 H ALA A 120 2.401 -6.720 9.602 1.00 25.42 H new ATOM 0 HA ALA A 120 0.189 -7.593 7.938 1.00 61.54 H new ATOM 0 HB1 ALA A 120 2.071 -8.391 6.518 1.00 41.13 H new ATOM 0 HB2 ALA A 120 2.297 -6.691 6.993 1.00 41.13 H new ATOM 0 HB3 ALA A 120 3.220 -7.974 7.812 1.00 41.13 H new ATOM 1920 N ALA A 121 1.585 -9.645 10.063 1.00 70.23 N ATOM 1921 CA ALA A 121 1.444 -10.986 10.671 1.00 15.01 C ATOM 1922 C ALA A 121 -0.008 -11.212 11.103 1.00 5.22 C ATOM 1923 O ALA A 121 -0.538 -12.303 10.926 1.00 3.25 O ATOM 1924 CB ALA A 121 2.406 -11.179 11.855 1.00 13.41 C ATOM 0 H ALA A 121 2.152 -8.997 10.610 1.00 70.23 H new ATOM 0 HA ALA A 121 1.710 -11.729 9.919 1.00 15.01 H new ATOM 0 HB1 ALA A 121 2.272 -12.176 12.274 1.00 13.41 H new ATOM 0 HB2 ALA A 121 3.434 -11.066 11.511 1.00 13.41 H new ATOM 0 HB3 ALA A 121 2.195 -10.432 12.621 1.00 13.41 H new ATOM 1930 N ASP A 122 -0.641 -10.157 11.648 1.00 3.14 N ATOM 1931 CA ASP A 122 -2.080 -10.159 11.977 1.00 42.55 C ATOM 1932 C ASP A 122 -2.922 -10.434 10.718 1.00 5.24 C ATOM 1933 O ASP A 122 -3.831 -11.272 10.741 1.00 62.32 O ATOM 1934 CB ASP A 122 -2.499 -8.806 12.613 1.00 74.20 C ATOM 1935 CG ASP A 122 -1.820 -8.536 13.966 1.00 54.41 C ATOM 1936 OD1 ASP A 122 -0.631 -8.177 13.976 1.00 30.52 O ATOM 1937 OD2 ASP A 122 -2.472 -8.673 15.027 1.00 22.13 O ATOM 0 H ASP A 122 -0.171 -9.280 11.873 1.00 3.14 H new ATOM 0 HA ASP A 122 -2.261 -10.954 12.700 1.00 42.55 H new ATOM 0 HB2 ASP A 122 -2.256 -7.997 11.924 1.00 74.20 H new ATOM 0 HB3 ASP A 122 -3.581 -8.795 12.748 1.00 74.20 H new ATOM 1942 N GLY A 123 -2.592 -9.720 9.622 1.00 12.40 N ATOM 1943 CA GLY A 123 -3.243 -9.913 8.326 1.00 20.35 C ATOM 1944 C GLY A 123 -3.073 -11.337 7.788 1.00 53.54 C ATOM 1945 O GLY A 123 -3.983 -11.880 7.148 1.00 31.32 O ATOM 0 H GLY A 123 -1.870 -8.999 9.618 1.00 12.40 H new ATOM 0 HA2 GLY A 123 -4.305 -9.689 8.420 1.00 20.35 H new ATOM 0 HA3 GLY A 123 -2.830 -9.205 7.607 1.00 20.35 H new ATOM 1949 N TYR A 124 -1.892 -11.938 8.065 1.00 12.53 N ATOM 1950 CA TYR A 124 -1.574 -13.330 7.706 1.00 13.30 C ATOM 1951 C TYR A 124 -2.516 -14.310 8.420 1.00 74.23 C ATOM 1952 O TYR A 124 -3.099 -15.173 7.759 1.00 64.43 O ATOM 1953 CB TYR A 124 -0.084 -13.656 8.035 1.00 53.01 C ATOM 1954 CG TYR A 124 0.300 -15.147 7.931 1.00 74.14 C ATOM 1955 CD1 TYR A 124 0.044 -15.884 6.770 1.00 5.42 C ATOM 1956 CD2 TYR A 124 0.900 -15.817 9.000 1.00 51.42 C ATOM 1957 CE1 TYR A 124 0.365 -17.225 6.691 1.00 31.13 C ATOM 1958 CE2 TYR A 124 1.227 -17.153 8.916 1.00 70.21 C ATOM 1959 CZ TYR A 124 0.957 -17.852 7.764 1.00 51.12 C ATOM 1960 OH TYR A 124 1.265 -19.190 7.689 1.00 34.34 O ATOM 0 H TYR A 124 -1.130 -11.462 8.548 1.00 12.53 H new ATOM 0 HA TYR A 124 -1.720 -13.445 6.632 1.00 13.30 H new ATOM 0 HB2 TYR A 124 0.554 -13.085 7.360 1.00 53.01 H new ATOM 0 HB3 TYR A 124 0.132 -13.311 9.046 1.00 53.01 H new ATOM 0 HD1 TYR A 124 -0.412 -15.396 5.921 1.00 5.42 H new ATOM 0 HD2 TYR A 124 1.112 -15.277 9.911 1.00 51.42 H new ATOM 0 HE1 TYR A 124 0.152 -17.780 5.790 1.00 31.13 H new ATOM 0 HE2 TYR A 124 1.694 -17.650 9.753 1.00 70.21 H new ATOM 0 HH TYR A 124 1.678 -19.478 8.530 1.00 34.34 H new ATOM 1970 N GLN A 125 -2.651 -14.153 9.763 1.00 32.30 N ATOM 1971 CA GLN A 125 -3.492 -15.035 10.624 1.00 12.41 C ATOM 1972 C GLN A 125 -4.882 -15.280 10.014 1.00 0.24 C ATOM 1973 O GLN A 125 -5.390 -16.400 10.054 1.00 14.10 O ATOM 1974 CB GLN A 125 -3.664 -14.442 12.058 1.00 31.20 C ATOM 1975 CG GLN A 125 -2.371 -14.050 12.799 1.00 62.31 C ATOM 1976 CD GLN A 125 -1.296 -15.122 12.735 1.00 64.01 C ATOM 1977 OE1 GLN A 125 -1.203 -15.995 13.595 1.00 75.41 O ATOM 1978 NE2 GLN A 125 -0.484 -15.058 11.699 1.00 24.51 N ATOM 0 H GLN A 125 -2.181 -13.412 10.282 1.00 32.30 H new ATOM 0 HA GLN A 125 -2.964 -15.986 10.689 1.00 12.41 H new ATOM 0 HB2 GLN A 125 -4.298 -13.558 11.988 1.00 31.20 H new ATOM 0 HB3 GLN A 125 -4.199 -15.171 12.667 1.00 31.20 H new ATOM 0 HG2 GLN A 125 -1.980 -13.127 12.371 1.00 62.31 H new ATOM 0 HG3 GLN A 125 -2.607 -13.843 13.843 1.00 62.31 H new ATOM 0 HE21 GLN A 125 -0.596 -14.316 11.008 1.00 24.51 H new ATOM 0 HE22 GLN A 125 0.257 -15.750 11.588 1.00 24.51 H new ATOM 1987 N ARG A 126 -5.457 -14.213 9.425 1.00 33.44 N ATOM 1988 CA ARG A 126 -6.770 -14.268 8.780 1.00 63.43 C ATOM 1989 C ARG A 126 -6.695 -15.000 7.421 1.00 10.51 C ATOM 1990 O ARG A 126 -7.574 -15.799 7.126 1.00 0.32 O ATOM 1991 CB ARG A 126 -7.348 -12.839 8.608 1.00 33.24 C ATOM 1992 CG ARG A 126 -8.802 -12.790 8.077 1.00 1.04 C ATOM 1993 CD ARG A 126 -9.381 -11.367 8.060 1.00 64.53 C ATOM 1994 NE ARG A 126 -8.571 -10.454 7.238 1.00 44.32 N ATOM 1995 CZ ARG A 126 -8.253 -9.193 7.543 1.00 34.13 C ATOM 1996 NH1 ARG A 126 -8.699 -8.628 8.655 1.00 13.34 N ATOM 1997 NH2 ARG A 126 -7.505 -8.503 6.699 1.00 72.54 N ATOM 0 H ARG A 126 -5.019 -13.293 9.387 1.00 33.44 H new ATOM 0 HA ARG A 126 -7.441 -14.836 9.424 1.00 63.43 H new ATOM 0 HB2 ARG A 126 -7.309 -12.328 9.570 1.00 33.24 H new ATOM 0 HB3 ARG A 126 -6.707 -12.282 7.925 1.00 33.24 H new ATOM 0 HG2 ARG A 126 -8.830 -13.201 7.068 1.00 1.04 H new ATOM 0 HG3 ARG A 126 -9.432 -13.427 8.698 1.00 1.04 H new ATOM 0 HD2 ARG A 126 -10.400 -11.395 7.675 1.00 64.53 H new ATOM 0 HD3 ARG A 126 -9.436 -10.985 9.080 1.00 64.53 H new ATOM 0 HE ARG A 126 -8.219 -10.818 6.352 1.00 44.32 H new ATOM 0 HH11 ARG A 126 -9.294 -9.157 9.293 1.00 13.34 H new ATOM 0 HH12 ARG A 126 -8.447 -7.664 8.874 1.00 13.34 H new ATOM 0 HH21 ARG A 126 -7.182 -8.935 5.833 1.00 72.54 H new ATOM 0 HH22 ARG A 126 -7.251 -7.539 6.913 1.00 72.54 H new ATOM 2011 N CYS A 127 -5.620 -14.759 6.630 1.00 55.41 N ATOM 2012 CA CYS A 127 -5.492 -15.307 5.254 1.00 63.40 C ATOM 2013 C CYS A 127 -5.321 -16.837 5.260 1.00 72.15 C ATOM 2014 O CYS A 127 -5.945 -17.550 4.463 1.00 64.14 O ATOM 2015 CB CYS A 127 -4.304 -14.659 4.515 1.00 71.32 C ATOM 2016 SG CYS A 127 -4.503 -12.897 4.210 1.00 3.21 S ATOM 0 H CYS A 127 -4.827 -14.188 6.921 1.00 55.41 H new ATOM 0 HA CYS A 127 -6.418 -15.069 4.730 1.00 63.40 H new ATOM 0 HB2 CYS A 127 -3.397 -14.816 5.099 1.00 71.32 H new ATOM 0 HB3 CYS A 127 -4.161 -15.168 3.562 1.00 71.32 H new ATOM 0 HG CYS A 127 -3.563 -12.242 4.823 1.00 3.21 H new ATOM 2022 N MET A 128 -4.458 -17.329 6.168 1.00 42.43 N ATOM 2023 CA MET A 128 -4.198 -18.766 6.322 1.00 61.34 C ATOM 2024 C MET A 128 -5.459 -19.501 6.826 1.00 70.12 C ATOM 2025 O MET A 128 -5.837 -20.529 6.262 1.00 22.13 O ATOM 2026 CB MET A 128 -2.985 -19.022 7.254 1.00 44.41 C ATOM 2027 CG MET A 128 -3.070 -18.358 8.637 1.00 53.43 C ATOM 2028 SD MET A 128 -1.741 -18.861 9.740 1.00 71.32 S ATOM 2029 CE MET A 128 -2.098 -20.605 9.921 1.00 63.50 C ATOM 0 H MET A 128 -3.926 -16.742 6.811 1.00 42.43 H new ATOM 0 HA MET A 128 -3.946 -19.169 5.341 1.00 61.34 H new ATOM 0 HB2 MET A 128 -2.874 -20.098 7.391 1.00 44.41 H new ATOM 0 HB3 MET A 128 -2.083 -18.669 6.754 1.00 44.41 H new ATOM 0 HG2 MET A 128 -3.044 -17.275 8.516 1.00 53.43 H new ATOM 0 HG3 MET A 128 -4.028 -18.605 9.095 1.00 53.43 H new ATOM 0 HE1 MET A 128 -1.687 -20.965 10.864 1.00 63.50 H new ATOM 0 HE2 MET A 128 -3.177 -20.758 9.914 1.00 63.50 H new ATOM 0 HE3 MET A 128 -1.648 -21.156 9.095 1.00 63.50 H new ATOM 2039 N MET A 129 -6.143 -18.940 7.855 1.00 45.44 N ATOM 2040 CA MET A 129 -7.360 -19.565 8.412 1.00 70.10 C ATOM 2041 C MET A 129 -8.565 -19.389 7.459 1.00 41.51 C ATOM 2042 O MET A 129 -9.572 -20.051 7.639 1.00 45.20 O ATOM 2043 CB MET A 129 -7.731 -19.000 9.816 1.00 53.22 C ATOM 2044 CG MET A 129 -8.331 -17.582 9.825 1.00 54.43 C ATOM 2045 SD MET A 129 -9.053 -17.119 11.419 1.00 14.43 S ATOM 2046 CE MET A 129 -10.437 -18.263 11.548 1.00 63.43 C ATOM 0 H MET A 129 -5.873 -18.067 8.308 1.00 45.44 H new ATOM 0 HA MET A 129 -7.132 -20.625 8.521 1.00 70.10 H new ATOM 0 HB2 MET A 129 -8.443 -19.679 10.285 1.00 53.22 H new ATOM 0 HB3 MET A 129 -6.835 -19.000 10.436 1.00 53.22 H new ATOM 0 HG2 MET A 129 -7.553 -16.864 9.564 1.00 54.43 H new ATOM 0 HG3 MET A 129 -9.098 -17.515 9.053 1.00 54.43 H new ATOM 0 HE1 MET A 129 -11.245 -17.795 12.110 1.00 63.43 H new ATOM 0 HE2 MET A 129 -10.791 -18.520 10.550 1.00 63.43 H new ATOM 0 HE3 MET A 129 -10.114 -19.168 12.063 1.00 63.43 H new ATOM 2056 N ALA A 130 -8.459 -18.460 6.481 1.00 33.33 N ATOM 2057 CA ALA A 130 -9.549 -18.150 5.529 1.00 44.31 C ATOM 2058 C ALA A 130 -9.764 -19.285 4.521 1.00 12.40 C ATOM 2059 O ALA A 130 -10.903 -19.564 4.127 1.00 33.45 O ATOM 2060 CB ALA A 130 -9.259 -16.844 4.788 1.00 51.52 C ATOM 0 H ALA A 130 -7.616 -17.905 6.330 1.00 33.33 H new ATOM 0 HA ALA A 130 -10.464 -18.038 6.110 1.00 44.31 H new ATOM 0 HB1 ALA A 130 -10.071 -16.632 4.092 1.00 51.52 H new ATOM 0 HB2 ALA A 130 -9.175 -16.029 5.507 1.00 51.52 H new ATOM 0 HB3 ALA A 130 -8.324 -16.939 4.236 1.00 51.52 H new ATOM 2066 N GLN A 131 -8.661 -19.906 4.074 1.00 14.21 N ATOM 2067 CA GLN A 131 -8.723 -21.097 3.207 1.00 42.13 C ATOM 2068 C GLN A 131 -8.934 -22.374 4.046 1.00 73.42 C ATOM 2069 O GLN A 131 -9.500 -23.352 3.555 1.00 42.41 O ATOM 2070 CB GLN A 131 -7.460 -21.218 2.313 1.00 32.55 C ATOM 2071 CG GLN A 131 -6.123 -21.152 3.065 1.00 53.51 C ATOM 2072 CD GLN A 131 -4.914 -21.433 2.180 1.00 33.11 C ATOM 2073 OE1 GLN A 131 -5.017 -22.089 1.147 1.00 25.51 O ATOM 2074 NE2 GLN A 131 -3.749 -21.022 2.627 1.00 24.41 N ATOM 0 H GLN A 131 -7.713 -19.604 4.298 1.00 14.21 H new ATOM 0 HA GLN A 131 -9.580 -20.980 2.544 1.00 42.13 H new ATOM 0 HB2 GLN A 131 -7.507 -22.161 1.769 1.00 32.55 H new ATOM 0 HB3 GLN A 131 -7.481 -20.421 1.570 1.00 32.55 H new ATOM 0 HG2 GLN A 131 -6.015 -20.164 3.512 1.00 53.51 H new ATOM 0 HG3 GLN A 131 -6.139 -21.872 3.884 1.00 53.51 H new ATOM 0 HE21 GLN A 131 -3.696 -20.479 3.489 1.00 24.41 H new ATOM 0 HE22 GLN A 131 -2.897 -21.246 2.112 1.00 24.41 H new ATOM 2083 N TYR A 132 -8.479 -22.356 5.320 1.00 33.13 N ATOM 2084 CA TYR A 132 -8.646 -23.497 6.257 1.00 13.41 C ATOM 2085 C TYR A 132 -9.835 -23.208 7.196 1.00 32.13 C ATOM 2086 O TYR A 132 -9.810 -23.561 8.379 1.00 65.44 O ATOM 2087 CB TYR A 132 -7.331 -23.712 7.084 1.00 34.41 C ATOM 2088 CG TYR A 132 -6.019 -23.810 6.273 1.00 43.42 C ATOM 2089 CD1 TYR A 132 -6.000 -24.251 4.941 1.00 62.31 C ATOM 2090 CD2 TYR A 132 -4.796 -23.432 6.843 1.00 62.12 C ATOM 2091 CE1 TYR A 132 -4.825 -24.306 4.220 1.00 71.35 C ATOM 2092 CE2 TYR A 132 -3.619 -23.493 6.123 1.00 61.13 C ATOM 2093 CZ TYR A 132 -3.638 -23.928 4.810 1.00 74.22 C ATOM 2094 OH TYR A 132 -2.463 -23.979 4.090 1.00 44.33 O ATOM 0 H TYR A 132 -7.990 -21.559 5.727 1.00 33.13 H new ATOM 0 HA TYR A 132 -8.847 -24.408 5.694 1.00 13.41 H new ATOM 0 HB2 TYR A 132 -7.234 -22.889 7.792 1.00 34.41 H new ATOM 0 HB3 TYR A 132 -7.440 -24.625 7.669 1.00 34.41 H new ATOM 0 HD1 TYR A 132 -6.924 -24.554 4.471 1.00 62.31 H new ATOM 0 HD2 TYR A 132 -4.773 -23.086 7.866 1.00 62.12 H new ATOM 0 HE1 TYR A 132 -4.835 -24.645 3.195 1.00 71.35 H new ATOM 0 HE2 TYR A 132 -2.687 -23.202 6.584 1.00 61.13 H new ATOM 0 HH TYR A 132 -1.720 -23.678 4.654 1.00 44.33 H new ATOM 2104 N ASN A 133 -10.892 -22.582 6.653 1.00 22.43 N ATOM 2105 CA ASN A 133 -12.006 -22.042 7.454 1.00 11.23 C ATOM 2106 C ASN A 133 -13.118 -23.101 7.626 1.00 23.01 C ATOM 2107 O ASN A 133 -13.916 -23.301 6.684 1.00 62.43 O ATOM 2108 CB ASN A 133 -12.528 -20.735 6.785 1.00 62.43 C ATOM 2109 CG ASN A 133 -13.213 -19.799 7.769 1.00 24.24 C ATOM 2110 OD1 ASN A 133 -14.421 -19.842 7.959 1.00 41.23 O ATOM 2111 ND2 ASN A 133 -12.425 -18.956 8.419 1.00 44.13 N ATOM 2112 OXT ASN A 133 -13.183 -23.743 8.696 1.00 38.23 O ATOM 0 H ASN A 133 -11.000 -22.436 5.649 1.00 22.43 H new ATOM 0 HA ASN A 133 -11.658 -21.794 8.457 1.00 11.23 H new ATOM 0 HB2 ASN A 133 -11.693 -20.214 6.317 1.00 62.43 H new ATOM 0 HB3 ASN A 133 -13.228 -20.994 5.990 1.00 62.43 H new ATOM 0 HD21 ASN A 133 -12.821 -18.313 9.105 1.00 44.13 H new ATOM 0 HD22 ASN A 133 -11.422 -18.949 8.234 1.00 44.13 H new TER 2119 ASN A 133