USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 971 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 61 ASN : amide:sc= -1.58 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 66 THR OG1 : rot 141:sc= 0.152 USER MOD Single : A 1 GLY N :NH3+ -133:sc= -0.0856 (180deg=-1.14) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 15 CYS SG : rot -150:sc= -0.321 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 18 MET CE :methyl 158:sc= -1.27 (180deg=-2.35!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-2.3!) USER MOD Single : A 32 TYR OH : rot 110:sc= -0.307 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.13) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.117 (180deg=-0.594) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.177 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.0921 (180deg=-0.518) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.971 K(o=-0.97,f=-2.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 139:sc= -2.01 (180deg=-7.17!) USER MOD Single : A 90 GLN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -170:sc= -0.0262 (180deg=-0.242) USER MOD Single : A 95 LYS NZ :NH3+ -166:sc=-0.000972 (180deg=-0.0908) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0217 (180deg=-0.235) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.21) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 142:sc= -0.407 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.466 6.127 -27.258 1.00 42.31 N ATOM 2 CA GLY A 1 -0.037 6.251 -25.903 1.00 53.12 C ATOM 3 C GLY A 1 0.919 5.680 -24.875 1.00 15.32 C ATOM 4 O GLY A 1 0.668 4.635 -24.274 1.00 30.13 O ATOM 0 H1 GLY A 1 0.352 7.033 -27.755 1.00 42.31 H new ATOM 0 H2 GLY A 1 1.474 5.871 -27.232 1.00 42.31 H new ATOM 0 H3 GLY A 1 -0.067 5.388 -27.760 1.00 42.31 H new ATOM 0 HA2 GLY A 1 -0.219 7.303 -25.681 1.00 53.12 H new ATOM 0 HA3 GLY A 1 -0.996 5.739 -25.827 1.00 53.12 H new ATOM 8 N PRO A 2 2.046 6.374 -24.660 1.00 31.21 N ATOM 9 CA PRO A 2 3.067 5.949 -23.698 1.00 52.14 C ATOM 10 C PRO A 2 2.594 6.082 -22.254 1.00 61.23 C ATOM 11 O PRO A 2 1.679 6.849 -21.960 1.00 11.13 O ATOM 12 CB PRO A 2 4.231 6.905 -23.970 1.00 12.20 C ATOM 13 CG PRO A 2 3.597 8.118 -24.555 1.00 2.10 C ATOM 14 CD PRO A 2 2.411 7.628 -25.340 1.00 41.33 C ATOM 0 HA PRO A 2 3.326 4.897 -23.816 1.00 52.14 H new ATOM 0 HB2 PRO A 2 4.770 7.143 -23.053 1.00 12.20 H new ATOM 0 HB3 PRO A 2 4.952 6.464 -24.658 1.00 12.20 H new ATOM 0 HG2 PRO A 2 3.288 8.812 -23.774 1.00 2.10 H new ATOM 0 HG3 PRO A 2 4.297 8.653 -25.198 1.00 2.10 H new ATOM 0 HD2 PRO A 2 1.592 8.348 -25.322 1.00 41.33 H new ATOM 0 HD3 PRO A 2 2.664 7.459 -26.387 1.00 41.33 H new ATOM 22 N GLY A 3 3.225 5.331 -21.358 1.00 13.22 N ATOM 23 CA GLY A 3 2.856 5.380 -19.956 1.00 45.42 C ATOM 24 C GLY A 3 3.867 4.688 -19.064 1.00 62.35 C ATOM 25 O GLY A 3 3.968 3.461 -19.064 1.00 22.31 O ATOM 0 H GLY A 3 3.986 4.689 -21.578 1.00 13.22 H new ATOM 0 HA2 GLY A 3 2.756 6.420 -19.646 1.00 45.42 H new ATOM 0 HA3 GLY A 3 1.880 4.913 -19.824 1.00 45.42 H new ATOM 29 N SER A 4 4.619 5.476 -18.301 1.00 25.24 N ATOM 30 CA SER A 4 5.632 4.932 -17.405 1.00 42.22 C ATOM 31 C SER A 4 5.023 4.571 -16.053 1.00 24.33 C ATOM 32 O SER A 4 5.463 3.629 -15.395 1.00 52.03 O ATOM 33 CB SER A 4 6.768 5.939 -17.213 1.00 72.23 C ATOM 34 OG SER A 4 6.384 6.976 -16.326 1.00 52.43 O ATOM 0 H SER A 4 4.545 6.493 -18.286 1.00 25.24 H new ATOM 0 HA SER A 4 6.033 4.025 -17.858 1.00 42.22 H new ATOM 0 HB2 SER A 4 7.648 5.429 -16.822 1.00 72.23 H new ATOM 0 HB3 SER A 4 7.048 6.365 -18.177 1.00 72.23 H new ATOM 0 HG SER A 4 7.127 7.606 -16.218 1.00 52.43 H new ATOM 40 N MET A 5 4.007 5.326 -15.648 1.00 41.54 N ATOM 41 CA MET A 5 3.337 5.085 -14.376 1.00 62.03 C ATOM 42 C MET A 5 2.430 3.861 -14.463 1.00 45.23 C ATOM 43 O MET A 5 2.288 3.112 -13.496 1.00 4.24 O ATOM 44 CB MET A 5 2.520 6.312 -13.964 1.00 51.55 C ATOM 45 CG MET A 5 3.341 7.589 -13.886 1.00 30.02 C ATOM 46 SD MET A 5 2.664 8.778 -12.712 1.00 52.10 S ATOM 47 CE MET A 5 3.619 8.389 -11.248 1.00 3.41 C ATOM 0 H MET A 5 3.630 6.109 -16.182 1.00 41.54 H new ATOM 0 HA MET A 5 4.101 4.897 -13.621 1.00 62.03 H new ATOM 0 HB2 MET A 5 1.708 6.454 -14.677 1.00 51.55 H new ATOM 0 HB3 MET A 5 2.062 6.124 -12.993 1.00 51.55 H new ATOM 0 HG2 MET A 5 4.363 7.342 -13.599 1.00 30.02 H new ATOM 0 HG3 MET A 5 3.389 8.047 -14.874 1.00 30.02 H new ATOM 0 HE1 MET A 5 3.315 9.043 -10.431 1.00 3.41 H new ATOM 0 HE2 MET A 5 3.445 7.351 -10.966 1.00 3.41 H new ATOM 0 HE3 MET A 5 4.679 8.536 -11.455 1.00 3.41 H new ATOM 57 N SER A 6 1.816 3.666 -15.626 1.00 44.34 N ATOM 58 CA SER A 6 0.920 2.536 -15.837 1.00 64.43 C ATOM 59 C SER A 6 1.495 1.571 -16.870 1.00 62.14 C ATOM 60 O SER A 6 2.558 1.815 -17.441 1.00 73.31 O ATOM 61 CB SER A 6 -0.456 3.027 -16.292 1.00 31.11 C ATOM 62 OG SER A 6 -0.422 3.462 -17.639 1.00 14.24 O ATOM 0 H SER A 6 1.923 4.276 -16.436 1.00 44.34 H new ATOM 0 HA SER A 6 0.815 2.006 -14.890 1.00 64.43 H new ATOM 0 HB2 SER A 6 -1.186 2.225 -16.184 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.784 3.845 -15.651 1.00 31.11 H new ATOM 0 HG SER A 6 -1.313 3.769 -17.906 1.00 14.24 H new ATOM 68 N VAL A 7 0.784 0.472 -17.104 1.00 10.34 N ATOM 69 CA VAL A 7 1.222 -0.529 -18.069 1.00 2.44 C ATOM 70 C VAL A 7 0.141 -0.798 -19.110 1.00 5.32 C ATOM 71 O VAL A 7 -1.047 -0.851 -18.790 1.00 24.25 O ATOM 72 CB VAL A 7 1.591 -1.853 -17.374 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.129 -2.855 -18.384 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.601 -1.608 -16.264 1.00 43.52 C ATOM 0 H VAL A 7 -0.097 0.253 -16.639 1.00 10.34 H new ATOM 0 HA VAL A 7 2.107 -0.128 -18.564 1.00 2.44 H new ATOM 0 HB VAL A 7 0.689 -2.272 -16.928 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.384 -3.784 -17.874 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.369 -3.053 -19.140 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.019 -2.447 -18.862 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.850 -2.554 -15.784 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.504 -1.166 -16.685 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.174 -0.928 -15.527 1.00 43.52 H new ATOM 84 N THR A 8 0.561 -0.969 -20.360 1.00 15.13 N ATOM 85 CA THR A 8 -0.370 -1.233 -21.449 1.00 55.12 C ATOM 86 C THR A 8 0.019 -2.494 -22.213 1.00 32.31 C ATOM 87 O THR A 8 1.191 -2.703 -22.529 1.00 11.22 O ATOM 88 CB THR A 8 -0.432 -0.050 -22.434 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.196 1.179 -21.738 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.786 0.006 -23.128 1.00 55.11 C ATOM 0 H THR A 8 1.540 -0.929 -20.643 1.00 15.13 H new ATOM 0 HA THR A 8 -1.352 -1.373 -20.997 1.00 55.12 H new ATOM 0 HB THR A 8 0.340 -0.194 -23.190 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.235 1.926 -22.371 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.806 0.849 -23.819 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.950 -0.919 -23.680 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.572 0.128 -22.383 1.00 55.11 H new ATOM 98 N ILE A 9 -0.971 -3.332 -22.505 1.00 40.31 N ATOM 99 CA ILE A 9 -0.731 -4.572 -23.232 1.00 3.44 C ATOM 100 C ILE A 9 -1.416 -4.551 -24.594 1.00 62.44 C ATOM 101 O ILE A 9 -2.515 -4.017 -24.739 1.00 5.32 O ATOM 102 CB ILE A 9 -1.227 -5.795 -22.439 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.034 -7.074 -23.258 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.689 -5.620 -22.056 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.306 -8.339 -22.474 1.00 32.30 C ATOM 0 H ILE A 9 -1.946 -3.174 -22.249 1.00 40.31 H new ATOM 0 HA ILE A 9 0.347 -4.653 -23.371 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.640 -5.880 -21.525 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.694 -7.044 -24.125 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.012 -7.103 -23.636 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.025 -6.493 -21.496 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.799 -4.728 -21.439 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.291 -5.514 -22.958 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.150 -9.206 -23.116 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.628 -8.392 -21.622 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.336 -8.332 -22.118 1.00 32.30 H new ATOM 117 N TYR A 10 -0.759 -5.137 -25.589 1.00 4.54 N ATOM 118 CA TYR A 10 -1.305 -5.186 -26.941 1.00 30.24 C ATOM 119 C TYR A 10 -1.672 -6.615 -27.329 1.00 22.21 C ATOM 120 O TYR A 10 -0.838 -7.519 -27.277 1.00 41.11 O ATOM 121 CB TYR A 10 -0.297 -4.617 -27.941 1.00 22.32 C ATOM 122 CG TYR A 10 -0.262 -3.106 -27.972 1.00 34.41 C ATOM 123 CD1 TYR A 10 -1.117 -2.388 -28.799 1.00 54.11 C ATOM 124 CD2 TYR A 10 0.628 -2.395 -27.175 1.00 15.21 C ATOM 125 CE1 TYR A 10 -1.088 -1.008 -28.832 1.00 20.31 C ATOM 126 CE2 TYR A 10 0.663 -1.014 -27.200 1.00 22.30 C ATOM 127 CZ TYR A 10 -0.197 -0.326 -28.030 1.00 60.44 C ATOM 128 OH TYR A 10 -0.165 1.050 -28.059 1.00 41.33 O ATOM 0 H TYR A 10 0.152 -5.584 -25.485 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.210 -4.579 -26.962 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.697 -4.990 -27.694 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.538 -4.987 -28.938 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -1.817 -2.919 -29.427 1.00 54.11 H new ATOM 0 HD2 TYR A 10 1.304 -2.931 -26.525 1.00 15.21 H new ATOM 0 HE1 TYR A 10 -1.759 -0.466 -29.482 1.00 20.31 H new ATOM 0 HE2 TYR A 10 1.360 -0.477 -26.573 1.00 22.30 H new ATOM 0 HH TYR A 10 0.517 1.375 -27.435 1.00 41.33 H new ATOM 138 N GLY A 11 -2.927 -6.811 -27.719 1.00 41.24 N ATOM 139 CA GLY A 11 -3.385 -8.131 -28.112 1.00 3.41 C ATOM 140 C GLY A 11 -4.549 -8.078 -29.080 1.00 42.14 C ATOM 141 O GLY A 11 -4.870 -7.017 -29.618 1.00 61.14 O ATOM 0 H GLY A 11 -3.636 -6.079 -27.770 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.560 -8.676 -28.571 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.681 -8.689 -27.223 1.00 3.41 H new ATOM 145 N ILE A 12 -5.183 -9.224 -29.305 1.00 0.23 N ATOM 146 CA ILE A 12 -6.319 -9.302 -30.215 1.00 21.20 C ATOM 147 C ILE A 12 -7.425 -10.181 -29.641 1.00 0.25 C ATOM 148 O ILE A 12 -7.271 -10.772 -28.573 1.00 72.24 O ATOM 149 CB ILE A 12 -5.900 -9.855 -31.591 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.417 -11.301 -31.457 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.816 -8.983 -32.204 1.00 63.31 C ATOM 152 CD1 ILE A 12 -5.021 -11.930 -32.775 1.00 42.40 C ATOM 0 H ILE A 12 -4.929 -10.111 -28.870 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.694 -8.286 -30.339 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.767 -9.841 -32.252 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.564 -11.329 -30.779 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -6.206 -11.899 -31.001 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.531 -9.386 -33.176 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -5.193 -7.968 -32.329 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.946 -8.969 -31.547 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.689 -12.954 -32.604 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.878 -11.934 -33.448 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.210 -11.356 -33.223 1.00 42.40 H new ATOM 164 N LYS A 13 -8.539 -10.265 -30.361 1.00 73.52 N ATOM 165 CA LYS A 13 -9.672 -11.075 -29.926 1.00 71.53 C ATOM 166 C LYS A 13 -9.566 -12.495 -30.472 1.00 42.41 C ATOM 167 O LYS A 13 -10.102 -13.435 -29.889 1.00 70.40 O ATOM 168 CB LYS A 13 -10.986 -10.437 -30.381 1.00 10.01 C ATOM 169 CG LYS A 13 -11.430 -9.272 -29.513 1.00 12.21 C ATOM 170 CD LYS A 13 -11.931 -9.746 -28.158 1.00 11.45 C ATOM 171 CE LYS A 13 -13.337 -10.317 -28.253 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.028 -10.312 -26.934 1.00 71.14 N ATOM 0 H LYS A 13 -8.682 -9.782 -31.248 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.657 -11.122 -28.837 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.876 -10.092 -31.409 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -11.768 -11.197 -30.382 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.597 -8.583 -29.373 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -12.220 -8.719 -30.021 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -11.255 -10.505 -27.764 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -11.922 -8.914 -27.454 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.917 -9.735 -28.969 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.290 -11.337 -28.634 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -14.983 -10.709 -27.041 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -13.488 -10.888 -26.257 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.096 -9.336 -26.581 1.00 71.14 H new ATOM 186 N ASN A 14 -8.872 -12.641 -31.597 1.00 14.55 N ATOM 187 CA ASN A 14 -8.697 -13.947 -32.221 1.00 43.33 C ATOM 188 C ASN A 14 -7.419 -14.619 -31.728 1.00 4.54 C ATOM 189 O ASN A 14 -6.487 -14.846 -32.501 1.00 13.15 O ATOM 190 CB ASN A 14 -8.657 -13.805 -33.744 1.00 12.44 C ATOM 191 CG ASN A 14 -8.879 -15.127 -34.455 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.232 -16.128 -33.830 1.00 11.24 O ATOM 193 ND2 ASN A 14 -8.672 -15.136 -35.766 1.00 4.23 N ATOM 0 H ASN A 14 -8.423 -11.872 -32.094 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.545 -14.572 -31.942 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -9.420 -13.093 -34.060 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.693 -13.393 -34.042 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -8.805 -15.996 -36.297 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -8.380 -14.282 -36.242 1.00 4.23 H new ATOM 200 N CYS A 15 -7.383 -14.934 -30.439 1.00 13.42 N ATOM 201 CA CYS A 15 -6.218 -15.580 -29.842 1.00 5.12 C ATOM 202 C CYS A 15 -6.605 -16.327 -28.569 1.00 45.42 C ATOM 203 O CYS A 15 -7.653 -16.066 -27.979 1.00 62.11 O ATOM 204 CB CYS A 15 -5.137 -14.544 -29.532 1.00 22.14 C ATOM 205 SG CYS A 15 -3.464 -15.224 -29.456 1.00 2.24 S ATOM 0 H CYS A 15 -8.146 -14.753 -29.787 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.824 -16.300 -30.559 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -5.167 -13.765 -30.293 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.368 -14.068 -28.579 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.749 -14.526 -28.624 1.00 2.24 H new ATOM 211 N ASP A 16 -5.752 -17.256 -28.153 1.00 14.03 N ATOM 212 CA ASP A 16 -6.003 -18.041 -26.950 1.00 11.23 C ATOM 213 C ASP A 16 -5.027 -17.663 -25.840 1.00 34.34 C ATOM 214 O ASP A 16 -5.407 -17.555 -24.674 1.00 45.12 O ATOM 215 CB ASP A 16 -5.891 -19.535 -27.257 1.00 50.21 C ATOM 216 CG ASP A 16 -4.819 -19.835 -28.287 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.636 -19.943 -27.898 1.00 34.14 O ATOM 218 OD2 ASP A 16 -5.162 -19.963 -29.481 1.00 34.04 O ATOM 0 H ASP A 16 -4.880 -17.484 -28.631 1.00 14.03 H new ATOM 0 HA ASP A 16 -7.015 -17.823 -26.609 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.669 -20.076 -26.337 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.852 -19.902 -27.619 1.00 50.21 H new ATOM 223 N THR A 17 -3.765 -17.463 -26.211 1.00 62.21 N ATOM 224 CA THR A 17 -2.735 -17.099 -25.247 1.00 10.24 C ATOM 225 C THR A 17 -3.165 -15.901 -24.407 1.00 43.54 C ATOM 226 O THR A 17 -2.809 -15.795 -23.234 1.00 32.13 O ATOM 227 CB THR A 17 -1.404 -16.767 -25.947 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.228 -17.611 -27.091 1.00 51.14 O ATOM 229 CG2 THR A 17 -0.231 -16.947 -24.994 1.00 13.05 C ATOM 0 H THR A 17 -3.433 -17.547 -27.172 1.00 62.21 H new ATOM 0 HA THR A 17 -2.592 -17.962 -24.597 1.00 10.24 H new ATOM 0 HB THR A 17 -1.437 -15.725 -26.265 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.380 -17.392 -27.531 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.698 -16.707 -25.511 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.352 -16.283 -24.138 1.00 13.05 H new ATOM 0 HG23 THR A 17 -0.198 -17.981 -24.649 1.00 13.05 H new ATOM 237 N MET A 18 -3.933 -15.003 -25.015 1.00 61.22 N ATOM 238 CA MET A 18 -4.414 -13.815 -24.320 1.00 4.42 C ATOM 239 C MET A 18 -5.166 -14.194 -23.048 1.00 72.34 C ATOM 240 O MET A 18 -5.114 -13.479 -22.047 1.00 54.40 O ATOM 241 CB MET A 18 -5.322 -12.994 -25.238 1.00 41.43 C ATOM 242 CG MET A 18 -4.659 -11.739 -25.784 1.00 42.31 C ATOM 243 SD MET A 18 -5.093 -10.261 -24.849 1.00 61.21 S ATOM 244 CE MET A 18 -3.477 -9.523 -24.614 1.00 35.43 C ATOM 0 H MET A 18 -4.235 -15.075 -25.986 1.00 61.22 H new ATOM 0 HA MET A 18 -3.549 -13.213 -24.042 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.642 -13.618 -26.072 1.00 41.43 H new ATOM 0 HB3 MET A 18 -6.220 -12.711 -24.689 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.577 -11.869 -25.769 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.949 -11.603 -26.826 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.589 -8.457 -24.416 1.00 35.43 H new ATOM 0 HE2 MET A 18 -2.979 -9.999 -23.769 1.00 35.43 H new ATOM 0 HE3 MET A 18 -2.878 -9.664 -25.514 1.00 35.43 H new ATOM 254 N LYS A 19 -5.866 -15.323 -23.095 1.00 34.45 N ATOM 255 CA LYS A 19 -6.628 -15.799 -21.947 1.00 44.21 C ATOM 256 C LYS A 19 -5.703 -16.144 -20.785 1.00 43.12 C ATOM 257 O LYS A 19 -5.901 -15.682 -19.661 1.00 22.52 O ATOM 258 CB LYS A 19 -7.459 -17.024 -22.334 1.00 42.21 C ATOM 259 CG LYS A 19 -8.449 -17.450 -21.264 1.00 0.44 C ATOM 260 CD LYS A 19 -9.824 -16.853 -21.507 1.00 30.12 C ATOM 261 CE LYS A 19 -10.615 -17.669 -22.518 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.849 -16.963 -22.959 1.00 12.14 N ATOM 0 H LYS A 19 -5.921 -15.925 -23.916 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.297 -14.999 -21.629 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -8.002 -16.808 -23.254 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.787 -17.856 -22.548 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.522 -18.537 -21.246 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.084 -17.139 -20.285 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.373 -16.806 -20.566 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.719 -15.829 -21.866 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -9.988 -17.879 -23.384 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -10.884 -18.629 -22.078 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.359 -17.553 -23.647 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -12.460 -16.784 -22.136 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.592 -16.058 -23.402 1.00 12.14 H new ATOM 276 N LYS A 20 -4.690 -16.959 -21.063 1.00 34.44 N ATOM 277 CA LYS A 20 -3.732 -17.365 -20.041 1.00 13.54 C ATOM 278 C LYS A 20 -3.004 -16.154 -19.467 1.00 54.33 C ATOM 279 O LYS A 20 -2.957 -15.966 -18.252 1.00 71.32 O ATOM 280 CB LYS A 20 -2.720 -18.353 -20.627 1.00 51.40 C ATOM 281 CG LYS A 20 -3.361 -19.539 -21.325 1.00 41.13 C ATOM 282 CD LYS A 20 -2.325 -20.575 -21.730 1.00 21.45 C ATOM 283 CE LYS A 20 -2.980 -21.869 -22.188 1.00 33.50 C ATOM 284 NZ LYS A 20 -1.987 -22.820 -22.761 1.00 30.33 N ATOM 0 H LYS A 20 -4.512 -17.351 -21.988 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.281 -17.852 -19.235 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.081 -17.827 -21.336 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.076 -18.718 -19.827 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.096 -19.998 -20.664 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.898 -19.195 -22.209 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -1.705 -20.176 -22.533 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -1.664 -20.779 -20.887 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -3.487 -22.338 -21.345 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -3.742 -21.646 -22.935 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -2.472 -23.689 -23.061 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -1.521 -22.383 -23.581 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -1.274 -23.053 -22.041 1.00 30.33 H new ATOM 298 N ALA A 21 -2.439 -15.336 -20.348 1.00 53.12 N ATOM 299 CA ALA A 21 -1.716 -14.142 -19.928 1.00 1.22 C ATOM 300 C ALA A 21 -2.582 -13.263 -19.033 1.00 43.50 C ATOM 301 O ALA A 21 -2.143 -12.816 -17.972 1.00 22.15 O ATOM 302 CB ALA A 21 -1.242 -13.358 -21.143 1.00 20.30 C ATOM 0 H ALA A 21 -2.468 -15.478 -21.358 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.847 -14.457 -19.351 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.704 -12.469 -20.815 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.580 -13.982 -21.743 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.102 -13.061 -21.742 1.00 20.30 H new ATOM 308 N ARG A 22 -3.814 -13.016 -19.466 1.00 25.34 N ATOM 309 CA ARG A 22 -4.741 -12.188 -18.706 1.00 62.34 C ATOM 310 C ARG A 22 -4.973 -12.771 -17.313 1.00 32.15 C ATOM 311 O ARG A 22 -4.885 -12.061 -16.311 1.00 70.51 O ATOM 312 CB ARG A 22 -6.074 -12.065 -19.446 1.00 44.13 C ATOM 313 CG ARG A 22 -6.057 -11.033 -20.562 1.00 55.33 C ATOM 314 CD ARG A 22 -7.082 -11.359 -21.637 1.00 32.33 C ATOM 315 NE ARG A 22 -8.397 -10.805 -21.326 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.373 -10.684 -22.218 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.184 -11.075 -23.471 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.543 -10.170 -21.858 1.00 10.54 N ATOM 0 H ARG A 22 -4.193 -13.378 -20.341 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.300 -11.197 -18.599 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.339 -13.036 -19.864 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.854 -11.802 -18.731 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -6.263 -10.045 -20.149 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.062 -10.992 -21.006 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.740 -10.966 -22.595 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.161 -12.441 -21.746 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.575 -10.494 -20.371 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.287 -11.470 -23.752 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -9.936 -10.981 -24.154 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.693 -9.868 -20.895 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -11.292 -10.077 -22.544 1.00 10.54 H new ATOM 332 N ILE A 23 -5.268 -14.065 -17.261 1.00 34.41 N ATOM 333 CA ILE A 23 -5.511 -14.741 -15.993 1.00 74.45 C ATOM 334 C ILE A 23 -4.294 -14.650 -15.079 1.00 44.23 C ATOM 335 O ILE A 23 -4.427 -14.541 -13.860 1.00 42.13 O ATOM 336 CB ILE A 23 -5.870 -16.223 -16.205 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.133 -16.349 -17.060 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.060 -16.920 -14.866 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.197 -17.631 -17.859 1.00 52.43 C ATOM 0 H ILE A 23 -5.345 -14.666 -18.082 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.354 -14.235 -15.523 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.048 -16.707 -16.732 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.008 -16.290 -16.412 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.185 -15.502 -17.744 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.313 -17.967 -15.033 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.137 -16.858 -14.289 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.866 -16.435 -14.315 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.119 -17.652 -18.441 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.342 -17.683 -18.533 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.177 -18.484 -17.181 1.00 52.43 H new ATOM 351 N TRP A 24 -3.109 -14.693 -15.676 1.00 31.51 N ATOM 352 CA TRP A 24 -1.867 -14.613 -14.916 1.00 62.05 C ATOM 353 C TRP A 24 -1.686 -13.225 -14.313 1.00 74.25 C ATOM 354 O TRP A 24 -1.426 -13.085 -13.117 1.00 4.31 O ATOM 355 CB TRP A 24 -0.674 -14.954 -15.810 1.00 3.42 C ATOM 356 CG TRP A 24 0.455 -15.609 -15.072 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.733 -16.944 -15.020 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.453 -14.957 -14.280 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.845 -17.162 -14.243 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.306 -15.959 -13.778 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.711 -13.624 -13.948 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.396 -15.668 -12.962 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.792 -13.338 -13.137 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.625 -14.355 -12.652 1.00 64.41 C ATOM 0 H TRP A 24 -2.982 -14.783 -16.684 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.921 -15.337 -14.103 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.007 -15.615 -16.611 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.309 -14.041 -16.281 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.163 -17.715 -15.516 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.260 -18.072 -14.045 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.077 -12.832 -14.319 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 4.038 -16.451 -12.587 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.999 -12.312 -12.872 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.463 -14.098 -12.022 1.00 64.41 H new ATOM 375 N LEU A 25 -1.824 -12.199 -15.146 1.00 11.33 N ATOM 376 CA LEU A 25 -1.676 -10.820 -14.695 1.00 44.32 C ATOM 377 C LEU A 25 -2.652 -10.510 -13.565 1.00 51.32 C ATOM 378 O LEU A 25 -2.269 -9.946 -12.540 1.00 43.22 O ATOM 379 CB LEU A 25 -1.903 -9.854 -15.860 1.00 70.24 C ATOM 380 CG LEU A 25 -0.656 -9.448 -16.647 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.267 -8.602 -15.784 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.074 -10.679 -17.164 1.00 3.23 C ATOM 0 H LEU A 25 -2.038 -12.297 -16.138 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.661 -10.693 -14.319 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.612 -10.310 -16.551 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.373 -8.951 -15.471 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.969 -8.850 -17.503 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.149 -8.322 -16.360 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.258 -7.702 -15.464 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.572 -9.175 -14.908 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.958 -10.370 -17.721 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.375 -11.304 -16.323 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.588 -11.246 -17.819 1.00 3.23 H new ATOM 394 N GLU A 26 -3.912 -10.883 -13.759 1.00 61.23 N ATOM 395 CA GLU A 26 -4.942 -10.645 -12.754 1.00 64.31 C ATOM 396 C GLU A 26 -4.699 -11.498 -11.513 1.00 74.22 C ATOM 397 O GLU A 26 -4.959 -11.068 -10.389 1.00 53.23 O ATOM 398 CB GLU A 26 -6.327 -10.946 -13.330 1.00 32.45 C ATOM 399 CG GLU A 26 -6.554 -12.418 -13.631 1.00 31.13 C ATOM 400 CD GLU A 26 -7.913 -12.684 -14.249 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.509 -11.738 -14.804 1.00 61.24 O ATOM 402 OE2 GLU A 26 -8.381 -13.840 -14.176 1.00 13.03 O ATOM 0 H GLU A 26 -4.245 -11.351 -14.602 1.00 61.23 H new ATOM 0 HA GLU A 26 -4.896 -9.595 -12.466 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.086 -10.607 -12.625 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.463 -10.371 -14.246 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -5.776 -12.771 -14.308 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.459 -12.992 -12.709 1.00 31.13 H new ATOM 409 N ASP A 27 -4.198 -12.711 -11.725 1.00 34.31 N ATOM 410 CA ASP A 27 -3.919 -13.625 -10.624 1.00 72.41 C ATOM 411 C ASP A 27 -2.851 -13.052 -9.697 1.00 33.14 C ATOM 412 O ASP A 27 -2.956 -13.151 -8.475 1.00 3.11 O ATOM 413 CB ASP A 27 -3.467 -14.984 -11.164 1.00 42.32 C ATOM 414 CG ASP A 27 -2.900 -15.877 -10.079 1.00 63.52 C ATOM 415 OD1 ASP A 27 -1.681 -15.793 -9.817 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.674 -16.662 -9.492 1.00 45.10 O ATOM 0 H ASP A 27 -3.977 -13.083 -12.649 1.00 34.31 H new ATOM 0 HA ASP A 27 -4.838 -13.756 -10.052 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.313 -15.483 -11.637 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -2.713 -14.832 -11.937 1.00 42.32 H new ATOM 421 N HIS A 28 -1.822 -12.451 -10.289 1.00 21.13 N ATOM 422 CA HIS A 28 -0.734 -11.861 -9.517 1.00 13.54 C ATOM 423 C HIS A 28 -1.125 -10.482 -8.994 1.00 43.42 C ATOM 424 O HIS A 28 -0.492 -9.951 -8.083 1.00 0.32 O ATOM 425 CB HIS A 28 0.528 -11.757 -10.374 1.00 14.43 C ATOM 426 CG HIS A 28 1.771 -11.497 -9.579 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.610 -10.430 -9.822 1.00 12.03 N ATOM 428 CD2 HIS A 28 2.314 -12.171 -8.538 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.616 -10.459 -8.967 1.00 24.52 C ATOM 430 NE2 HIS A 28 3.460 -11.506 -8.176 1.00 21.13 N ATOM 0 H HIS A 28 -1.720 -12.360 -11.300 1.00 21.13 H new ATOM 0 HA HIS A 28 -0.532 -12.509 -8.664 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.653 -12.682 -10.936 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.398 -10.956 -11.102 1.00 14.43 H new ATOM 0 HD2 HIS A 28 1.920 -13.065 -8.078 1.00 71.45 H new ATOM 0 HE1 HIS A 28 4.428 -9.748 -8.922 1.00 24.52 H new ATOM 0 HE2 HIS A 28 4.089 -11.776 -7.420 1.00 21.13 H new ATOM 438 N GLY A 29 -2.170 -9.906 -9.580 1.00 43.32 N ATOM 439 CA GLY A 29 -2.625 -8.594 -9.161 1.00 61.30 C ATOM 440 C GLY A 29 -1.777 -7.475 -9.732 1.00 13.24 C ATOM 441 O GLY A 29 -1.299 -6.612 -8.996 1.00 52.32 O ATOM 0 H GLY A 29 -2.709 -10.325 -10.338 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -3.660 -8.456 -9.472 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.609 -8.538 -8.073 1.00 61.30 H new ATOM 445 N ILE A 30 -1.586 -7.493 -11.047 1.00 54.44 N ATOM 446 CA ILE A 30 -0.788 -6.472 -11.716 1.00 74.22 C ATOM 447 C ILE A 30 -1.676 -5.492 -12.477 1.00 61.31 C ATOM 448 O ILE A 30 -2.696 -5.877 -13.049 1.00 14.22 O ATOM 449 CB ILE A 30 0.221 -7.100 -12.695 1.00 33.02 C ATOM 450 CG1 ILE A 30 1.165 -8.047 -11.951 1.00 74.32 C ATOM 451 CG2 ILE A 30 1.009 -6.013 -13.411 1.00 52.12 C ATOM 452 CD1 ILE A 30 2.046 -8.866 -12.868 1.00 25.45 C ATOM 0 H ILE A 30 -1.972 -8.202 -11.670 1.00 54.44 H new ATOM 0 HA ILE A 30 -0.243 -5.936 -10.939 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.328 -7.676 -13.440 1.00 33.02 H new ATOM 0 HG12 ILE A 30 1.796 -7.465 -11.279 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.575 -8.721 -11.330 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.718 -6.472 -14.100 1.00 52.12 H new ATOM 0 HG22 ILE A 30 0.324 -5.374 -13.968 1.00 52.12 H new ATOM 0 HG23 ILE A 30 1.550 -5.414 -12.679 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.689 -9.514 -12.272 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.423 -9.475 -13.523 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.662 -8.199 -13.471 1.00 25.45 H new ATOM 464 N ASP A 31 -1.278 -4.224 -12.480 1.00 75.12 N ATOM 465 CA ASP A 31 -2.035 -3.188 -13.174 1.00 21.24 C ATOM 466 C ASP A 31 -1.627 -3.106 -14.641 1.00 75.12 C ATOM 467 O ASP A 31 -0.467 -2.840 -14.958 1.00 63.43 O ATOM 468 CB ASP A 31 -1.826 -1.833 -12.496 1.00 24.41 C ATOM 469 CG ASP A 31 -2.713 -1.650 -11.280 1.00 12.42 C ATOM 470 OD1 ASP A 31 -3.897 -2.044 -11.345 1.00 24.32 O ATOM 471 OD2 ASP A 31 -2.224 -1.113 -10.265 1.00 60.30 O ATOM 0 H ASP A 31 -0.437 -3.889 -12.010 1.00 75.12 H new ATOM 0 HA ASP A 31 -3.092 -3.451 -13.125 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -0.782 -1.736 -12.198 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -2.028 -1.037 -13.212 1.00 24.41 H new ATOM 476 N TYR A 32 -2.584 -3.337 -15.530 1.00 1.34 N ATOM 477 CA TYR A 32 -2.324 -3.292 -16.964 1.00 14.55 C ATOM 478 C TYR A 32 -3.620 -3.118 -17.750 1.00 23.04 C ATOM 479 O TYR A 32 -4.622 -3.777 -17.472 1.00 43.04 O ATOM 480 CB TYR A 32 -1.610 -4.568 -17.414 1.00 44.01 C ATOM 481 CG TYR A 32 -2.523 -5.769 -17.517 1.00 2.43 C ATOM 482 CD1 TYR A 32 -3.238 -6.219 -16.413 1.00 2.21 C ATOM 483 CD2 TYR A 32 -2.671 -6.453 -18.716 1.00 41.42 C ATOM 484 CE1 TYR A 32 -4.073 -7.316 -16.503 1.00 1.10 C ATOM 485 CE2 TYR A 32 -3.506 -7.551 -18.815 1.00 0.12 C ATOM 486 CZ TYR A 32 -4.204 -7.977 -17.705 1.00 70.01 C ATOM 487 OH TYR A 32 -5.035 -9.070 -17.799 1.00 34.31 O ATOM 0 H TYR A 32 -3.549 -3.558 -15.284 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.683 -2.434 -17.163 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -1.145 -4.391 -18.384 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -0.807 -4.792 -16.712 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -3.139 -5.703 -15.470 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -2.124 -6.122 -19.587 1.00 41.42 H new ATOM 0 HE1 TYR A 32 -4.620 -7.654 -15.635 1.00 1.10 H new ATOM 0 HE2 TYR A 32 -3.611 -8.071 -19.756 1.00 0.12 H new ATOM 0 HH TYR A 32 -5.819 -8.840 -18.340 1.00 34.31 H new ATOM 497 N THR A 33 -3.593 -2.223 -18.734 1.00 12.42 N ATOM 498 CA THR A 33 -4.764 -1.960 -19.560 1.00 70.00 C ATOM 499 C THR A 33 -4.763 -2.834 -20.808 1.00 44.51 C ATOM 500 O THR A 33 -3.737 -2.985 -21.473 1.00 22.54 O ATOM 501 CB THR A 33 -4.832 -0.480 -19.982 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.755 0.363 -18.827 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.119 -0.193 -20.740 1.00 52.41 C ATOM 0 H THR A 33 -2.772 -1.669 -18.977 1.00 12.42 H new ATOM 0 HA THR A 33 -5.639 -2.198 -18.955 1.00 70.00 H new ATOM 0 HB THR A 33 -3.987 -0.273 -20.639 1.00 0.30 H new ATOM 0 HG1 THR A 33 -4.797 1.302 -19.104 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.145 0.858 -21.028 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.161 -0.815 -21.634 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.974 -0.416 -20.102 1.00 52.41 H new ATOM 511 N PHE A 34 -5.919 -3.408 -21.124 1.00 20.02 N ATOM 512 CA PHE A 34 -6.053 -4.267 -22.294 1.00 51.35 C ATOM 513 C PHE A 34 -6.276 -3.439 -23.555 1.00 63.42 C ATOM 514 O PHE A 34 -7.332 -2.831 -23.734 1.00 51.44 O ATOM 515 CB PHE A 34 -7.211 -5.249 -22.104 1.00 74.40 C ATOM 516 CG PHE A 34 -7.531 -6.044 -23.337 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.520 -6.619 -24.088 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.844 -6.218 -23.743 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.811 -7.353 -25.223 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.142 -6.950 -24.877 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.124 -7.517 -25.618 1.00 71.33 C ATOM 0 H PHE A 34 -6.777 -3.293 -20.585 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.125 -4.828 -22.408 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.966 -5.935 -21.293 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.099 -4.696 -21.797 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.492 -6.493 -23.784 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.644 -5.777 -23.167 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.013 -7.797 -25.799 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.170 -7.078 -25.183 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.354 -8.088 -26.505 1.00 71.33 H new ATOM 531 N HIS A 35 -5.274 -3.418 -24.429 1.00 30.12 N ATOM 532 CA HIS A 35 -5.360 -2.664 -25.675 1.00 4.21 C ATOM 533 C HIS A 35 -5.392 -3.603 -26.877 1.00 71.42 C ATOM 534 O HIS A 35 -4.486 -4.415 -27.067 1.00 23.35 O ATOM 535 CB HIS A 35 -4.177 -1.702 -25.795 1.00 32.13 C ATOM 536 CG HIS A 35 -4.558 -0.263 -25.637 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.349 0.198 -24.605 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.249 0.823 -26.385 1.00 54.12 C ATOM 539 CE1 HIS A 35 -5.513 1.503 -24.727 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.855 1.907 -25.798 1.00 32.22 N ATOM 0 H HIS A 35 -4.393 -3.915 -24.297 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.286 -2.089 -25.661 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.433 -1.958 -25.040 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -3.704 -1.840 -26.768 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -3.640 0.835 -27.277 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.088 2.132 -24.064 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -4.805 2.868 -26.135 1.00 32.22 H new ATOM 548 N ASP A 36 -6.441 -3.486 -27.684 1.00 25.23 N ATOM 549 CA ASP A 36 -6.591 -4.324 -28.868 1.00 42.21 C ATOM 550 C ASP A 36 -6.007 -3.635 -30.098 1.00 1.23 C ATOM 551 O ASP A 36 -6.215 -2.441 -30.311 1.00 31.51 O ATOM 552 CB ASP A 36 -8.066 -4.651 -29.104 1.00 24.32 C ATOM 553 CG ASP A 36 -8.269 -6.050 -29.650 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.823 -6.313 -30.787 1.00 70.42 O ATOM 555 OD2 ASP A 36 -8.872 -6.882 -28.942 1.00 21.31 O ATOM 0 H ASP A 36 -7.200 -2.819 -27.540 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.044 -5.251 -28.698 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.613 -4.547 -28.167 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.488 -3.927 -29.801 1.00 24.32 H new ATOM 560 N TYR A 37 -5.275 -4.397 -30.904 1.00 30.14 N ATOM 561 CA TYR A 37 -4.657 -3.859 -32.111 1.00 33.02 C ATOM 562 C TYR A 37 -5.715 -3.316 -33.067 1.00 52.25 C ATOM 563 O TYR A 37 -5.552 -2.241 -33.646 1.00 44.22 O ATOM 564 CB TYR A 37 -3.829 -4.939 -32.809 1.00 4.33 C ATOM 565 CG TYR A 37 -2.402 -5.020 -32.317 1.00 34.33 C ATOM 566 CD1 TYR A 37 -1.590 -3.894 -32.294 1.00 30.14 C ATOM 567 CD2 TYR A 37 -1.866 -6.223 -31.874 1.00 74.22 C ATOM 568 CE1 TYR A 37 -0.285 -3.963 -31.847 1.00 74.45 C ATOM 569 CE2 TYR A 37 -0.562 -6.301 -31.424 1.00 34.11 C ATOM 570 CZ TYR A 37 0.225 -5.168 -31.412 1.00 12.12 C ATOM 571 OH TYR A 37 1.524 -5.241 -30.964 1.00 41.03 O ATOM 0 H TYR A 37 -5.095 -5.388 -30.744 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.001 -3.039 -31.820 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -4.311 -5.906 -32.662 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.824 -4.745 -33.882 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -1.986 -2.948 -32.632 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -2.479 -7.112 -31.882 1.00 74.22 H new ATOM 0 HE1 TYR A 37 0.333 -3.077 -31.838 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.161 -7.244 -31.083 1.00 34.11 H new ATOM 0 HH TYR A 37 1.725 -6.161 -30.693 1.00 41.03 H new ATOM 581 N LYS A 38 -6.799 -4.067 -33.229 1.00 0.11 N ATOM 582 CA LYS A 38 -7.886 -3.662 -34.113 1.00 54.34 C ATOM 583 C LYS A 38 -8.668 -2.496 -33.515 1.00 63.30 C ATOM 584 O LYS A 38 -8.829 -1.454 -34.149 1.00 51.11 O ATOM 585 CB LYS A 38 -8.825 -4.841 -34.372 1.00 63.31 C ATOM 586 CG LYS A 38 -9.943 -4.525 -35.351 1.00 54.42 C ATOM 587 CD LYS A 38 -11.067 -5.544 -35.264 1.00 63.40 C ATOM 588 CE LYS A 38 -12.014 -5.432 -36.449 1.00 74.30 C ATOM 589 NZ LYS A 38 -11.497 -6.157 -37.642 1.00 30.43 N ATOM 0 H LYS A 38 -6.948 -4.960 -32.759 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.451 -3.337 -35.058 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.244 -5.680 -34.755 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.262 -5.161 -33.426 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.337 -3.530 -35.146 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -9.545 -4.507 -36.366 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -10.646 -6.549 -35.227 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -11.622 -5.396 -34.338 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -12.989 -5.834 -36.174 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -12.161 -4.381 -36.698 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -12.171 -6.057 -38.428 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -10.578 -5.757 -37.920 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -11.380 -7.165 -37.412 1.00 30.43 H new ATOM 603 N LYS A 39 -9.151 -2.680 -32.292 1.00 13.11 N ATOM 604 CA LYS A 39 -9.913 -1.643 -31.606 1.00 43.13 C ATOM 605 C LYS A 39 -9.134 -0.334 -31.561 1.00 2.14 C ATOM 606 O LYS A 39 -9.670 0.729 -31.873 1.00 41.33 O ATOM 607 CB LYS A 39 -10.259 -2.092 -30.184 1.00 74.40 C ATOM 608 CG LYS A 39 -11.554 -1.497 -29.657 1.00 14.42 C ATOM 609 CD LYS A 39 -12.764 -2.277 -30.141 1.00 32.52 C ATOM 610 CE LYS A 39 -14.035 -1.830 -29.435 1.00 13.12 C ATOM 611 NZ LYS A 39 -13.923 -1.962 -27.956 1.00 4.24 N ATOM 0 H LYS A 39 -9.029 -3.538 -31.754 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.835 -1.477 -32.163 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.333 -3.179 -30.163 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.443 -1.815 -29.516 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.536 -1.492 -28.567 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.636 -0.459 -29.980 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -12.878 -2.143 -31.217 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -12.605 -3.341 -29.967 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -14.248 -0.792 -29.692 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -14.876 -2.425 -29.790 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -14.874 -1.998 -27.538 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -13.409 -2.836 -27.723 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -13.407 -1.145 -27.573 1.00 4.24 H new ATOM 625 N GLU A 40 -7.864 -0.418 -31.175 1.00 43.23 N ATOM 626 CA GLU A 40 -7.012 0.762 -31.090 1.00 30.23 C ATOM 627 C GLU A 40 -6.742 1.337 -32.477 1.00 71.01 C ATOM 628 O GLU A 40 -6.505 2.535 -32.629 1.00 70.35 O ATOM 629 CB GLU A 40 -5.690 0.415 -30.404 1.00 33.12 C ATOM 630 CG GLU A 40 -4.958 1.624 -29.847 1.00 71.13 C ATOM 631 CD GLU A 40 -4.271 2.438 -30.927 1.00 51.30 C ATOM 632 OE1 GLU A 40 -3.359 1.898 -31.586 1.00 11.55 O ATOM 633 OE2 GLU A 40 -4.645 3.615 -31.112 1.00 43.15 O ATOM 0 H GLU A 40 -7.403 -1.291 -30.917 1.00 43.23 H new ATOM 0 HA GLU A 40 -7.533 1.514 -30.498 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.884 -0.287 -29.593 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.043 -0.094 -31.118 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.666 2.259 -29.314 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.217 1.292 -29.120 1.00 71.13 H new ATOM 640 N GLY A 41 -6.778 0.473 -33.488 1.00 12.45 N ATOM 641 CA GLY A 41 -6.534 0.913 -34.849 1.00 0.44 C ATOM 642 C GLY A 41 -5.056 1.005 -35.173 1.00 54.13 C ATOM 643 O GLY A 41 -4.401 1.996 -34.844 1.00 32.21 O ATOM 0 H GLY A 41 -6.972 -0.523 -33.388 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.012 0.221 -35.542 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.997 1.888 -35.001 1.00 0.44 H new ATOM 647 N LEU A 42 -4.528 -0.029 -35.818 1.00 61.22 N ATOM 648 CA LEU A 42 -3.116 -0.063 -36.184 1.00 32.11 C ATOM 649 C LEU A 42 -2.866 0.739 -37.458 1.00 60.11 C ATOM 650 O LEU A 42 -3.448 0.456 -38.505 1.00 61.12 O ATOM 651 CB LEU A 42 -2.653 -1.507 -36.378 1.00 31.00 C ATOM 652 CG LEU A 42 -1.176 -1.782 -36.091 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.290 -0.917 -36.975 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.864 -1.542 -34.622 1.00 25.43 C ATOM 0 H LEU A 42 -5.056 -0.855 -36.099 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.544 0.388 -35.373 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.253 -2.150 -35.734 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.863 -1.800 -37.407 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.970 -2.828 -36.319 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.757 -1.126 -36.757 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.494 -1.139 -38.023 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.498 0.135 -36.780 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.191 -1.743 -34.437 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.087 -0.506 -34.367 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.473 -2.205 -34.008 1.00 25.43 H new ATOM 666 N ASP A 43 -1.995 1.738 -37.361 1.00 24.10 N ATOM 667 CA ASP A 43 -1.665 2.579 -38.506 1.00 33.24 C ATOM 668 C ASP A 43 -0.170 2.531 -38.801 1.00 21.14 C ATOM 669 O ASP A 43 0.597 1.897 -38.077 1.00 4.53 O ATOM 670 CB ASP A 43 -2.102 4.022 -38.250 1.00 14.14 C ATOM 671 CG ASP A 43 -2.441 4.760 -39.529 1.00 53.01 C ATOM 672 OD1 ASP A 43 -1.519 5.335 -40.144 1.00 52.23 O ATOM 673 OD2 ASP A 43 -3.629 4.764 -39.916 1.00 4.11 O ATOM 0 H ASP A 43 -1.505 1.985 -36.501 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.201 2.195 -39.374 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -2.971 4.024 -37.592 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.306 4.553 -37.728 1.00 14.14 H new ATOM 678 N ALA A 44 0.238 3.205 -39.872 1.00 11.33 N ATOM 679 CA ALA A 44 1.643 3.241 -40.262 1.00 41.31 C ATOM 680 C ALA A 44 2.500 3.880 -39.174 1.00 2.35 C ATOM 681 O ALA A 44 3.634 3.465 -38.942 1.00 3.31 O ATOM 682 CB ALA A 44 1.806 3.993 -41.575 1.00 54.41 C ATOM 0 H ALA A 44 -0.384 3.733 -40.484 1.00 11.33 H new ATOM 0 HA ALA A 44 1.983 2.214 -40.398 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.859 4.013 -41.855 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.233 3.492 -42.355 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.443 5.014 -41.457 1.00 54.41 H new ATOM 688 N GLU A 45 1.948 4.892 -38.511 1.00 21.11 N ATOM 689 CA GLU A 45 2.663 5.588 -37.448 1.00 32.33 C ATOM 690 C GLU A 45 3.007 4.635 -36.308 1.00 22.11 C ATOM 691 O GLU A 45 4.154 4.562 -35.867 1.00 3.32 O ATOM 692 CB GLU A 45 1.826 6.754 -36.919 1.00 25.10 C ATOM 693 CG GLU A 45 2.621 7.744 -36.083 1.00 65.44 C ATOM 694 CD GLU A 45 2.901 9.038 -36.821 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.937 9.668 -37.303 1.00 35.42 O ATOM 696 OE2 GLU A 45 4.086 9.421 -36.916 1.00 31.22 O ATOM 0 H GLU A 45 1.009 5.247 -38.691 1.00 21.11 H new ATOM 0 HA GLU A 45 3.592 5.977 -37.865 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.378 7.280 -37.762 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.007 6.359 -36.318 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.072 7.964 -35.167 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.565 7.287 -35.787 1.00 65.44 H new ATOM 703 N THR A 46 2.003 3.903 -35.832 1.00 73.34 N ATOM 704 CA THR A 46 2.196 2.956 -34.743 1.00 14.20 C ATOM 705 C THR A 46 3.147 1.837 -35.151 1.00 20.44 C ATOM 706 O THR A 46 4.072 1.494 -34.413 1.00 51.10 O ATOM 707 CB THR A 46 0.859 2.339 -34.291 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.209 3.265 -34.517 1.00 61.33 O ATOM 709 CG2 THR A 46 0.907 1.962 -32.818 1.00 1.32 C ATOM 0 H THR A 46 1.047 3.949 -36.185 1.00 73.34 H new ATOM 0 HA THR A 46 2.629 3.513 -33.912 1.00 14.20 H new ATOM 0 HB THR A 46 0.686 1.435 -34.875 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.056 2.865 -34.229 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.048 1.528 -32.522 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.702 1.234 -32.654 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.102 2.853 -32.221 1.00 1.32 H new ATOM 717 N LEU A 47 2.915 1.269 -36.329 1.00 41.05 N ATOM 718 CA LEU A 47 3.753 0.187 -36.835 1.00 30.54 C ATOM 719 C LEU A 47 5.208 0.630 -36.943 1.00 4.21 C ATOM 720 O LEU A 47 6.113 -0.062 -36.474 1.00 62.44 O ATOM 721 CB LEU A 47 3.248 -0.278 -38.203 1.00 40.43 C ATOM 722 CG LEU A 47 3.546 -1.732 -38.570 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.046 -1.962 -38.662 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.921 -2.678 -37.554 1.00 35.34 C ATOM 0 H LEU A 47 2.154 1.539 -36.952 1.00 41.05 H new ATOM 0 HA LEU A 47 3.696 -0.643 -36.131 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.169 -0.129 -38.239 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.685 0.365 -38.967 1.00 40.43 H new ATOM 0 HG LEU A 47 3.107 -1.938 -39.546 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.239 -3.002 -38.924 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.468 -1.311 -39.427 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.508 -1.738 -37.700 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.143 -3.708 -37.831 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.330 -2.472 -36.565 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.841 -2.532 -37.537 1.00 35.34 H new ATOM 736 N ASP A 48 5.426 1.786 -37.558 1.00 1.01 N ATOM 737 CA ASP A 48 6.772 2.323 -37.723 1.00 1.33 C ATOM 738 C ASP A 48 7.441 2.538 -36.370 1.00 4.12 C ATOM 739 O ASP A 48 8.590 2.145 -36.164 1.00 45.52 O ATOM 740 CB ASP A 48 6.726 3.641 -38.498 1.00 15.35 C ATOM 741 CG ASP A 48 8.083 4.039 -39.044 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.512 3.446 -40.057 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.716 4.942 -38.460 1.00 70.50 O ATOM 0 H ASP A 48 4.688 2.370 -37.951 1.00 1.01 H new ATOM 0 HA ASP A 48 7.359 1.598 -38.287 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.018 3.550 -39.322 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.355 4.431 -37.845 1.00 15.35 H new ATOM 748 N ARG A 49 6.716 3.165 -35.449 1.00 40.22 N ATOM 749 CA ARG A 49 7.240 3.433 -34.115 1.00 24.55 C ATOM 750 C ARG A 49 7.673 2.139 -33.431 1.00 53.00 C ATOM 751 O ARG A 49 8.747 2.071 -32.831 1.00 73.52 O ATOM 752 CB ARG A 49 6.188 4.146 -33.264 1.00 41.24 C ATOM 753 CG ARG A 49 6.039 5.623 -33.590 1.00 35.00 C ATOM 754 CD ARG A 49 4.820 6.224 -32.907 1.00 53.11 C ATOM 755 NE ARG A 49 4.705 7.659 -33.158 1.00 73.43 N ATOM 756 CZ ARG A 49 3.712 8.408 -32.692 1.00 12.33 C ATOM 757 NH1 ARG A 49 2.754 7.862 -31.956 1.00 1.45 N ATOM 758 NH2 ARG A 49 3.677 9.707 -32.962 1.00 21.11 N ATOM 0 H ARG A 49 5.764 3.497 -35.602 1.00 40.22 H new ATOM 0 HA ARG A 49 8.112 4.079 -34.217 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.226 3.653 -33.403 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.451 4.040 -32.212 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.935 6.158 -33.275 1.00 35.00 H new ATOM 0 HG3 ARG A 49 5.953 5.752 -34.669 1.00 35.00 H new ATOM 0 HD2 ARG A 49 3.921 5.721 -33.261 1.00 53.11 H new ATOM 0 HD3 ARG A 49 4.882 6.047 -31.833 1.00 53.11 H new ATOM 0 HE ARG A 49 5.426 8.110 -33.721 1.00 73.43 H new ATOM 0 HH11 ARG A 49 2.778 6.864 -31.746 1.00 1.45 H new ATOM 0 HH12 ARG A 49 1.993 8.440 -31.600 1.00 1.45 H new ATOM 0 HH21 ARG A 49 4.413 10.130 -33.528 1.00 21.11 H new ATOM 0 HH22 ARG A 49 2.914 10.282 -32.604 1.00 21.11 H new ATOM 772 N PHE A 50 6.830 1.117 -33.523 1.00 52.05 N ATOM 773 CA PHE A 50 7.125 -0.174 -32.912 1.00 23.30 C ATOM 774 C PHE A 50 8.303 -0.850 -33.608 1.00 71.14 C ATOM 775 O PHE A 50 9.092 -1.553 -32.976 1.00 40.10 O ATOM 776 CB PHE A 50 5.894 -1.082 -32.969 1.00 63.44 C ATOM 777 CG PHE A 50 4.929 -0.857 -31.840 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.353 -0.939 -30.524 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.600 -0.562 -32.096 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.467 -0.733 -29.482 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.710 -0.355 -31.058 1.00 41.31 C ATOM 782 CZ PHE A 50 3.145 -0.439 -29.750 1.00 24.45 C ATOM 0 H PHE A 50 5.937 1.157 -34.015 1.00 52.05 H new ATOM 0 HA PHE A 50 7.393 -0.002 -31.870 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.377 -0.921 -33.915 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.219 -2.122 -32.956 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.387 -1.166 -30.309 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.255 -0.493 -33.117 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.809 -0.802 -28.460 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.676 -0.128 -31.270 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.452 -0.275 -28.938 1.00 24.45 H new ATOM 792 N LEU A 51 8.414 -0.632 -34.913 1.00 22.50 N ATOM 793 CA LEU A 51 9.494 -1.220 -35.698 1.00 0.23 C ATOM 794 C LEU A 51 10.831 -0.570 -35.356 1.00 53.31 C ATOM 795 O LEU A 51 11.865 -1.237 -35.309 1.00 22.12 O ATOM 796 CB LEU A 51 9.207 -1.068 -37.193 1.00 24.51 C ATOM 797 CG LEU A 51 9.744 -2.179 -38.095 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.251 -2.313 -37.939 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.054 -3.499 -37.784 1.00 23.22 C ATOM 0 H LEU A 51 7.769 -0.052 -35.451 1.00 22.50 H new ATOM 0 HA LEU A 51 9.553 -2.280 -35.453 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.128 -1.005 -37.331 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.627 -0.120 -37.529 1.00 24.51 H new ATOM 0 HG LEU A 51 9.529 -1.915 -39.131 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.615 -3.109 -38.589 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.730 -1.373 -38.213 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.490 -2.553 -36.903 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.449 -4.278 -38.436 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.237 -3.769 -36.744 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.981 -3.397 -37.949 1.00 23.22 H new ATOM 811 N LYS A 52 10.804 0.737 -35.117 1.00 72.22 N ATOM 812 CA LYS A 52 12.012 1.478 -34.776 1.00 13.04 C ATOM 813 C LYS A 52 12.530 1.071 -33.400 1.00 1.22 C ATOM 814 O LYS A 52 13.739 0.999 -33.177 1.00 22.51 O ATOM 815 CB LYS A 52 11.735 2.983 -34.802 1.00 14.41 C ATOM 816 CG LYS A 52 11.878 3.603 -36.182 1.00 64.25 C ATOM 817 CD LYS A 52 12.064 5.110 -36.100 1.00 12.02 C ATOM 818 CE LYS A 52 13.522 5.478 -35.870 1.00 32.31 C ATOM 819 NZ LYS A 52 13.748 6.946 -35.987 1.00 13.43 N ATOM 0 H LYS A 52 9.958 1.305 -35.153 1.00 72.22 H new ATOM 0 HA LYS A 52 12.775 1.241 -35.517 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.725 3.165 -34.434 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.419 3.482 -34.116 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.730 3.158 -36.695 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.993 3.376 -36.777 1.00 64.25 H new ATOM 0 HD2 LYS A 52 11.712 5.572 -37.022 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.454 5.510 -35.290 1.00 12.02 H new ATOM 0 HE2 LYS A 52 13.830 5.141 -34.880 1.00 32.31 H new ATOM 0 HE3 LYS A 52 14.147 4.955 -36.594 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 14.753 7.157 -35.824 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 13.478 7.264 -36.940 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 13.171 7.444 -35.279 1.00 13.43 H new ATOM 833 N THR A 53 11.609 0.802 -32.480 1.00 24.20 N ATOM 834 CA THR A 53 11.973 0.400 -31.128 1.00 34.52 C ATOM 835 C THR A 53 12.296 -1.088 -31.064 1.00 21.14 C ATOM 836 O THR A 53 13.146 -1.516 -30.282 1.00 72.44 O ATOM 837 CB THR A 53 10.844 0.712 -30.127 1.00 24.53 C ATOM 838 OG1 THR A 53 10.475 2.092 -30.219 1.00 13.12 O ATOM 839 CG2 THR A 53 11.279 0.392 -28.704 1.00 64.44 C ATOM 0 H THR A 53 10.604 0.856 -32.647 1.00 24.20 H new ATOM 0 HA THR A 53 12.860 0.973 -30.856 1.00 34.52 H new ATOM 0 HB THR A 53 9.985 0.089 -30.377 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.932 2.233 -31.023 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.466 0.620 -28.015 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.531 -0.666 -28.630 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.152 0.992 -28.447 1.00 64.44 H new ATOM 847 N VAL A 54 11.616 -1.872 -31.892 1.00 5.34 N ATOM 848 CA VAL A 54 11.833 -3.314 -31.932 1.00 43.11 C ATOM 849 C VAL A 54 11.908 -3.820 -33.368 1.00 50.42 C ATOM 850 O VAL A 54 11.086 -3.478 -34.218 1.00 41.32 O ATOM 851 CB VAL A 54 10.714 -4.070 -31.192 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.969 -5.569 -31.227 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.594 -3.575 -29.758 1.00 51.22 C ATOM 0 H VAL A 54 10.909 -1.534 -32.545 1.00 5.34 H new ATOM 0 HA VAL A 54 12.783 -3.504 -31.433 1.00 43.11 H new ATOM 0 HB VAL A 54 9.770 -3.874 -31.700 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.168 -6.087 -30.699 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.000 -5.909 -32.262 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.922 -5.787 -30.745 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.798 -4.120 -29.250 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.537 -3.739 -29.236 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.361 -2.510 -29.759 1.00 51.22 H new ATOM 863 N PRO A 55 12.920 -4.655 -33.649 1.00 2.25 N ATOM 864 CA PRO A 55 13.128 -5.227 -34.982 1.00 2.03 C ATOM 865 C PRO A 55 12.055 -6.246 -35.349 1.00 74.41 C ATOM 866 O PRO A 55 11.653 -7.064 -34.520 1.00 51.24 O ATOM 867 CB PRO A 55 14.495 -5.907 -34.867 1.00 33.24 C ATOM 868 CG PRO A 55 14.645 -6.212 -33.417 1.00 34.23 C ATOM 869 CD PRO A 55 13.939 -5.105 -32.685 1.00 62.25 C ATOM 0 HA PRO A 55 13.079 -4.469 -35.763 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.538 -6.815 -35.469 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.293 -5.253 -35.219 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.208 -7.181 -33.175 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.697 -6.258 -33.135 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.487 -5.460 -31.759 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.623 -4.300 -32.418 1.00 62.25 H new ATOM 877 N TRP A 56 11.597 -6.194 -36.595 1.00 2.13 N ATOM 878 CA TRP A 56 10.570 -7.113 -37.071 1.00 72.32 C ATOM 879 C TRP A 56 10.985 -8.561 -36.834 1.00 33.30 C ATOM 880 O TRP A 56 10.139 -9.442 -36.683 1.00 54.31 O ATOM 881 CB TRP A 56 10.300 -6.884 -38.558 1.00 43.12 C ATOM 882 CG TRP A 56 11.545 -6.876 -39.394 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.250 -5.781 -39.805 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.230 -8.018 -39.920 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.332 -6.173 -40.556 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.343 -7.540 -40.641 1.00 54.44 C ATOM 887 CE3 TRP A 56 12.013 -9.397 -39.853 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.232 -8.394 -41.287 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.896 -10.242 -40.495 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.995 -9.739 -41.205 1.00 14.15 C ATOM 0 H TRP A 56 11.921 -5.525 -37.294 1.00 2.13 H new ATOM 0 HA TRP A 56 9.656 -6.919 -36.510 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.631 -7.664 -38.923 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.781 -5.934 -38.684 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.995 -4.757 -39.574 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.016 -5.547 -40.981 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.169 -9.795 -39.309 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.080 -8.008 -41.834 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.737 -11.309 -40.449 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.668 -10.426 -41.697 1.00 14.15 H new ATOM 901 N GLU A 57 12.292 -8.801 -36.805 1.00 24.51 N ATOM 902 CA GLU A 57 12.818 -10.144 -36.587 1.00 64.15 C ATOM 903 C GLU A 57 12.232 -10.759 -35.321 1.00 74.11 C ATOM 904 O GLU A 57 12.017 -11.968 -35.249 1.00 43.02 O ATOM 905 CB GLU A 57 14.345 -10.109 -36.492 1.00 44.32 C ATOM 906 CG GLU A 57 14.860 -9.441 -35.228 1.00 74.32 C ATOM 907 CD GLU A 57 16.202 -8.764 -35.431 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.799 -8.944 -36.513 1.00 73.32 O ATOM 909 OE2 GLU A 57 16.652 -8.053 -34.508 1.00 35.22 O ATOM 0 H GLU A 57 13.006 -8.083 -36.930 1.00 24.51 H new ATOM 0 HA GLU A 57 12.529 -10.762 -37.437 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.727 -11.129 -36.536 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.743 -9.582 -37.359 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.133 -8.703 -34.889 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.949 -10.187 -34.438 1.00 74.32 H new ATOM 916 N GLN A 58 11.976 -9.917 -34.325 1.00 73.33 N ATOM 917 CA GLN A 58 11.416 -10.377 -33.060 1.00 13.45 C ATOM 918 C GLN A 58 10.089 -9.685 -32.767 1.00 24.32 C ATOM 919 O GLN A 58 9.704 -9.521 -31.608 1.00 52.14 O ATOM 920 CB GLN A 58 12.401 -10.121 -31.918 1.00 52.31 C ATOM 921 CG GLN A 58 13.547 -11.118 -31.868 1.00 2.22 C ATOM 922 CD GLN A 58 14.190 -11.200 -30.497 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.799 -10.239 -30.025 1.00 12.51 O ATOM 924 NE2 GLN A 58 14.058 -12.351 -29.848 1.00 11.14 N ATOM 0 H GLN A 58 12.148 -8.913 -34.370 1.00 73.33 H new ATOM 0 HA GLN A 58 11.235 -11.449 -33.141 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.809 -9.116 -32.020 1.00 52.31 H new ATOM 0 HB3 GLN A 58 11.862 -10.152 -30.971 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.179 -12.104 -32.152 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.301 -10.836 -32.603 1.00 2.22 H new ATOM 0 HE21 GLN A 58 13.545 -13.122 -30.276 1.00 11.14 H new ATOM 0 HE22 GLN A 58 14.469 -12.464 -28.922 1.00 11.14 H new ATOM 933 N LEU A 59 9.393 -9.281 -33.825 1.00 41.15 N ATOM 934 CA LEU A 59 8.108 -8.605 -33.681 1.00 23.12 C ATOM 935 C LEU A 59 6.980 -9.453 -34.260 1.00 51.11 C ATOM 936 O LEU A 59 5.825 -9.335 -33.847 1.00 4.12 O ATOM 937 CB LEU A 59 8.145 -7.244 -34.376 1.00 20.44 C ATOM 938 CG LEU A 59 7.154 -6.200 -33.862 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.472 -5.824 -32.423 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.166 -4.967 -34.753 1.00 61.44 C ATOM 0 H LEU A 59 9.697 -9.410 -34.790 1.00 41.15 H new ATOM 0 HA LEU A 59 7.919 -8.458 -32.618 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.152 -6.837 -34.281 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.962 -7.397 -35.440 1.00 20.44 H new ATOM 0 HG LEU A 59 6.154 -6.633 -33.890 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.756 -5.080 -32.075 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.409 -6.711 -31.793 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.479 -5.411 -32.369 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.454 -4.235 -34.371 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.166 -4.532 -34.759 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.887 -5.249 -35.768 1.00 61.44 H new ATOM 952 N LEU A 60 7.322 -10.309 -35.217 1.00 55.45 N ATOM 953 CA LEU A 60 6.337 -11.180 -35.852 1.00 62.31 C ATOM 954 C LEU A 60 6.635 -12.645 -35.554 1.00 44.10 C ATOM 955 O LEU A 60 7.792 -13.035 -35.404 1.00 61.30 O ATOM 956 CB LEU A 60 6.321 -10.947 -37.364 1.00 44.32 C ATOM 957 CG LEU A 60 7.424 -11.644 -38.161 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.842 -12.762 -39.011 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.167 -10.641 -39.031 1.00 71.44 C ATOM 0 H LEU A 60 8.272 -10.419 -35.570 1.00 55.45 H new ATOM 0 HA LEU A 60 5.356 -10.938 -35.444 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.357 -11.275 -37.752 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.390 -9.875 -37.547 1.00 44.32 H new ATOM 0 HG LEU A 60 8.134 -12.081 -37.459 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.641 -13.247 -39.571 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.355 -13.494 -38.366 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.111 -12.348 -39.706 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.949 -11.154 -39.591 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.469 -10.175 -39.726 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.617 -9.875 -38.400 1.00 71.44 H new ATOM 971 N ASN A 61 5.583 -13.453 -35.473 1.00 14.22 N ATOM 972 CA ASN A 61 5.732 -14.877 -35.196 1.00 33.24 C ATOM 973 C ASN A 61 6.732 -15.516 -36.153 1.00 54.15 C ATOM 974 O ASN A 61 6.799 -15.156 -37.328 1.00 1.23 O ATOM 975 CB ASN A 61 4.379 -15.584 -35.307 1.00 52.35 C ATOM 976 CG ASN A 61 3.556 -15.078 -36.476 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.492 -14.487 -36.291 1.00 42.20 O ATOM 978 ND2 ASN A 61 4.048 -15.307 -37.688 1.00 71.33 N ATOM 0 H ASN A 61 4.618 -13.146 -35.595 1.00 14.22 H new ATOM 0 HA ASN A 61 6.109 -14.986 -34.179 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.541 -16.656 -35.417 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.820 -15.439 -34.383 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.540 -14.989 -38.513 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.934 -15.801 -37.794 1.00 71.33 H new ATOM 985 N ARG A 62 7.507 -16.468 -35.643 1.00 14.43 N ATOM 986 CA ARG A 62 8.505 -17.157 -36.453 1.00 62.32 C ATOM 987 C ARG A 62 8.077 -18.594 -36.736 1.00 71.20 C ATOM 988 O ARG A 62 7.936 -18.994 -37.891 1.00 73.11 O ATOM 989 CB ARG A 62 9.862 -17.147 -35.745 1.00 1.22 C ATOM 990 CG ARG A 62 10.634 -15.851 -35.927 1.00 71.45 C ATOM 991 CD ARG A 62 10.370 -14.880 -34.787 1.00 72.42 C ATOM 992 NE ARG A 62 11.605 -14.453 -34.134 1.00 15.00 N ATOM 993 CZ ARG A 62 12.241 -15.175 -33.219 1.00 45.11 C ATOM 994 NH1 ARG A 62 11.761 -16.354 -32.848 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.360 -14.717 -32.670 1.00 4.03 N ATOM 0 H ARG A 62 7.463 -16.780 -34.673 1.00 14.43 H new ATOM 0 HA ARG A 62 8.594 -16.629 -37.402 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.708 -17.322 -34.680 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.464 -17.975 -36.120 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.701 -16.067 -35.983 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.352 -15.388 -36.873 1.00 71.45 H new ATOM 0 HD2 ARG A 62 9.842 -14.007 -35.170 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.716 -15.352 -34.053 1.00 72.42 H new ATOM 0 HE ARG A 62 12.001 -13.550 -34.395 1.00 15.00 H new ATOM 0 HH11 ARG A 62 10.901 -16.709 -33.266 1.00 32.15 H new ATOM 0 HH12 ARG A 62 12.252 -16.906 -32.145 1.00 32.15 H new ATOM 0 HH21 ARG A 62 13.732 -13.810 -32.951 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.848 -15.272 -31.967 1.00 4.03 H new ATOM 1009 N ALA A 63 7.872 -19.365 -35.673 1.00 13.41 N ATOM 1010 CA ALA A 63 7.459 -20.756 -35.808 1.00 11.25 C ATOM 1011 C ALA A 63 5.946 -20.868 -35.950 1.00 40.23 C ATOM 1012 O ALA A 63 5.429 -21.885 -36.410 1.00 15.22 O ATOM 1013 CB ALA A 63 7.940 -21.567 -34.612 1.00 4.01 C ATOM 0 H ALA A 63 7.985 -19.050 -34.710 1.00 13.41 H new ATOM 0 HA ALA A 63 7.913 -21.158 -36.714 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.625 -22.604 -34.725 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.028 -21.522 -34.556 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.512 -21.156 -33.698 1.00 4.01 H new ATOM 1019 N GLY A 64 5.239 -19.815 -35.551 1.00 15.42 N ATOM 1020 CA GLY A 64 3.790 -19.816 -35.643 1.00 64.14 C ATOM 1021 C GLY A 64 3.297 -20.188 -37.026 1.00 10.02 C ATOM 1022 O GLY A 64 3.918 -19.841 -38.030 1.00 62.15 O ATOM 0 H GLY A 64 5.643 -18.961 -35.166 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.383 -20.518 -34.915 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.412 -18.828 -35.379 1.00 64.14 H new ATOM 1026 N THR A 65 2.175 -20.901 -37.081 1.00 32.42 N ATOM 1027 CA THR A 65 1.599 -21.323 -38.353 1.00 14.14 C ATOM 1028 C THR A 65 1.438 -20.142 -39.302 1.00 2.22 C ATOM 1029 O THR A 65 1.540 -20.292 -40.521 1.00 74.54 O ATOM 1030 CB THR A 65 0.230 -21.999 -38.152 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.722 -21.042 -37.672 1.00 71.44 O ATOM 1032 CG2 THR A 65 0.335 -23.154 -37.168 1.00 24.43 C ATOM 0 H THR A 65 1.648 -21.198 -36.260 1.00 32.42 H new ATOM 0 HA THR A 65 2.290 -22.044 -38.790 1.00 14.14 H new ATOM 0 HB THR A 65 -0.101 -22.391 -39.113 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.591 -21.479 -37.548 1.00 71.44 H new ATOM 0 HG21 THR A 65 -0.645 -23.615 -37.043 1.00 24.43 H new ATOM 0 HG22 THR A 65 1.039 -23.894 -37.549 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.686 -22.781 -36.206 1.00 24.43 H new ATOM 1040 N THR A 66 1.184 -18.965 -38.738 1.00 75.01 N ATOM 1041 CA THR A 66 1.007 -17.758 -39.535 1.00 24.34 C ATOM 1042 C THR A 66 2.183 -17.547 -40.482 1.00 70.12 C ATOM 1043 O THR A 66 2.005 -17.121 -41.624 1.00 31.44 O ATOM 1044 CB THR A 66 0.853 -16.512 -38.642 1.00 53.23 C ATOM 1045 OG1 THR A 66 0.661 -16.908 -37.279 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.322 -15.662 -39.099 1.00 2.54 C ATOM 0 H THR A 66 1.096 -18.822 -37.732 1.00 75.01 H new ATOM 0 HA THR A 66 0.095 -17.895 -40.116 1.00 24.34 H new ATOM 0 HB THR A 66 1.764 -15.918 -38.723 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.149 -16.297 -36.689 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.411 -14.788 -38.454 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.159 -15.339 -40.127 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.239 -16.249 -39.044 1.00 2.54 H new ATOM 1054 N PHE A 67 3.385 -17.849 -40.003 1.00 31.33 N ATOM 1055 CA PHE A 67 4.591 -17.692 -40.808 1.00 51.22 C ATOM 1056 C PHE A 67 4.734 -18.841 -41.803 1.00 2.20 C ATOM 1057 O PHE A 67 5.208 -18.650 -42.922 1.00 62.22 O ATOM 1058 CB PHE A 67 5.826 -17.627 -39.907 1.00 14.00 C ATOM 1059 CG PHE A 67 7.106 -17.407 -40.661 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.774 -18.472 -41.244 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.642 -16.135 -40.786 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.953 -18.272 -41.938 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.820 -15.930 -41.479 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.476 -17.000 -42.056 1.00 75.02 C ATOM 0 H PHE A 67 3.550 -18.204 -39.061 1.00 31.33 H new ATOM 0 HA PHE A 67 4.507 -16.759 -41.366 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.696 -16.822 -39.184 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.902 -18.555 -39.340 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.369 -19.469 -41.155 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.133 -15.295 -40.337 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.464 -19.110 -42.387 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.227 -14.934 -41.569 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.396 -16.842 -42.598 1.00 75.02 H new ATOM 1074 N ARG A 68 4.319 -20.033 -41.385 1.00 35.20 N ATOM 1075 CA ARG A 68 4.402 -21.212 -42.238 1.00 13.24 C ATOM 1076 C ARG A 68 3.316 -21.185 -43.309 1.00 42.44 C ATOM 1077 O ARG A 68 3.351 -21.963 -44.263 1.00 51.04 O ATOM 1078 CB ARG A 68 4.274 -22.484 -41.398 1.00 65.20 C ATOM 1079 CG ARG A 68 5.611 -23.067 -40.970 1.00 50.00 C ATOM 1080 CD ARG A 68 5.429 -24.210 -39.983 1.00 44.21 C ATOM 1081 NE ARG A 68 6.633 -24.445 -39.190 1.00 1.04 N ATOM 1082 CZ ARG A 68 7.693 -25.105 -39.641 1.00 43.45 C ATOM 1083 NH1 ARG A 68 7.700 -25.592 -40.874 1.00 73.52 N ATOM 1084 NH2 ARG A 68 8.751 -25.278 -38.858 1.00 33.20 N ATOM 0 H ARG A 68 3.922 -20.207 -40.462 1.00 35.20 H new ATOM 0 HA ARG A 68 5.374 -21.206 -42.731 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.681 -22.265 -40.510 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.726 -23.233 -41.970 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.151 -23.424 -41.847 1.00 50.00 H new ATOM 0 HG3 ARG A 68 6.221 -22.286 -40.516 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.595 -23.985 -39.318 1.00 44.21 H new ATOM 0 HD3 ARG A 68 5.169 -25.119 -40.525 1.00 44.21 H new ATOM 0 HE ARG A 68 6.661 -24.082 -38.237 1.00 1.04 H new ATOM 0 HH11 ARG A 68 6.890 -25.460 -41.479 1.00 73.52 H new ATOM 0 HH12 ARG A 68 8.516 -26.099 -41.218 1.00 73.52 H new ATOM 0 HH21 ARG A 68 8.750 -24.904 -37.909 1.00 33.20 H new ATOM 0 HH22 ARG A 68 9.565 -25.785 -39.205 1.00 33.20 H new ATOM 1098 N LYS A 69 2.352 -20.287 -43.145 1.00 73.43 N ATOM 1099 CA LYS A 69 1.256 -20.157 -44.098 1.00 73.42 C ATOM 1100 C LYS A 69 1.778 -19.794 -45.484 1.00 41.12 C ATOM 1101 O LYS A 69 1.449 -20.450 -46.474 1.00 52.53 O ATOM 1102 CB LYS A 69 0.262 -19.094 -43.622 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.082 -19.160 -44.326 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.921 -17.925 -44.041 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.148 -17.866 -44.939 1.00 72.15 C ATOM 1106 NZ LYS A 69 -2.778 -17.784 -46.379 1.00 71.33 N ATOM 0 H LYS A 69 2.307 -19.637 -42.360 1.00 73.43 H new ATOM 0 HA LYS A 69 0.748 -21.119 -44.161 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.107 -19.208 -42.549 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.696 -18.107 -43.778 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.927 -19.256 -45.401 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.621 -20.050 -44.001 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.233 -17.929 -42.997 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -1.316 -17.030 -44.190 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.763 -18.750 -44.772 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.754 -17.001 -44.670 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -3.576 -17.396 -46.921 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -1.950 -17.164 -46.490 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -2.549 -18.735 -46.733 1.00 71.33 H new ATOM 1120 N LEU A 70 2.596 -18.750 -45.548 1.00 1.50 N ATOM 1121 CA LEU A 70 3.166 -18.301 -46.814 1.00 30.25 C ATOM 1122 C LEU A 70 4.060 -19.378 -47.420 1.00 52.51 C ATOM 1123 O LEU A 70 4.544 -20.277 -46.732 1.00 53.44 O ATOM 1124 CB LEU A 70 3.967 -17.014 -46.607 1.00 30.13 C ATOM 1125 CG LEU A 70 3.161 -15.715 -46.599 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.511 -15.483 -47.955 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.110 -15.747 -45.500 1.00 52.00 C ATOM 0 H LEU A 70 2.880 -18.198 -44.738 1.00 1.50 H new ATOM 0 HA LEU A 70 2.346 -18.104 -47.505 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.503 -17.091 -45.661 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.718 -16.947 -47.394 1.00 30.13 H new ATOM 0 HG LEU A 70 3.842 -14.888 -46.399 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.941 -14.554 -47.931 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.283 -15.416 -48.722 1.00 23.34 H new ATOM 0 HD13 LEU A 70 1.843 -16.313 -48.185 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.546 -14.814 -45.509 1.00 52.00 H new ATOM 0 HD22 LEU A 70 1.432 -16.583 -45.669 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.598 -15.866 -44.533 1.00 52.00 H new ATOM 1139 N PRO A 71 4.287 -19.285 -48.738 1.00 40.12 N ATOM 1140 CA PRO A 71 5.126 -20.242 -49.467 1.00 21.41 C ATOM 1141 C PRO A 71 6.602 -20.112 -49.105 1.00 4.43 C ATOM 1142 O PRO A 71 6.976 -19.272 -48.288 1.00 61.04 O ATOM 1143 CB PRO A 71 4.901 -19.868 -50.933 1.00 10.33 C ATOM 1144 CG PRO A 71 4.507 -18.431 -50.902 1.00 64.15 C ATOM 1145 CD PRO A 71 3.742 -18.239 -49.621 1.00 72.42 C ATOM 0 HA PRO A 71 4.865 -21.274 -49.232 1.00 21.41 H new ATOM 0 HB2 PRO A 71 5.805 -20.018 -51.523 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.121 -20.483 -51.383 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.384 -17.785 -50.933 1.00 64.15 H new ATOM 0 HG3 PRO A 71 3.893 -18.176 -51.765 1.00 64.15 H new ATOM 0 HD2 PRO A 71 3.896 -17.243 -49.206 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.669 -18.359 -49.772 1.00 72.42 H new ATOM 1153 N GLU A 72 7.433 -20.948 -49.719 1.00 64.42 N ATOM 1154 CA GLU A 72 8.867 -20.925 -49.460 1.00 2.33 C ATOM 1155 C GLU A 72 9.509 -19.678 -50.061 1.00 32.21 C ATOM 1156 O GLU A 72 10.481 -19.146 -49.523 1.00 64.11 O ATOM 1157 CB GLU A 72 9.531 -22.179 -50.030 1.00 3.30 C ATOM 1158 CG GLU A 72 10.999 -22.315 -49.660 1.00 14.02 C ATOM 1159 CD GLU A 72 11.617 -23.597 -50.180 1.00 23.34 C ATOM 1160 OE1 GLU A 72 11.177 -24.684 -49.748 1.00 2.14 O ATOM 1161 OE2 GLU A 72 12.540 -23.517 -51.016 1.00 4.25 O ATOM 0 H GLU A 72 7.138 -21.649 -50.399 1.00 64.42 H new ATOM 0 HA GLU A 72 9.014 -20.904 -48.380 1.00 2.33 H new ATOM 0 HB2 GLU A 72 8.993 -23.058 -49.675 1.00 3.30 H new ATOM 0 HB3 GLU A 72 9.439 -22.166 -51.116 1.00 3.30 H new ATOM 0 HG2 GLU A 72 11.550 -21.463 -50.058 1.00 14.02 H new ATOM 0 HG3 GLU A 72 11.101 -22.281 -48.575 1.00 14.02 H new ATOM 1168 N ASP A 73 8.960 -19.218 -51.180 1.00 54.44 N ATOM 1169 CA ASP A 73 9.477 -18.034 -51.855 1.00 22.54 C ATOM 1170 C ASP A 73 9.205 -16.777 -51.033 1.00 73.43 C ATOM 1171 O ASP A 73 10.096 -15.953 -50.828 1.00 20.35 O ATOM 1172 CB ASP A 73 8.849 -17.896 -53.243 1.00 11.40 C ATOM 1173 CG ASP A 73 9.385 -18.921 -54.224 1.00 35.22 C ATOM 1174 OD1 ASP A 73 9.110 -20.124 -54.035 1.00 64.21 O ATOM 1175 OD2 ASP A 73 10.080 -18.518 -55.182 1.00 60.34 O ATOM 0 H ASP A 73 8.157 -19.648 -51.639 1.00 54.44 H new ATOM 0 HA ASP A 73 10.555 -18.150 -51.963 1.00 22.54 H new ATOM 0 HB2 ASP A 73 7.768 -18.005 -53.162 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.040 -16.894 -53.628 1.00 11.40 H new ATOM 1180 N VAL A 74 7.968 -16.638 -50.567 1.00 22.21 N ATOM 1181 CA VAL A 74 7.578 -15.482 -49.769 1.00 51.24 C ATOM 1182 C VAL A 74 8.198 -15.541 -48.377 1.00 71.30 C ATOM 1183 O VAL A 74 8.642 -14.526 -47.840 1.00 64.14 O ATOM 1184 CB VAL A 74 6.047 -15.385 -49.632 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.665 -14.239 -48.708 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.401 -15.217 -50.999 1.00 20.32 C ATOM 0 H VAL A 74 7.219 -17.311 -50.728 1.00 22.21 H new ATOM 0 HA VAL A 74 7.946 -14.599 -50.291 1.00 51.24 H new ATOM 0 HB VAL A 74 5.679 -16.312 -49.192 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.580 -14.186 -48.623 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.098 -14.407 -47.722 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.043 -13.301 -49.116 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.319 -15.150 -50.884 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.773 -14.306 -51.468 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.647 -16.074 -51.626 1.00 20.32 H new ATOM 1196 N ARG A 75 8.227 -16.737 -47.799 1.00 32.22 N ATOM 1197 CA ARG A 75 8.793 -16.929 -46.469 1.00 2.22 C ATOM 1198 C ARG A 75 10.284 -16.608 -46.461 1.00 43.01 C ATOM 1199 O ARG A 75 10.849 -16.261 -45.424 1.00 52.32 O ATOM 1200 CB ARG A 75 8.567 -18.368 -45.998 1.00 70.20 C ATOM 1201 CG ARG A 75 7.168 -18.621 -45.462 1.00 33.21 C ATOM 1202 CD ARG A 75 6.955 -20.089 -45.132 1.00 64.25 C ATOM 1203 NE ARG A 75 8.043 -20.633 -44.323 1.00 60.01 N ATOM 1204 CZ ARG A 75 8.180 -21.925 -44.048 1.00 52.41 C ATOM 1205 NH1 ARG A 75 7.303 -22.803 -44.516 1.00 43.22 N ATOM 1206 NH2 ARG A 75 9.197 -22.342 -43.304 1.00 22.23 N ATOM 0 H ARG A 75 7.865 -17.588 -48.230 1.00 32.22 H new ATOM 0 HA ARG A 75 8.289 -16.247 -45.785 1.00 2.22 H new ATOM 0 HB2 ARG A 75 8.757 -19.047 -46.829 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.293 -18.605 -45.220 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.005 -18.019 -44.568 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.431 -18.302 -46.200 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.012 -20.207 -44.598 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.871 -20.660 -46.057 1.00 64.25 H new ATOM 0 HE ARG A 75 8.736 -19.985 -43.949 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.521 -22.487 -45.089 1.00 43.22 H new ATOM 0 HH12 ARG A 75 7.411 -23.795 -44.303 1.00 43.22 H new ATOM 0 HH21 ARG A 75 9.874 -21.670 -42.943 1.00 22.23 H new ATOM 0 HH22 ARG A 75 9.301 -23.335 -43.093 1.00 22.23 H new ATOM 1220 N SER A 76 10.916 -16.727 -47.624 1.00 13.42 N ATOM 1221 CA SER A 76 12.343 -16.454 -47.750 1.00 72.25 C ATOM 1222 C SER A 76 12.580 -15.061 -48.326 1.00 24.11 C ATOM 1223 O SER A 76 13.656 -14.487 -48.167 1.00 72.30 O ATOM 1224 CB SER A 76 13.008 -17.506 -48.638 1.00 52.34 C ATOM 1225 OG SER A 76 14.421 -17.394 -48.593 1.00 11.12 O ATOM 0 H SER A 76 10.463 -17.011 -48.493 1.00 13.42 H new ATOM 0 HA SER A 76 12.786 -16.497 -46.755 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.709 -18.502 -48.313 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.664 -17.389 -49.666 1.00 52.34 H new ATOM 0 HG SER A 76 14.822 -18.079 -49.168 1.00 11.12 H new ATOM 1231 N ASN A 77 11.566 -14.525 -48.998 1.00 61.11 N ATOM 1232 CA ASN A 77 11.663 -13.200 -49.599 1.00 63.22 C ATOM 1233 C ASN A 77 11.141 -12.130 -48.646 1.00 4.51 C ATOM 1234 O ASN A 77 10.425 -11.216 -49.053 1.00 30.21 O ATOM 1235 CB ASN A 77 10.880 -13.155 -50.913 1.00 34.15 C ATOM 1236 CG ASN A 77 11.588 -13.890 -52.035 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.808 -14.054 -52.010 1.00 62.33 O ATOM 1238 ND2 ASN A 77 10.824 -14.336 -53.024 1.00 63.33 N ATOM 0 H ASN A 77 10.668 -14.988 -49.140 1.00 61.11 H new ATOM 0 HA ASN A 77 12.714 -12.997 -49.803 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.894 -13.594 -50.760 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.724 -12.116 -51.204 1.00 34.15 H new ATOM 0 HD21 ASN A 77 11.244 -14.838 -53.806 1.00 63.33 H new ATOM 0 HD22 ASN A 77 9.817 -14.177 -53.002 1.00 63.33 H new ATOM 1245 N VAL A 78 11.507 -12.250 -47.373 1.00 54.35 N ATOM 1246 CA VAL A 78 11.078 -11.293 -46.360 1.00 25.14 C ATOM 1247 C VAL A 78 12.097 -10.171 -46.197 1.00 53.34 C ATOM 1248 O VAL A 78 13.294 -10.423 -46.057 1.00 13.31 O ATOM 1249 CB VAL A 78 10.860 -11.976 -44.998 1.00 24.53 C ATOM 1250 CG1 VAL A 78 12.159 -12.584 -44.492 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.296 -10.987 -43.990 1.00 61.01 C ATOM 0 H VAL A 78 12.100 -13.001 -47.019 1.00 54.35 H new ATOM 0 HA VAL A 78 10.132 -10.874 -46.702 1.00 25.14 H new ATOM 0 HB VAL A 78 10.136 -12.781 -45.126 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.986 -13.062 -43.528 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.516 -13.326 -45.206 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.908 -11.800 -44.378 1.00 61.22 H new ATOM 0 HG21 VAL A 78 10.148 -11.487 -43.033 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.994 -10.159 -43.863 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.341 -10.605 -44.351 1.00 61.01 H new ATOM 1261 N ASP A 79 11.615 -8.933 -46.217 1.00 75.02 N ATOM 1262 CA ASP A 79 12.484 -7.772 -46.070 1.00 32.13 C ATOM 1263 C ASP A 79 11.886 -6.766 -45.091 1.00 22.35 C ATOM 1264 O ASP A 79 10.783 -6.962 -44.582 1.00 11.20 O ATOM 1265 CB ASP A 79 12.716 -7.106 -47.427 1.00 14.11 C ATOM 1266 CG ASP A 79 12.803 -8.112 -48.558 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.719 -8.960 -48.529 1.00 63.45 O ATOM 1268 OD2 ASP A 79 11.955 -8.051 -49.473 1.00 12.03 O ATOM 0 H ASP A 79 10.627 -8.708 -46.334 1.00 75.02 H new ATOM 0 HA ASP A 79 13.440 -8.113 -45.674 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.905 -6.406 -47.629 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.637 -6.524 -47.390 1.00 14.11 H new ATOM 1273 N ALA A 80 12.621 -5.690 -44.832 1.00 44.44 N ATOM 1274 CA ALA A 80 12.163 -4.653 -43.916 1.00 1.03 C ATOM 1275 C ALA A 80 10.851 -4.040 -44.394 1.00 60.14 C ATOM 1276 O ALA A 80 9.833 -4.118 -43.708 1.00 3.35 O ATOM 1277 CB ALA A 80 13.227 -3.576 -43.763 1.00 43.13 C ATOM 0 H ALA A 80 13.537 -5.514 -45.244 1.00 44.44 H new ATOM 0 HA ALA A 80 11.986 -5.113 -42.944 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.871 -2.808 -43.076 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.141 -4.021 -43.369 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.432 -3.127 -44.735 1.00 43.13 H new ATOM 1283 N ALA A 81 10.883 -3.428 -45.573 1.00 21.32 N ATOM 1284 CA ALA A 81 9.697 -2.802 -46.143 1.00 55.31 C ATOM 1285 C ALA A 81 8.518 -3.770 -46.156 1.00 31.04 C ATOM 1286 O ALA A 81 7.458 -3.480 -45.602 1.00 33.41 O ATOM 1287 CB ALA A 81 9.987 -2.302 -47.549 1.00 13.35 C ATOM 0 H ALA A 81 11.719 -3.352 -46.153 1.00 21.32 H new ATOM 0 HA ALA A 81 9.429 -1.952 -45.516 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.092 -1.837 -47.962 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.794 -1.570 -47.516 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.284 -3.140 -48.179 1.00 13.35 H new ATOM 1293 N SER A 82 8.712 -4.921 -46.792 1.00 54.12 N ATOM 1294 CA SER A 82 7.663 -5.931 -46.882 1.00 14.13 C ATOM 1295 C SER A 82 7.133 -6.288 -45.497 1.00 30.51 C ATOM 1296 O SER A 82 5.926 -6.266 -45.257 1.00 1.33 O ATOM 1297 CB SER A 82 8.193 -7.186 -47.578 1.00 73.02 C ATOM 1298 OG SER A 82 7.628 -8.358 -47.014 1.00 11.21 O ATOM 0 H SER A 82 9.585 -5.178 -47.252 1.00 54.12 H new ATOM 0 HA SER A 82 6.843 -5.518 -47.470 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.960 -7.142 -48.642 1.00 73.02 H new ATOM 0 HB3 SER A 82 9.279 -7.223 -47.491 1.00 73.02 H new ATOM 0 HG SER A 82 7.981 -9.147 -47.477 1.00 11.21 H new ATOM 1304 N ALA A 83 8.046 -6.618 -44.589 1.00 34.11 N ATOM 1305 CA ALA A 83 7.673 -6.979 -43.227 1.00 62.10 C ATOM 1306 C ALA A 83 6.760 -5.925 -42.610 1.00 53.55 C ATOM 1307 O ALA A 83 5.726 -6.250 -42.027 1.00 1.10 O ATOM 1308 CB ALA A 83 8.916 -7.170 -42.371 1.00 14.31 C ATOM 0 H ALA A 83 9.049 -6.643 -44.772 1.00 34.11 H new ATOM 0 HA ALA A 83 7.124 -7.920 -43.265 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.621 -7.439 -41.357 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.530 -7.965 -42.794 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.488 -6.243 -42.348 1.00 14.31 H new ATOM 1314 N ARG A 84 7.151 -4.661 -42.742 1.00 14.24 N ATOM 1315 CA ARG A 84 6.368 -3.559 -42.195 1.00 42.23 C ATOM 1316 C ARG A 84 5.003 -3.473 -42.872 1.00 55.53 C ATOM 1317 O ARG A 84 4.004 -3.143 -42.234 1.00 43.13 O ATOM 1318 CB ARG A 84 7.119 -2.238 -42.369 1.00 72.41 C ATOM 1319 CG ARG A 84 8.320 -2.094 -41.449 1.00 43.35 C ATOM 1320 CD ARG A 84 8.851 -0.669 -41.445 1.00 30.14 C ATOM 1321 NE ARG A 84 9.674 -0.388 -42.618 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.060 0.833 -42.969 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.700 1.881 -42.241 1.00 30.24 N ATOM 1324 NH2 ARG A 84 10.808 1.008 -44.050 1.00 14.35 N ATOM 0 H ARG A 84 8.004 -4.375 -43.222 1.00 14.24 H new ATOM 0 HA ARG A 84 6.216 -3.746 -41.132 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.452 -2.153 -43.403 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.431 -1.412 -42.187 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.040 -2.382 -40.436 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.108 -2.776 -41.768 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.015 0.029 -41.413 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.439 -0.504 -40.542 1.00 30.14 H new ATOM 0 HE ARG A 84 9.968 -1.173 -43.200 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.125 1.751 -41.409 1.00 30.24 H new ATOM 0 HH12 ARG A 84 9.998 2.818 -42.513 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.087 0.204 -44.613 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.104 1.946 -44.319 1.00 14.35 H new ATOM 1338 N GLU A 85 4.969 -3.774 -44.166 1.00 51.11 N ATOM 1339 CA GLU A 85 3.728 -3.729 -44.929 1.00 55.12 C ATOM 1340 C GLU A 85 2.793 -4.862 -44.512 1.00 1.33 C ATOM 1341 O GLU A 85 1.581 -4.673 -44.401 1.00 32.23 O ATOM 1342 CB GLU A 85 4.019 -3.820 -46.428 1.00 75.34 C ATOM 1343 CG GLU A 85 4.891 -2.688 -46.947 1.00 45.21 C ATOM 1344 CD GLU A 85 4.080 -1.522 -47.477 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.551 -0.745 -46.654 1.00 42.31 O ATOM 1346 OE2 GLU A 85 3.971 -1.388 -48.713 1.00 3.32 O ATOM 0 H GLU A 85 5.787 -4.052 -44.708 1.00 51.11 H new ATOM 0 HA GLU A 85 3.238 -2.778 -44.720 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.509 -4.771 -46.638 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.075 -3.821 -46.974 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.541 -2.339 -46.145 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.537 -3.066 -47.739 1.00 45.21 H new ATOM 1353 N LEU A 86 3.364 -6.039 -44.284 1.00 22.40 N ATOM 1354 CA LEU A 86 2.585 -7.204 -43.881 1.00 21.33 C ATOM 1355 C LEU A 86 1.993 -7.007 -42.489 1.00 20.32 C ATOM 1356 O LEU A 86 0.823 -7.308 -42.253 1.00 2.34 O ATOM 1357 CB LEU A 86 3.456 -8.460 -43.903 1.00 74.11 C ATOM 1358 CG LEU A 86 3.907 -8.939 -45.284 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.213 -9.711 -45.181 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.828 -9.796 -45.929 1.00 0.22 C ATOM 0 H LEU A 86 4.365 -6.212 -44.372 1.00 22.40 H new ATOM 0 HA LEU A 86 1.767 -7.326 -44.591 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.343 -8.274 -43.297 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.905 -9.268 -43.422 1.00 74.11 H new ATOM 0 HG LEU A 86 4.074 -8.065 -45.914 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.518 -10.044 -46.173 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.985 -9.066 -44.761 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.073 -10.578 -44.535 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.166 -10.128 -46.911 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.629 -10.664 -45.301 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.915 -9.210 -46.038 1.00 0.22 H new ATOM 1372 N MET A 87 2.808 -6.497 -41.571 1.00 55.22 N ATOM 1373 CA MET A 87 2.364 -6.257 -40.203 1.00 3.41 C ATOM 1374 C MET A 87 1.414 -5.065 -40.142 1.00 3.31 C ATOM 1375 O MET A 87 0.494 -5.033 -39.323 1.00 33.02 O ATOM 1376 CB MET A 87 3.567 -6.014 -39.289 1.00 13.51 C ATOM 1377 CG MET A 87 4.530 -7.188 -39.228 1.00 72.40 C ATOM 1378 SD MET A 87 3.770 -8.676 -38.551 1.00 23.01 S ATOM 1379 CE MET A 87 3.224 -9.489 -40.051 1.00 34.44 C ATOM 0 H MET A 87 3.779 -6.242 -41.750 1.00 55.22 H new ATOM 0 HA MET A 87 1.830 -7.143 -39.859 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.104 -5.131 -39.636 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.210 -5.795 -38.283 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.903 -7.399 -40.230 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.391 -6.915 -38.618 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.417 -10.559 -39.976 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.156 -9.322 -40.187 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.767 -9.082 -40.904 1.00 34.44 H new ATOM 1389 N LEU A 88 1.641 -4.088 -41.012 1.00 0.04 N ATOM 1390 CA LEU A 88 0.806 -2.892 -41.056 1.00 32.32 C ATOM 1391 C LEU A 88 -0.606 -3.233 -41.521 1.00 31.41 C ATOM 1392 O LEU A 88 -1.580 -2.984 -40.812 1.00 51.04 O ATOM 1393 CB LEU A 88 1.424 -1.848 -41.987 1.00 71.42 C ATOM 1394 CG LEU A 88 0.649 -0.539 -42.135 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.599 0.614 -42.424 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.397 -0.659 -43.234 1.00 33.15 C ATOM 0 H LEU A 88 2.397 -4.100 -41.697 1.00 0.04 H new ATOM 0 HA LEU A 88 0.748 -2.481 -40.048 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.426 -1.615 -41.625 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.538 -2.293 -42.975 1.00 71.42 H new ATOM 0 HG LEU A 88 0.137 -0.334 -41.195 1.00 15.31 H new ATOM 0 HD11 LEU A 88 1.030 1.538 -42.526 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.309 0.715 -41.603 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.140 0.417 -43.350 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.939 0.282 -43.325 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.094 -0.888 -44.180 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.096 -1.457 -42.985 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.708 -3.805 -42.716 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.000 -4.183 -43.274 1.00 72.31 C ATOM 1410 C ALA A 89 -2.579 -5.394 -42.547 1.00 53.31 C ATOM 1411 O ALA A 89 -3.796 -5.553 -42.462 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.869 -4.471 -44.763 1.00 53.34 C ATOM 0 H ALA A 89 0.089 -4.017 -43.316 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.686 -3.347 -43.136 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.842 -4.752 -45.166 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.508 -3.580 -45.276 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.164 -5.288 -44.915 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.698 -6.242 -42.029 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.123 -7.440 -41.312 1.00 12.45 C ATOM 1420 C GLN A 90 -1.399 -7.558 -39.975 1.00 41.24 C ATOM 1421 O GLN A 90 -0.492 -8.374 -39.803 1.00 10.03 O ATOM 1422 CB GLN A 90 -1.863 -8.687 -42.159 1.00 3.41 C ATOM 1423 CG GLN A 90 -3.076 -9.148 -42.949 1.00 23.53 C ATOM 1424 CD GLN A 90 -3.101 -10.650 -43.157 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -4.127 -11.300 -42.957 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.966 -11.210 -43.562 1.00 33.14 N ATOM 0 H GLN A 90 -0.687 -6.123 -42.091 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.193 -7.358 -41.120 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -1.045 -8.483 -42.850 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -1.535 -9.497 -41.508 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -3.983 -8.842 -42.427 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -3.084 -8.651 -43.919 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.139 -10.633 -43.716 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.922 -12.217 -43.719 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.805 -6.727 -39.005 1.00 51.14 N ATOM 1436 CA PRO A 91 -1.207 -6.719 -37.666 1.00 32.24 C ATOM 1437 C PRO A 91 -1.554 -7.974 -36.871 1.00 54.10 C ATOM 1438 O PRO A 91 -0.996 -8.215 -35.801 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.824 -5.482 -37.009 1.00 71.34 C ATOM 1440 CG PRO A 91 -3.114 -5.276 -37.726 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.879 -5.728 -39.141 1.00 34.13 C ATOM 0 HA PRO A 91 -0.118 -6.698 -37.705 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.985 -5.639 -35.942 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -1.172 -4.614 -37.109 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.915 -5.851 -37.261 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.414 -4.229 -37.696 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.778 -6.161 -39.579 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.579 -4.900 -39.783 1.00 34.13 H new ATOM 1449 N SER A 92 -2.477 -8.769 -37.401 1.00 20.51 N ATOM 1450 CA SER A 92 -2.901 -9.996 -36.737 1.00 11.34 C ATOM 1451 C SER A 92 -1.730 -10.964 -36.588 1.00 43.02 C ATOM 1452 O SER A 92 -1.757 -11.863 -35.748 1.00 60.53 O ATOM 1453 CB SER A 92 -4.030 -10.663 -37.524 1.00 1.20 C ATOM 1454 OG SER A 92 -3.568 -11.138 -38.777 1.00 33.02 O ATOM 0 H SER A 92 -2.946 -8.586 -38.288 1.00 20.51 H new ATOM 0 HA SER A 92 -3.265 -9.735 -35.743 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.440 -11.492 -36.946 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.840 -9.950 -37.678 1.00 1.20 H new ATOM 0 HG SER A 92 -4.308 -11.561 -39.260 1.00 33.02 H new ATOM 1460 N MET A 93 -0.703 -10.772 -37.409 1.00 64.00 N ATOM 1461 CA MET A 93 0.478 -11.626 -37.368 1.00 11.03 C ATOM 1462 C MET A 93 1.444 -11.166 -36.282 1.00 22.03 C ATOM 1463 O MET A 93 2.309 -11.925 -35.843 1.00 62.52 O ATOM 1464 CB MET A 93 1.182 -11.625 -38.727 1.00 21.24 C ATOM 1465 CG MET A 93 0.642 -12.668 -39.692 1.00 71.33 C ATOM 1466 SD MET A 93 0.724 -12.131 -41.412 1.00 63.23 S ATOM 1467 CE MET A 93 0.717 -13.709 -42.259 1.00 50.03 C ATOM 0 H MET A 93 -0.665 -10.033 -38.111 1.00 64.00 H new ATOM 0 HA MET A 93 0.154 -12.640 -37.135 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.082 -10.638 -39.178 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.247 -11.799 -38.575 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.208 -13.592 -39.576 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.393 -12.894 -39.435 1.00 71.33 H new ATOM 0 HE1 MET A 93 0.942 -13.556 -43.315 1.00 50.03 H new ATOM 0 HE2 MET A 93 1.471 -14.362 -41.818 1.00 50.03 H new ATOM 0 HE3 MET A 93 -0.265 -14.171 -42.160 1.00 50.03 H new ATOM 1477 N VAL A 94 1.292 -9.917 -35.850 1.00 52.44 N ATOM 1478 CA VAL A 94 2.151 -9.356 -34.814 1.00 10.35 C ATOM 1479 C VAL A 94 2.207 -10.269 -33.594 1.00 43.41 C ATOM 1480 O VAL A 94 1.216 -10.902 -33.233 1.00 40.44 O ATOM 1481 CB VAL A 94 1.666 -7.961 -34.378 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.550 -7.411 -33.269 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.633 -7.013 -35.566 1.00 35.21 C ATOM 0 H VAL A 94 0.582 -9.275 -36.202 1.00 52.44 H new ATOM 0 HA VAL A 94 3.149 -9.267 -35.243 1.00 10.35 H new ATOM 0 HB VAL A 94 0.652 -8.053 -33.989 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.192 -6.425 -32.974 1.00 75.05 H new ATOM 0 HG12 VAL A 94 2.516 -8.081 -32.410 1.00 75.05 H new ATOM 0 HG13 VAL A 94 3.576 -7.332 -33.627 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.288 -6.032 -35.239 1.00 35.21 H new ATOM 0 HG22 VAL A 94 2.634 -6.923 -35.988 1.00 35.21 H new ATOM 0 HG23 VAL A 94 0.953 -7.403 -36.324 1.00 35.21 H new ATOM 1493 N LYS A 95 3.374 -10.330 -32.962 1.00 21.24 N ATOM 1494 CA LYS A 95 3.561 -11.162 -31.780 1.00 1.24 C ATOM 1495 C LYS A 95 2.667 -10.693 -30.636 1.00 13.35 C ATOM 1496 O LYS A 95 2.204 -9.552 -30.626 1.00 52.22 O ATOM 1497 CB LYS A 95 5.027 -11.136 -31.339 1.00 62.41 C ATOM 1498 CG LYS A 95 5.896 -12.152 -32.059 1.00 12.43 C ATOM 1499 CD LYS A 95 7.371 -11.929 -31.767 1.00 23.31 C ATOM 1500 CE LYS A 95 8.200 -13.157 -32.114 1.00 33.13 C ATOM 1501 NZ LYS A 95 8.008 -14.253 -31.124 1.00 64.41 N ATOM 0 H LYS A 95 4.205 -9.813 -33.249 1.00 21.24 H new ATOM 0 HA LYS A 95 3.283 -12.184 -32.039 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.432 -10.138 -31.510 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.078 -11.322 -30.266 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.611 -13.158 -31.752 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.722 -12.085 -33.133 1.00 12.43 H new ATOM 0 HD2 LYS A 95 7.731 -11.073 -32.338 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.502 -11.687 -30.712 1.00 23.31 H new ATOM 0 HE2 LYS A 95 7.925 -13.512 -33.107 1.00 33.13 H new ATOM 0 HE3 LYS A 95 9.255 -12.884 -32.154 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 8.751 -14.970 -31.251 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 8.063 -13.864 -30.161 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.076 -14.691 -31.268 1.00 64.41 H new ATOM 1515 N ARG A 96 2.430 -11.580 -29.675 1.00 23.43 N ATOM 1516 CA ARG A 96 1.591 -11.256 -28.527 1.00 52.42 C ATOM 1517 C ARG A 96 1.522 -12.431 -27.556 1.00 73.24 C ATOM 1518 O ARG A 96 1.786 -13.579 -27.913 1.00 25.00 O ATOM 1519 CB ARG A 96 0.183 -10.877 -28.988 1.00 2.41 C ATOM 1520 CG ARG A 96 -0.818 -12.015 -28.885 1.00 32.35 C ATOM 1521 CD ARG A 96 -2.167 -11.625 -29.468 1.00 1.31 C ATOM 1522 NE ARG A 96 -2.038 -11.031 -30.797 1.00 4.33 N ATOM 1523 CZ ARG A 96 -1.712 -11.724 -31.882 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -1.482 -13.027 -31.798 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.615 -11.112 -33.056 1.00 31.42 N ATOM 0 H ARG A 96 2.807 -12.528 -29.668 1.00 23.43 H new ATOM 0 HA ARG A 96 2.037 -10.406 -28.011 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.172 -10.037 -28.391 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.228 -10.536 -30.022 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.432 -12.889 -29.410 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -0.941 -12.300 -27.840 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -2.806 -12.506 -29.525 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -2.659 -10.917 -28.801 1.00 1.31 H new ATOM 0 HE ARG A 96 -2.207 -10.030 -30.897 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -1.555 -13.501 -30.898 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -1.232 -13.556 -32.634 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.791 -10.110 -33.125 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.365 -11.644 -33.889 1.00 31.42 H new ATOM 1539 N PRO A 97 1.157 -12.138 -26.299 1.00 5.45 N ATOM 1540 CA PRO A 97 0.842 -10.775 -25.862 1.00 55.21 C ATOM 1541 C PRO A 97 2.075 -9.879 -25.818 1.00 1.12 C ATOM 1542 O PRO A 97 3.198 -10.360 -25.669 1.00 11.34 O ATOM 1543 CB PRO A 97 0.274 -10.975 -24.455 1.00 63.23 C ATOM 1544 CG PRO A 97 0.876 -12.254 -23.983 1.00 53.40 C ATOM 1545 CD PRO A 97 1.028 -13.116 -25.205 1.00 14.11 C ATOM 0 HA PRO A 97 0.155 -10.277 -26.546 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.540 -10.146 -23.799 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.814 -11.032 -24.472 1.00 63.23 H new ATOM 0 HG2 PRO A 97 1.841 -12.079 -23.507 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.238 -12.736 -23.242 1.00 53.40 H new ATOM 0 HD2 PRO A 97 1.905 -13.760 -25.136 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.165 -13.767 -25.347 1.00 14.11 H new ATOM 1553 N VAL A 98 1.858 -8.574 -25.947 1.00 75.11 N ATOM 1554 CA VAL A 98 2.953 -7.611 -25.919 1.00 22.51 C ATOM 1555 C VAL A 98 2.759 -6.590 -24.804 1.00 20.24 C ATOM 1556 O VAL A 98 1.688 -5.996 -24.670 1.00 74.34 O ATOM 1557 CB VAL A 98 3.081 -6.869 -27.263 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.232 -5.875 -27.217 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.266 -7.859 -28.402 1.00 73.13 C ATOM 0 H VAL A 98 0.935 -8.159 -26.072 1.00 75.11 H new ATOM 0 HA VAL A 98 3.867 -8.176 -25.735 1.00 22.51 H new ATOM 0 HB VAL A 98 2.160 -6.314 -27.441 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.307 -5.361 -28.175 1.00 65.22 H new ATOM 0 HG12 VAL A 98 4.052 -5.146 -26.427 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.163 -6.405 -27.016 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.355 -7.318 -29.344 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.170 -8.443 -28.233 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.406 -8.527 -28.447 1.00 73.13 H new ATOM 1569 N LEU A 99 3.801 -6.390 -24.005 1.00 44.10 N ATOM 1570 CA LEU A 99 3.747 -5.439 -22.900 1.00 22.24 C ATOM 1571 C LEU A 99 4.666 -4.249 -23.159 1.00 30.44 C ATOM 1572 O LEU A 99 5.869 -4.416 -23.357 1.00 63.23 O ATOM 1573 CB LEU A 99 4.139 -6.126 -21.590 1.00 31.22 C ATOM 1574 CG LEU A 99 2.996 -6.759 -20.797 1.00 2.12 C ATOM 1575 CD1 LEU A 99 2.590 -8.089 -21.414 1.00 64.20 C ATOM 1576 CD2 LEU A 99 3.397 -6.946 -19.341 1.00 2.44 C ATOM 0 H LEU A 99 4.694 -6.874 -24.102 1.00 44.10 H new ATOM 0 HA LEU A 99 2.724 -5.072 -22.819 1.00 22.24 H new ATOM 0 HB2 LEU A 99 4.872 -6.901 -21.814 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.635 -5.394 -20.953 1.00 31.22 H new ATOM 0 HG LEU A 99 2.138 -6.087 -20.834 1.00 2.12 H new ATOM 0 HD11 LEU A 99 1.775 -8.525 -20.836 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.261 -7.928 -22.441 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.443 -8.768 -21.408 1.00 64.20 H new ATOM 0 HD21 LEU A 99 2.571 -7.398 -18.791 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.270 -7.597 -19.285 1.00 2.44 H new ATOM 0 HD23 LEU A 99 3.638 -5.978 -18.903 1.00 2.44 H new ATOM 1588 N GLU A 100 4.090 -3.052 -23.154 1.00 64.22 N ATOM 1589 CA GLU A 100 4.859 -1.835 -23.387 1.00 43.31 C ATOM 1590 C GLU A 100 5.115 -1.094 -22.078 1.00 30.33 C ATOM 1591 O GLU A 100 4.188 -0.820 -21.316 1.00 5.33 O ATOM 1592 CB GLU A 100 4.123 -0.919 -24.368 1.00 12.53 C ATOM 1593 CG GLU A 100 5.047 -0.023 -25.175 1.00 51.33 C ATOM 1594 CD GLU A 100 4.374 1.263 -25.615 1.00 23.35 C ATOM 1595 OE1 GLU A 100 4.252 2.185 -24.781 1.00 13.23 O ATOM 1596 OE2 GLU A 100 3.971 1.348 -26.794 1.00 3.32 O ATOM 0 H GLU A 100 3.095 -2.898 -22.991 1.00 64.22 H new ATOM 0 HA GLU A 100 5.819 -2.120 -23.817 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.535 -1.531 -25.052 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.420 -0.297 -23.814 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.927 0.217 -24.578 1.00 51.33 H new ATOM 0 HG3 GLU A 100 5.397 -0.565 -26.054 1.00 51.33 H new ATOM 1603 N ARG A 101 6.379 -0.772 -21.823 1.00 4.25 N ATOM 1604 CA ARG A 101 6.758 -0.065 -20.607 1.00 32.41 C ATOM 1605 C ARG A 101 7.804 1.005 -20.903 1.00 74.21 C ATOM 1606 O ARG A 101 8.959 0.693 -21.196 1.00 12.55 O ATOM 1607 CB ARG A 101 7.299 -1.048 -19.567 1.00 44.21 C ATOM 1608 CG ARG A 101 7.110 -0.584 -18.132 1.00 1.21 C ATOM 1609 CD ARG A 101 7.755 -1.545 -17.145 1.00 54.35 C ATOM 1610 NE ARG A 101 9.213 -1.444 -17.159 1.00 52.24 N ATOM 1611 CZ ARG A 101 9.997 -2.018 -16.252 1.00 25.22 C ATOM 1612 NH1 ARG A 101 9.466 -2.728 -15.265 1.00 24.34 N ATOM 1613 NH2 ARG A 101 11.314 -1.881 -16.330 1.00 11.44 N ATOM 0 H ARG A 101 7.158 -0.990 -22.444 1.00 4.25 H new ATOM 0 HA ARG A 101 5.868 0.422 -20.208 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.803 -2.010 -19.697 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.361 -1.209 -19.751 1.00 44.21 H new ATOM 0 HG2 ARG A 101 7.542 0.409 -18.010 1.00 1.21 H new ATOM 0 HG3 ARG A 101 6.046 -0.497 -17.914 1.00 1.21 H new ATOM 0 HD2 ARG A 101 7.386 -1.336 -16.141 1.00 54.35 H new ATOM 0 HD3 ARG A 101 7.460 -2.566 -17.387 1.00 54.35 H new ATOM 0 HE ARG A 101 9.652 -0.904 -17.905 1.00 52.24 H new ATOM 0 HH11 ARG A 101 8.454 -2.835 -15.201 1.00 24.34 H new ATOM 0 HH12 ARG A 101 10.070 -3.167 -14.570 1.00 24.34 H new ATOM 0 HH21 ARG A 101 11.726 -1.335 -17.086 1.00 11.44 H new ATOM 0 HH22 ARG A 101 11.915 -2.322 -15.633 1.00 11.44 H new ATOM 1627 N ASP A 102 7.393 2.266 -20.825 1.00 73.03 N ATOM 1628 CA ASP A 102 8.295 3.381 -21.085 1.00 63.23 C ATOM 1629 C ASP A 102 8.895 3.282 -22.483 1.00 24.24 C ATOM 1630 O ASP A 102 9.985 3.791 -22.740 1.00 10.42 O ATOM 1631 CB ASP A 102 9.410 3.418 -20.039 1.00 41.13 C ATOM 1632 CG ASP A 102 9.998 4.804 -19.866 1.00 72.41 C ATOM 1633 OD1 ASP A 102 9.292 5.789 -20.169 1.00 51.21 O ATOM 1634 OD2 ASP A 102 11.164 4.905 -19.429 1.00 22.03 O ATOM 0 H ASP A 102 6.441 2.541 -20.584 1.00 73.03 H new ATOM 0 HA ASP A 102 7.718 4.304 -21.022 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.018 3.071 -19.083 1.00 41.13 H new ATOM 0 HB3 ASP A 102 10.200 2.726 -20.330 1.00 41.13 H new ATOM 1639 N GLY A 103 8.175 2.622 -23.385 1.00 2.43 N ATOM 1640 CA GLY A 103 8.653 2.466 -24.747 1.00 31.54 C ATOM 1641 C GLY A 103 9.165 1.067 -25.024 1.00 30.50 C ATOM 1642 O GLY A 103 9.036 0.559 -26.139 1.00 10.41 O ATOM 0 H GLY A 103 7.269 2.192 -23.197 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.845 2.698 -25.441 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.450 3.185 -24.934 1.00 31.54 H new ATOM 1646 N LYS A 104 9.750 0.439 -24.009 1.00 25.14 N ATOM 1647 CA LYS A 104 10.285 -0.909 -24.149 1.00 25.34 C ATOM 1648 C LYS A 104 9.179 -1.900 -24.498 1.00 14.23 C ATOM 1649 O LYS A 104 8.091 -1.861 -23.922 1.00 31.24 O ATOM 1650 CB LYS A 104 10.980 -1.341 -22.855 1.00 11.12 C ATOM 1651 CG LYS A 104 12.103 -0.411 -22.429 1.00 33.24 C ATOM 1652 CD LYS A 104 13.310 -0.540 -23.342 1.00 41.15 C ATOM 1653 CE LYS A 104 14.242 -1.650 -22.882 1.00 4.32 C ATOM 1654 NZ LYS A 104 14.963 -1.286 -21.630 1.00 32.45 N ATOM 0 H LYS A 104 9.865 0.843 -23.080 1.00 25.14 H new ATOM 0 HA LYS A 104 11.012 -0.901 -24.961 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.241 -1.395 -22.056 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.381 -2.346 -22.986 1.00 11.12 H new ATOM 0 HG2 LYS A 104 11.747 0.619 -22.439 1.00 33.24 H new ATOM 0 HG3 LYS A 104 12.395 -0.638 -21.404 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.977 -0.742 -24.360 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.852 0.405 -23.365 1.00 41.15 H new ATOM 0 HE2 LYS A 104 13.668 -2.562 -22.718 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.966 -1.866 -23.668 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 15.800 -1.894 -21.522 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.262 -0.291 -21.678 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 14.331 -1.418 -20.815 1.00 32.45 H new ATOM 1668 N LEU A 105 9.463 -2.787 -25.445 1.00 31.53 N ATOM 1669 CA LEU A 105 8.493 -3.789 -25.871 1.00 20.33 C ATOM 1670 C LEU A 105 8.914 -5.183 -25.415 1.00 75.31 C ATOM 1671 O LEU A 105 9.985 -5.669 -25.778 1.00 23.42 O ATOM 1672 CB LEU A 105 8.338 -3.763 -27.392 1.00 32.41 C ATOM 1673 CG LEU A 105 6.951 -4.118 -27.932 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.907 -3.151 -27.396 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.954 -4.113 -29.454 1.00 22.22 C ATOM 0 H LEU A 105 10.358 -2.833 -25.933 1.00 31.53 H new ATOM 0 HA LEU A 105 7.535 -3.550 -25.410 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.600 -2.766 -27.747 1.00 32.41 H new ATOM 0 HB3 LEU A 105 9.062 -4.455 -27.823 1.00 32.41 H new ATOM 0 HG LEU A 105 6.695 -5.122 -27.593 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.927 -3.419 -27.790 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.887 -3.204 -26.307 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.158 -2.136 -27.705 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.960 -4.368 -29.821 1.00 22.22 H new ATOM 0 HD22 LEU A 105 7.231 -3.122 -29.814 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.674 -4.846 -29.819 1.00 22.22 H new ATOM 1687 N MET A 106 8.062 -5.822 -24.619 1.00 74.33 N ATOM 1688 CA MET A 106 8.345 -7.161 -24.117 1.00 20.31 C ATOM 1689 C MET A 106 7.356 -8.175 -24.683 1.00 43.33 C ATOM 1690 O MET A 106 6.161 -7.899 -24.787 1.00 3.02 O ATOM 1691 CB MET A 106 8.291 -7.178 -22.587 1.00 44.33 C ATOM 1692 CG MET A 106 9.652 -7.021 -21.929 1.00 71.01 C ATOM 1693 SD MET A 106 10.462 -8.602 -21.623 1.00 50.21 S ATOM 1694 CE MET A 106 11.838 -8.084 -20.599 1.00 61.54 C ATOM 0 H MET A 106 7.171 -5.434 -24.308 1.00 74.33 H new ATOM 0 HA MET A 106 9.348 -7.438 -24.441 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.637 -6.376 -22.246 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.843 -8.116 -22.258 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.290 -6.407 -22.565 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.536 -6.488 -20.985 1.00 71.01 H new ATOM 0 HE1 MET A 106 12.436 -8.953 -20.326 1.00 61.54 H new ATOM 0 HE2 MET A 106 12.457 -7.377 -21.151 1.00 61.54 H new ATOM 0 HE3 MET A 106 11.459 -7.606 -19.695 1.00 61.54 H new ATOM 1704 N VAL A 107 7.862 -9.348 -25.049 1.00 75.01 N ATOM 1705 CA VAL A 107 7.022 -10.403 -25.605 1.00 61.12 C ATOM 1706 C VAL A 107 6.525 -11.342 -24.512 1.00 44.11 C ATOM 1707 O VAL A 107 7.235 -11.621 -23.547 1.00 61.33 O ATOM 1708 CB VAL A 107 7.779 -11.223 -26.666 1.00 11.11 C ATOM 1709 CG1 VAL A 107 6.836 -12.188 -27.368 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.455 -10.300 -27.669 1.00 1.13 C ATOM 0 H VAL A 107 8.849 -9.592 -24.971 1.00 75.01 H new ATOM 0 HA VAL A 107 6.169 -9.914 -26.076 1.00 61.12 H new ATOM 0 HB VAL A 107 8.552 -11.807 -26.166 1.00 11.11 H new ATOM 0 HG11 VAL A 107 7.389 -12.759 -28.114 1.00 22.41 H new ATOM 0 HG12 VAL A 107 6.403 -12.870 -26.637 1.00 22.41 H new ATOM 0 HG13 VAL A 107 6.039 -11.627 -27.857 1.00 22.41 H new ATOM 0 HG21 VAL A 107 8.985 -10.896 -28.412 1.00 1.13 H new ATOM 0 HG22 VAL A 107 7.702 -9.688 -28.165 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.163 -9.654 -27.149 1.00 1.13 H new ATOM 1720 N GLY A 108 5.297 -11.830 -24.671 1.00 3.25 N ATOM 1721 CA GLY A 108 4.725 -12.733 -23.690 1.00 34.24 C ATOM 1722 C GLY A 108 5.506 -14.028 -23.571 1.00 63.12 C ATOM 1723 O GLY A 108 6.056 -14.522 -24.554 1.00 74.34 O ATOM 0 H GLY A 108 4.689 -11.616 -25.462 1.00 3.25 H new ATOM 0 HA2 GLY A 108 4.696 -12.239 -22.719 1.00 34.24 H new ATOM 0 HA3 GLY A 108 3.694 -12.957 -23.964 1.00 34.24 H new ATOM 1727 N PHE A 109 5.554 -14.577 -22.361 1.00 65.53 N ATOM 1728 CA PHE A 109 6.275 -15.821 -22.116 1.00 34.22 C ATOM 1729 C PHE A 109 5.367 -16.855 -21.458 1.00 13.12 C ATOM 1730 O PHE A 109 4.377 -16.509 -20.813 1.00 33.42 O ATOM 1731 CB PHE A 109 7.496 -15.561 -21.231 1.00 43.33 C ATOM 1732 CG PHE A 109 8.687 -15.048 -21.988 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.281 -15.816 -22.976 1.00 64.54 C ATOM 1734 CD2 PHE A 109 9.212 -13.795 -21.713 1.00 74.21 C ATOM 1735 CE1 PHE A 109 10.377 -15.346 -23.674 1.00 30.44 C ATOM 1736 CE2 PHE A 109 10.308 -13.319 -22.408 1.00 22.11 C ATOM 1737 CZ PHE A 109 10.891 -14.095 -23.391 1.00 13.51 C ATOM 0 H PHE A 109 5.103 -14.181 -21.536 1.00 65.53 H new ATOM 0 HA PHE A 109 6.608 -16.215 -23.076 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.228 -14.840 -20.459 1.00 43.33 H new ATOM 0 HB3 PHE A 109 7.770 -16.485 -20.722 1.00 43.33 H new ATOM 0 HD1 PHE A 109 8.883 -16.794 -23.203 1.00 64.54 H new ATOM 0 HD2 PHE A 109 8.759 -13.183 -20.947 1.00 74.21 H new ATOM 0 HE1 PHE A 109 10.832 -15.956 -24.440 1.00 30.44 H new ATOM 0 HE2 PHE A 109 10.708 -12.341 -22.183 1.00 22.11 H new ATOM 0 HZ PHE A 109 11.746 -13.725 -23.937 1.00 13.51 H new ATOM 1747 N LYS A 110 5.710 -18.127 -21.626 1.00 53.10 N ATOM 1748 CA LYS A 110 4.928 -19.214 -21.048 1.00 31.01 C ATOM 1749 C LYS A 110 4.702 -18.990 -19.557 1.00 43.41 C ATOM 1750 O LYS A 110 5.412 -18.223 -18.906 1.00 73.41 O ATOM 1751 CB LYS A 110 5.634 -20.553 -21.272 1.00 1.21 C ATOM 1752 CG LYS A 110 5.224 -21.250 -22.558 1.00 30.45 C ATOM 1753 CD LYS A 110 6.207 -22.345 -22.936 1.00 25.15 C ATOM 1754 CE LYS A 110 6.112 -22.693 -24.414 1.00 71.12 C ATOM 1755 NZ LYS A 110 4.855 -23.425 -24.733 1.00 33.33 N ATOM 0 H LYS A 110 6.525 -18.431 -22.158 1.00 53.10 H new ATOM 0 HA LYS A 110 3.958 -19.234 -21.545 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.711 -20.388 -21.286 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.423 -21.211 -20.429 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.229 -21.678 -22.440 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.163 -20.520 -23.365 1.00 30.45 H new ATOM 0 HD2 LYS A 110 7.221 -22.022 -22.702 1.00 25.15 H new ATOM 0 HD3 LYS A 110 6.010 -23.235 -22.338 1.00 25.15 H new ATOM 0 HE2 LYS A 110 6.160 -21.779 -25.006 1.00 71.12 H new ATOM 0 HE3 LYS A 110 6.969 -23.303 -24.699 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 4.829 -23.643 -25.749 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 4.821 -24.310 -24.188 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 4.036 -22.834 -24.485 1.00 33.33 H new ATOM 1769 N PRO A 111 3.691 -19.674 -19.001 1.00 3.22 N ATOM 1770 CA PRO A 111 3.350 -19.566 -17.579 1.00 31.43 C ATOM 1771 C PRO A 111 4.405 -20.203 -16.681 1.00 53.03 C ATOM 1772 O PRO A 111 4.850 -19.598 -15.706 1.00 72.25 O ATOM 1773 CB PRO A 111 2.027 -20.328 -17.473 1.00 2.05 C ATOM 1774 CG PRO A 111 2.052 -21.291 -18.609 1.00 62.33 C ATOM 1775 CD PRO A 111 2.803 -20.605 -19.717 1.00 71.40 C ATOM 0 HA PRO A 111 3.287 -18.528 -17.252 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.944 -20.845 -16.517 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.174 -19.653 -17.545 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.543 -22.221 -18.322 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.041 -21.549 -18.924 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.368 -21.316 -20.320 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.129 -20.078 -20.393 1.00 71.40 H new ATOM 1783 N ALA A 112 4.800 -21.427 -17.016 1.00 62.44 N ATOM 1784 CA ALA A 112 5.805 -22.144 -16.240 1.00 52.52 C ATOM 1785 C ALA A 112 7.123 -21.378 -16.208 1.00 34.24 C ATOM 1786 O ALA A 112 7.812 -21.355 -15.189 1.00 74.33 O ATOM 1787 CB ALA A 112 6.016 -23.538 -16.811 1.00 45.03 C ATOM 0 H ALA A 112 4.440 -21.943 -17.819 1.00 62.44 H new ATOM 0 HA ALA A 112 5.442 -22.234 -15.216 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.769 -24.062 -16.222 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.078 -24.091 -16.776 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.353 -23.461 -17.845 1.00 45.03 H new ATOM 1793 N GLN A 113 7.467 -20.754 -17.330 1.00 34.25 N ATOM 1794 CA GLN A 113 8.705 -19.989 -17.429 1.00 42.12 C ATOM 1795 C GLN A 113 8.608 -18.693 -16.630 1.00 63.54 C ATOM 1796 O GLN A 113 9.497 -18.371 -15.840 1.00 30.03 O ATOM 1797 CB GLN A 113 9.021 -19.677 -18.893 1.00 62.35 C ATOM 1798 CG GLN A 113 9.114 -20.915 -19.771 1.00 53.13 C ATOM 1799 CD GLN A 113 10.187 -21.879 -19.308 1.00 30.34 C ATOM 1800 OE1 GLN A 113 11.292 -21.471 -18.948 1.00 1.43 O ATOM 1801 NE2 GLN A 113 9.868 -23.168 -19.316 1.00 31.33 N ATOM 0 H GLN A 113 6.907 -20.763 -18.182 1.00 34.25 H new ATOM 0 HA GLN A 113 9.511 -20.593 -17.012 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.250 -19.017 -19.290 1.00 62.35 H new ATOM 0 HB3 GLN A 113 9.964 -19.133 -18.945 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.151 -21.425 -19.777 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.321 -20.613 -20.798 1.00 53.13 H new ATOM 0 HE21 GLN A 113 8.940 -23.462 -19.622 1.00 31.33 H new ATOM 0 HE22 GLN A 113 10.550 -23.864 -19.016 1.00 31.33 H new ATOM 1810 N TYR A 114 7.526 -17.953 -16.841 1.00 74.31 N ATOM 1811 CA TYR A 114 7.315 -16.690 -16.143 1.00 32.54 C ATOM 1812 C TYR A 114 7.379 -16.886 -14.632 1.00 30.52 C ATOM 1813 O TYR A 114 7.982 -16.086 -13.917 1.00 21.43 O ATOM 1814 CB TYR A 114 5.965 -16.087 -16.534 1.00 52.21 C ATOM 1815 CG TYR A 114 5.947 -14.575 -16.509 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.895 -13.838 -17.208 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.982 -13.883 -15.786 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.883 -12.457 -17.187 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.962 -12.503 -15.761 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.915 -11.794 -16.463 1.00 74.52 C ATOM 1821 OH TYR A 114 5.899 -10.418 -16.441 1.00 24.42 O ATOM 0 H TYR A 114 6.781 -18.206 -17.490 1.00 74.31 H new ATOM 0 HA TYR A 114 8.110 -16.004 -16.436 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.700 -16.429 -17.535 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.199 -16.462 -15.856 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.654 -14.354 -17.777 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.235 -14.435 -15.234 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.628 -11.899 -17.735 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.205 -11.981 -15.195 1.00 0.14 H new ATOM 0 HH TYR A 114 5.153 -10.108 -15.886 1.00 24.42 H new ATOM 1831 N GLU A 115 6.753 -17.956 -14.153 1.00 14.02 N ATOM 1832 CA GLU A 115 6.739 -18.258 -12.726 1.00 22.21 C ATOM 1833 C GLU A 115 8.118 -18.703 -12.250 1.00 15.44 C ATOM 1834 O GLU A 115 8.643 -18.187 -11.263 1.00 4.40 O ATOM 1835 CB GLU A 115 5.706 -19.346 -12.422 1.00 5.22 C ATOM 1836 CG GLU A 115 4.309 -19.016 -12.920 1.00 30.50 C ATOM 1837 CD GLU A 115 3.345 -18.707 -11.791 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.799 -18.203 -10.744 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.135 -18.970 -11.957 1.00 14.10 O ATOM 0 H GLU A 115 6.249 -18.628 -14.732 1.00 14.02 H new ATOM 0 HA GLU A 115 6.466 -17.348 -12.191 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.032 -20.282 -12.876 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.669 -19.509 -11.345 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.360 -18.160 -13.593 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.926 -19.856 -13.500 1.00 30.50 H new ATOM 1846 N ALA A 116 8.700 -19.665 -12.959 1.00 50.22 N ATOM 1847 CA ALA A 116 10.018 -20.180 -12.611 1.00 4.31 C ATOM 1848 C ALA A 116 11.069 -19.075 -12.658 1.00 51.44 C ATOM 1849 O ALA A 116 12.107 -19.163 -12.002 1.00 72.23 O ATOM 1850 CB ALA A 116 10.404 -21.317 -13.544 1.00 54.13 C ATOM 0 H ALA A 116 8.279 -20.103 -13.778 1.00 50.22 H new ATOM 0 HA ALA A 116 9.974 -20.561 -11.591 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.391 -21.692 -13.272 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.674 -22.122 -13.458 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.424 -20.954 -14.571 1.00 54.13 H new ATOM 1856 N TYR A 117 10.793 -18.036 -13.438 1.00 54.32 N ATOM 1857 CA TYR A 117 11.716 -16.915 -13.573 1.00 43.12 C ATOM 1858 C TYR A 117 11.547 -15.928 -12.421 1.00 23.32 C ATOM 1859 O TYR A 117 12.498 -15.628 -11.701 1.00 72.22 O ATOM 1860 CB TYR A 117 11.493 -16.202 -14.907 1.00 24.03 C ATOM 1861 CG TYR A 117 12.368 -14.983 -15.096 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.752 -15.080 -15.032 1.00 22.44 C ATOM 1863 CD2 TYR A 117 11.809 -13.733 -15.336 1.00 53.14 C ATOM 1864 CE1 TYR A 117 14.556 -13.970 -15.202 1.00 40.30 C ATOM 1865 CE2 TYR A 117 12.605 -12.618 -15.509 1.00 11.13 C ATOM 1866 CZ TYR A 117 13.977 -12.740 -15.441 1.00 14.53 C ATOM 1867 OH TYR A 117 14.772 -11.630 -15.612 1.00 31.20 O ATOM 0 H TYR A 117 9.938 -17.946 -13.986 1.00 54.32 H new ATOM 0 HA TYR A 117 12.732 -17.308 -13.544 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.681 -16.903 -15.720 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.447 -15.903 -14.979 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.208 -16.041 -14.846 1.00 22.44 H new ATOM 0 HD2 TYR A 117 10.735 -13.632 -15.388 1.00 53.14 H new ATOM 0 HE1 TYR A 117 15.631 -14.064 -15.148 1.00 40.30 H new ATOM 0 HE2 TYR A 117 12.155 -11.654 -15.697 1.00 11.13 H new ATOM 0 HH TYR A 117 14.208 -10.845 -15.772 1.00 31.20 H new ATOM 1877 N PHE A 118 10.327 -15.428 -12.254 1.00 14.14 N ATOM 1878 CA PHE A 118 10.031 -14.475 -11.191 1.00 2.10 C ATOM 1879 C PHE A 118 10.271 -15.098 -9.819 1.00 23.32 C ATOM 1880 O PHE A 118 10.598 -14.403 -8.857 1.00 14.34 O ATOM 1881 CB PHE A 118 8.582 -13.993 -11.298 1.00 24.24 C ATOM 1882 CG PHE A 118 8.283 -12.800 -10.436 1.00 65.14 C ATOM 1883 CD1 PHE A 118 9.132 -11.706 -10.423 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.151 -12.773 -9.638 1.00 55.11 C ATOM 1885 CE1 PHE A 118 8.859 -10.608 -9.630 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.871 -11.677 -8.843 1.00 41.31 C ATOM 1887 CZ PHE A 118 7.727 -10.593 -8.839 1.00 31.03 C ATOM 0 H PHE A 118 9.528 -15.667 -12.841 1.00 14.14 H new ATOM 0 HA PHE A 118 10.700 -13.622 -11.305 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.366 -13.744 -12.337 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.914 -14.809 -11.020 1.00 24.24 H new ATOM 0 HD1 PHE A 118 10.018 -11.711 -11.040 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.479 -13.618 -9.637 1.00 55.11 H new ATOM 0 HE1 PHE A 118 9.530 -9.762 -9.629 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.985 -11.668 -8.226 1.00 41.31 H new ATOM 0 HZ PHE A 118 7.512 -9.736 -8.219 1.00 31.03 H new ATOM 1897 N LYS A 119 10.107 -16.414 -9.737 1.00 45.31 N ATOM 1898 CA LYS A 119 10.305 -17.134 -8.485 1.00 73.12 C ATOM 1899 C LYS A 119 11.742 -16.988 -7.995 1.00 53.44 C ATOM 1900 O LYS A 119 12.680 -16.949 -8.794 1.00 11.14 O ATOM 1901 CB LYS A 119 9.964 -18.615 -8.663 1.00 41.45 C ATOM 1902 CG LYS A 119 8.504 -18.939 -8.398 1.00 3.34 C ATOM 1903 CD LYS A 119 8.166 -18.819 -6.921 1.00 40.53 C ATOM 1904 CE LYS A 119 8.512 -20.091 -6.165 1.00 22.25 C ATOM 1905 NZ LYS A 119 9.940 -20.113 -5.739 1.00 11.40 N ATOM 0 H LYS A 119 9.837 -17.004 -10.524 1.00 45.31 H new ATOM 0 HA LYS A 119 9.639 -16.702 -7.738 1.00 73.12 H new ATOM 0 HB2 LYS A 119 10.216 -18.918 -9.679 1.00 41.45 H new ATOM 0 HB3 LYS A 119 10.586 -19.206 -7.991 1.00 41.45 H new ATOM 0 HG2 LYS A 119 7.870 -18.264 -8.973 1.00 3.34 H new ATOM 0 HG3 LYS A 119 8.287 -19.951 -8.741 1.00 3.34 H new ATOM 0 HD2 LYS A 119 8.710 -17.979 -6.489 1.00 40.53 H new ATOM 0 HD3 LYS A 119 7.104 -18.604 -6.806 1.00 40.53 H new ATOM 0 HE2 LYS A 119 7.870 -20.178 -5.288 1.00 22.25 H new ATOM 0 HE3 LYS A 119 8.308 -20.956 -6.797 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 10.014 -20.543 -4.795 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 10.496 -20.671 -6.418 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 10.308 -19.141 -5.707 1.00 11.40 H new ATOM 1919 N LEU A 120 11.910 -16.909 -6.680 1.00 51.43 N ATOM 1920 CA LEU A 120 13.234 -16.770 -6.084 1.00 62.11 C ATOM 1921 C LEU A 120 14.146 -17.917 -6.509 1.00 51.03 C ATOM 1922 O LEU A 120 15.358 -17.868 -6.304 1.00 22.42 O ATOM 1923 CB LEU A 120 13.127 -16.727 -4.559 1.00 40.12 C ATOM 1924 CG LEU A 120 12.949 -15.341 -3.938 1.00 62.42 C ATOM 1925 CD1 LEU A 120 12.793 -15.448 -2.429 1.00 62.14 C ATOM 1926 CD2 LEU A 120 14.126 -14.443 -4.291 1.00 30.24 C ATOM 0 H LEU A 120 11.145 -16.939 -6.006 1.00 51.43 H new ATOM 0 HA LEU A 120 13.668 -15.835 -6.438 1.00 62.11 H new ATOM 0 HB2 LEU A 120 12.285 -17.350 -4.256 1.00 40.12 H new ATOM 0 HB3 LEU A 120 14.025 -17.179 -4.139 1.00 40.12 H new ATOM 0 HG LEU A 120 12.042 -14.895 -4.346 1.00 62.42 H new ATOM 0 HD11 LEU A 120 12.667 -14.452 -2.005 1.00 62.14 H new ATOM 0 HD12 LEU A 120 11.918 -16.055 -2.196 1.00 62.14 H new ATOM 0 HD13 LEU A 120 13.682 -15.914 -2.004 1.00 62.14 H new ATOM 0 HD21 LEU A 120 13.982 -13.461 -3.841 1.00 30.24 H new ATOM 0 HD22 LEU A 120 15.047 -14.885 -3.912 1.00 30.24 H new ATOM 0 HD23 LEU A 120 14.193 -14.339 -5.374 1.00 30.24 H new TER 1938 LEU A 120